Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:10:13 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: ./TiH2.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 21 21 6 393 393 63 Max 23 23 7 395 395 65 Sum 769 769 235 14163 14163 2277 bravais-lattice index = 14 lattice parameter (alat) = 5.9104 a.u. unit-cell volume = 145.9978 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.910448 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Ti 12.00 47.86700 Ti( 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= 473 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 2) = ( 0.0069444 -0.0040094 0.0056701), wk = 0.0021142 k( 3) = ( 0.0138889 -0.0080188 0.0113402), wk = 0.0021142 k( 4) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0021142 k( 5) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0021142 k( 6) = ( 0.0347222 -0.0200469 0.0283506), wk = 0.0021142 k( 7) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0021142 k( 8) = ( 0.0486111 -0.0280656 0.0396908), wk = 0.0021142 k( 9) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0021142 k( 10) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0021142 k( 11) = ( 0.0694444 -0.0400938 0.0567011), wk = 0.0021142 k( 12) = ( 0.0763889 -0.0441031 0.0623713), wk = 0.0021142 k( 13) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0021142 k( 14) = ( 0.0902778 -0.0521219 0.0737115), wk = 0.0021142 k( 15) = ( 0.0972222 -0.0561313 0.0793816), wk = 0.0021142 k( 16) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0021142 k( 17) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0021142 k( 18) = ( 0.1180556 -0.0681594 0.0963920), wk = 0.0021142 k( 19) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0021142 k( 20) = ( 0.1319444 -0.0761782 0.1077322), wk = 0.0021142 k( 21) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0021142 k( 22) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0021142 k( 23) = ( 0.1527778 -0.0882063 0.1247425), wk = 0.0021142 k( 24) = ( 0.1597222 -0.0922157 0.1304126), wk = 0.0021142 k( 25) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0021142 k( 26) = ( 0.1736111 -0.1002344 0.1417529), wk = 0.0021142 k( 27) = ( 0.1805556 -0.1042438 0.1474230), wk = 0.0021142 k( 28) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0021142 k( 29) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0021142 k( 30) = ( 0.2013889 -0.1162719 0.1644333), wk = 0.0021142 k( 31) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0021142 k( 32) = ( 0.2152778 -0.1242907 0.1757736), wk = 0.0021142 k( 33) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0021142 k( 34) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0021142 k( 35) = ( 0.2361111 -0.1363188 0.1927839), wk = 0.0021142 k( 36) = ( 0.2430556 -0.1403282 0.1984540), wk = 0.0021142 k( 37) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0021142 k( 38) = ( 0.2569444 -0.1483469 0.2097943), wk = 0.0021142 k( 39) = ( 0.2638889 -0.1523563 0.2154644), wk = 0.0021142 k( 40) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0021142 k( 41) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0021142 k( 42) = ( 0.2847222 -0.1643845 0.2324747), wk = 0.0021142 k( 43) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0021142 k( 44) = ( 0.2986111 -0.1724032 0.2438150), wk = 0.0021142 k( 45) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0021142 k( 46) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0021142 k( 47) = ( 0.3194444 -0.1844313 0.2608253), wk = 0.0021142 k( 48) = ( 0.3263889 -0.1884407 0.2664954), wk = 0.0021142 k( 49) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0021142 k( 50) = ( 0.3402778 -0.1964595 0.2778356), wk = 0.0021142 k( 51) = ( 0.3472222 -0.2004688 0.2835058), wk = 0.0021142 k( 52) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0021142 k( 53) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0021142 k( 54) = ( 0.3680556 -0.2124970 0.3005161), wk = 0.0021142 k( 55) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0021142 k( 56) = ( 0.3819444 -0.2205157 0.3118563), wk = 0.0021142 k( 57) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0021142 k( 58) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0021142 k( 59) = ( 0.4027778 -0.2325439 0.3288667), wk = 0.0021142 k( 60) = ( 0.4097222 -0.2365532 0.3345368), wk = 0.0021142 k( 61) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0021142 k( 62) = ( 0.4236111 -0.2445720 0.3458770), wk = 0.0021142 k( 63) = ( 0.4305556 -0.2485814 0.3515471), wk = 0.0021142 k( 64) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0021142 k( 65) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0021142 k( 66) = ( 0.4513889 -0.2606095 0.3685575), wk = 0.0021142 k( 67) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0021142 k( 68) = ( 0.4652778 -0.2686283 0.3798977), wk = 0.0021142 k( 69) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0021142 k( 70) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0021142 k( 71) = ( 0.4861111 -0.2806564 0.3969081), wk = 0.0021142 k( 72) = ( 0.4930556 -0.2846658 0.4025782), wk = 0.0021142 k( 73) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021142 k( 74) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021142 k( 75) = ( 0.5000000 -0.2806564 0.4139184), wk = 0.0021142 k( 76) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0021142 k( 77) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0021142 k( 78) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0021142 k( 79) = ( 0.5000000 -0.2485814 0.4365989), wk = 0.0021142 k( 80) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0021142 k( 81) = ( 0.5000000 -0.2325439 0.4479391), wk = 0.0021142 k( 82) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0021142 k( 83) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0021142 k( 84) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0021142 k( 85) = ( 0.5000000 -0.2004688 0.4706196), wk = 0.0021142 k( 86) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0021142 k( 87) = ( 0.5000000 -0.1844313 0.4819598), wk = 0.0021142 k( 88) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0021142 k( 89) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0021142 k( 90) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0021142 k( 91) = ( 0.5000000 -0.1523563 0.5046403), wk = 0.0021142 k( 92) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0021142 k( 93) = ( 0.5000000 -0.1363188 0.5159805), wk = 0.0021142 k( 94) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0021142 k( 95) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0021142 k( 96) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0021142 k( 97) = ( 0.5000000 -0.1042438 0.5386609), wk = 0.0021142 k( 98) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0021142 k( 99) = ( 0.5000000 -0.0882063 0.5500012), wk = 0.0021142 k( 100) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0021142 k( 101) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0021142 k( 102) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0021142 k( 103) = ( 0.5000000 -0.0561313 0.5726816), wk = 0.0021142 k( 104) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0021142 k( 105) = ( 0.5000000 -0.0400938 0.5840219), wk = 0.0021142 k( 106) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0021142 k( 107) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0021142 k( 108) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0021142 k( 109) = ( 0.5000000 -0.0080187 0.6067023), wk = 0.0021142 k( 110) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021142 k( 111) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021142 k( 112) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0021142 k( 113) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0021142 k( 114) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0021142 k( 115) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0021142 k( 116) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0021142 k( 117) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0021142 k( 118) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0021142 k( 119) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0021142 k( 120) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0021142 k( 121) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0021142 k( 122) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0021142 k( 123) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0021142 k( 124) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0021142 k( 125) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0021142 k( 126) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0021142 k( 127) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0021142 k( 128) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0021142 k( 129) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0021142 k( 130) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0021142 k( 131) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0021142 k( 132) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0021142 k( 133) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0021142 k( 134) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0021142 k( 135) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0021142 k( 136) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0021142 k( 137) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021142 k( 138) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021142 k( 139) = ( 0.3700658 0.2136576 0.6043149), wk = 0.0021142 k( 140) = ( 0.3651316 0.2108088 0.5962574), wk = 0.0021142 k( 141) = ( 0.3601974 0.2079600 0.5881998), wk = 0.0021142 k( 142) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0021142 k( 143) = ( 0.3503289 0.2022625 0.5720848), wk = 0.0021142 k( 144) = ( 0.3453947 0.1994137 0.5640272), wk = 0.0021142 k( 145) = ( 0.3404605 0.1965650 0.5559697), wk = 0.0021142 k( 146) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0021142 k( 147) = ( 0.3305921 0.1908674 0.5398546), wk = 0.0021142 k( 148) = ( 0.3256579 0.1880187 0.5317971), wk = 0.0021142 k( 149) = ( 0.3207237 0.1851699 0.5237396), wk = 0.0021142 k( 150) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0021142 k( 151) = ( 0.3108553 0.1794724 0.5076245), wk = 0.0021142 k( 152) = ( 0.3059211 0.1766236 0.4995670), wk = 0.0021142 k( 153) = ( 0.3009868 0.1737748 0.4915095), wk = 0.0021142 k( 154) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0021142 k( 155) = ( 0.2911184 0.1680773 0.4753944), wk = 0.0021142 k( 156) = ( 0.2861842 0.1652285 0.4673369), wk = 0.0021142 k( 157) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0021142 k( 158) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0021142 k( 159) = ( 0.2713816 0.1566822 0.4431643), wk = 0.0021142 k( 160) = ( 0.2664474 0.1538335 0.4351067), wk = 0.0021142 k( 161) = ( 0.2615132 0.1509847 0.4270492), wk = 0.0021142 k( 162) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0021142 k( 163) = ( 0.2516447 0.1452872 0.4109341), wk = 0.0021142 k( 164) = ( 0.2467105 0.1424384 0.4028766), wk = 0.0021142 k( 165) = ( 0.2417763 0.1395896 0.3948191), wk = 0.0021142 k( 166) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0021142 k( 167) = ( 0.2319079 0.1338921 0.3787040), wk = 0.0021142 k( 168) = ( 0.2269737 0.1310433 0.3706465), wk = 0.0021142 k( 169) = ( 0.2220395 0.1281945 0.3625889), wk = 0.0021142 k( 170) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0021142 k( 171) = ( 0.2121710 0.1224970 0.3464739), wk = 0.0021142 k( 172) = ( 0.2072368 0.1196482 0.3384163), wk = 0.0021142 k( 173) = ( 0.2023026 0.1167995 0.3303588), wk = 0.0021142 k( 174) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0021142 k( 175) = ( 0.1924342 0.1111019 0.3142437), wk = 0.0021142 k( 176) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0021142 k( 177) = ( 0.1825658 0.1054044 0.2981287), wk = 0.0021142 k( 178) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0021142 k( 179) = ( 0.1726974 0.0997069 0.2820136), wk = 0.0021142 k( 180) = ( 0.1677632 0.0968581 0.2739561), wk = 0.0021142 k( 181) = ( 0.1628290 0.0940093 0.2658985), wk = 0.0021142 k( 182) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0021142 k( 183) = ( 0.1529605 0.0883118 0.2497835), wk = 0.0021142 k( 184) = ( 0.1480263 0.0854630 0.2417260), wk = 0.0021142 k( 185) = ( 0.1430921 0.0826143 0.2336684), wk = 0.0021142 k( 186) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0021142 k( 187) = ( 0.1332237 0.0769167 0.2175534), wk = 0.0021142 k( 188) = ( 0.1282895 0.0740680 0.2094958), wk = 0.0021142 k( 189) = ( 0.1233553 0.0712192 0.2014383), wk = 0.0021142 k( 190) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0021142 k( 191) = ( 0.1134868 0.0655217 0.1853232), wk = 0.0021142 k( 192) = ( 0.1085526 0.0626729 0.1772657), wk = 0.0021142 k( 193) = ( 0.1036184 0.0598241 0.1692082), wk = 0.0021142 k( 194) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0021142 k( 195) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0021142 k( 196) = ( 0.0888158 0.0512778 0.1450356), wk = 0.0021142 k( 197) = ( 0.0838816 0.0484291 0.1369780), wk = 0.0021142 k( 198) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0021142 k( 199) = ( 0.0740132 0.0427315 0.1208630), wk = 0.0021142 k( 200) = ( 0.0690790 0.0398828 0.1128054), wk = 0.0021142 k( 201) = ( 0.0641447 0.0370340 0.1047479), wk = 0.0021142 k( 202) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0021142 k( 203) = ( 0.0542763 0.0313364 0.0886328), wk = 0.0021142 k( 204) = ( 0.0493421 0.0284877 0.0805753), wk = 0.0021142 k( 205) = ( 0.0444079 0.0256389 0.0725178), wk = 0.0021142 k( 206) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0021142 k( 207) = ( 0.0345395 0.0199414 0.0564027), wk = 0.0021142 k( 208) = ( 0.0296053 0.0170926 0.0483452), wk = 0.0021142 k( 209) = ( 0.0246710 0.0142438 0.0402877), wk = 0.0021142 k( 210) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0021142 k( 211) = ( 0.0148026 0.0085463 0.0241726), wk = 0.0021142 k( 212) = ( 0.0098684 0.0056975 0.0161151), wk = 0.0021142 k( 213) = ( 0.0049342 0.0028488 0.0080575), wk = 0.0021142 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 216) = ( 0.0080645 0.0046561 0.0032923), wk = 0.0021142 k( 217) = ( 0.0161290 0.0093121 0.0065846), wk = 0.0021142 k( 218) = ( 0.0241936 0.0139682 0.0098770), wk = 0.0021142 k( 219) = ( 0.0322581 0.0186242 0.0131693), wk = 0.0021142 k( 220) = ( 0.0403226 0.0232803 0.0164616), wk = 0.0021142 k( 221) = ( 0.0483871 0.0279363 0.0197540), wk = 0.0021142 k( 222) = ( 0.0564516 0.0325924 0.0230463), wk = 0.0021142 k( 223) = ( 0.0645161 0.0372484 0.0263386), wk = 0.0021142 k( 224) = ( 0.0725806 0.0419045 0.0296309), wk = 0.0021142 k( 225) = ( 0.0806452 0.0465605 0.0329232), wk = 0.0021142 k( 226) = ( 0.0887097 0.0512166 0.0362156), wk = 0.0021142 k( 227) = ( 0.0967742 0.0558726 0.0395079), wk = 0.0021142 k( 228) = ( 0.1048387 0.0605287 0.0428002), wk = 0.0021142 k( 229) = ( 0.1129032 0.0651847 0.0460926), wk = 0.0021142 k( 230) = ( 0.1209677 0.0698408 0.0493849), wk = 0.0021142 k( 231) = ( 0.1290323 0.0744968 0.0526772), wk = 0.0021142 k( 232) = ( 0.1370968 0.0791529 0.0559695), wk = 0.0021142 k( 233) = ( 0.1451613 0.0838089 0.0592618), wk = 0.0021142 k( 234) = ( 0.1532258 0.0884650 0.0625542), wk = 0.0021142 k( 235) = ( 0.1612903 0.0931210 0.0658465), wk = 0.0021142 k( 236) = ( 0.1693548 0.0977771 0.0691388), wk = 0.0021142 k( 237) = ( 0.1774194 0.1024331 0.0724311), wk = 0.0021142 k( 238) = ( 0.1854839 0.1070892 0.0757235), wk = 0.0021142 k( 239) = ( 0.1935484 0.1117452 0.0790158), wk = 0.0021142 k( 240) = ( 0.2016129 0.1164013 0.0823081), wk = 0.0021142 k( 241) = ( 0.2096774 0.1210573 0.0856004), wk = 0.0021142 k( 242) = ( 0.2177419 0.1257134 0.0888928), wk = 0.0021142 k( 243) = ( 0.2258064 0.1303694 0.0921851), wk = 0.0021142 k( 244) = ( 0.2338710 0.1350255 0.0954774), wk = 0.0021142 k( 245) = ( 0.2419355 0.1396815 0.0987697), wk = 0.0021142 k( 246) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0021142 k( 247) = ( 0.2580645 0.1489936 0.1053544), wk = 0.0021142 k( 248) = ( 0.2661290 0.1536497 0.1086467), wk = 0.0021142 k( 249) = ( 0.2741936 0.1583057 0.1119390), wk = 0.0021142 k( 250) = ( 0.2822581 0.1629618 0.1152314), wk = 0.0021142 k( 251) = ( 0.2903226 0.1676178 0.1185237), wk = 0.0021142 k( 252) = ( 0.2983871 0.1722739 0.1218160), wk = 0.0021142 k( 253) = ( 0.3064516 0.1769299 0.1251083), wk = 0.0021142 k( 254) = ( 0.3145161 0.1815860 0.1284007), wk = 0.0021142 k( 255) = ( 0.3225807 0.1862420 0.1316930), wk = 0.0021142 k( 256) = ( 0.3306452 0.1908981 0.1349853), wk = 0.0021142 k( 257) = ( 0.3387097 0.1955541 0.1382776), wk = 0.0021142 k( 258) = ( 0.3467742 0.2002102 0.1415700), wk = 0.0021142 k( 259) = ( 0.3548387 0.2048662 0.1448623), wk = 0.0021142 k( 260) = ( 0.3629032 0.2095223 0.1481546), wk = 0.0021142 k( 261) = ( 0.3709677 0.2141783 0.1514469), wk = 0.0021142 k( 262) = ( 0.3790323 0.2188344 0.1547393), wk = 0.0021142 k( 263) = ( 0.3870968 0.2234904 0.1580316), wk = 0.0021142 k( 264) = ( 0.3951613 0.2281465 0.1613239), wk = 0.0021142 k( 265) = ( 0.4032258 0.2328025 0.1646162), wk = 0.0021142 k( 266) = ( 0.4112903 0.2374586 0.1679086), wk = 0.0021142 k( 267) = ( 0.4193548 0.2421146 0.1712009), wk = 0.0021142 k( 268) = ( 0.4274193 0.2467707 0.1744932), wk = 0.0021142 k( 269) = ( 0.4354839 0.2514267 0.1777855), wk = 0.0021142 k( 270) = ( 0.4435484 0.2560828 0.1810779), wk = 0.0021142 k( 271) = ( 0.4516129 0.2607388 0.1843702), wk = 0.0021142 k( 272) = ( 0.4596774 0.2653949 0.1876625), wk = 0.0021142 k( 273) = ( 0.4677419 0.2700509 0.1909548), wk = 0.0021142 k( 274) = ( 0.4758064 0.2747070 0.1942472), wk = 0.0021142 k( 275) = ( 0.4838710 0.2793630 0.1975395), wk = 0.0021142 k( 276) = ( 0.4919355 0.2840191 0.2008318), wk = 0.0021142 k( 277) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021142 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021142 k( 279) = ( 0.5028409 0.2804741 0.2087633), wk = 0.0021142 k( 280) = ( 0.5056818 0.2722731 0.2134025), wk = 0.0021142 k( 281) = ( 0.5085227 0.2640721 0.2180417), wk = 0.0021142 k( 282) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0021142 k( 283) = ( 0.5142045 0.2476701 0.2273201), wk = 0.0021142 k( 284) = ( 0.5170455 0.2394691 0.2319593), wk = 0.0021142 k( 285) = ( 0.5198864 0.2312681 0.2365984), wk = 0.0021142 k( 286) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0021142 k( 287) = ( 0.5255682 0.2148662 0.2458768), wk = 0.0021142 k( 288) = ( 0.5284091 0.2066652 0.2505160), wk = 0.0021142 k( 289) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0021142 k( 290) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0021142 k( 291) = ( 0.5369318 0.1820622 0.2644336), wk = 0.0021142 k( 292) = ( 0.5397727 0.1738612 0.2690727), wk = 0.0021142 k( 293) = ( 0.5426136 0.1656602 0.2737119), wk = 0.0021142 k( 294) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0021142 k( 295) = ( 0.5482955 0.1492582 0.2829903), wk = 0.0021142 k( 296) = ( 0.5511364 0.1410572 0.2876295), wk = 0.0021142 k( 297) = ( 0.5539773 0.1328562 0.2922687), wk = 0.0021142 k( 298) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0021142 k( 299) = ( 0.5596591 0.1164542 0.3015470), wk = 0.0021142 k( 300) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0021142 k( 301) = ( 0.5653409 0.1000522 0.3108254), wk = 0.0021142 k( 302) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0021142 k( 303) = ( 0.5710227 0.0836502 0.3201038), wk = 0.0021142 k( 304) = ( 0.5738636 0.0754492 0.3247430), wk = 0.0021142 k( 305) = ( 0.5767045 0.0672482 0.3293821), wk = 0.0021142 k( 306) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0021142 k( 307) = ( 0.5823864 0.0508462 0.3386605), wk = 0.0021142 k( 308) = ( 0.5852273 0.0426452 0.3432997), wk = 0.0021142 k( 309) = ( 0.5880682 0.0344442 0.3479389), wk = 0.0021142 k( 310) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0021142 k( 311) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0021142 k( 312) = ( 0.5965909 0.0098412 0.3618564), wk = 0.0021142 k( 313) = ( 0.5994318 0.0016402 0.3664956), wk = 0.0021142 k( 314) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0021142 k( 315) = ( 0.6051136 -0.0147618 0.3757740), wk = 0.0021142 k( 316) = ( 0.6079545 -0.0229628 0.3804132), wk = 0.0021142 k( 317) = ( 0.6107955 -0.0311638 0.3850524), wk = 0.0021142 k( 318) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0021142 k( 319) = ( 0.6164773 -0.0475658 0.3943307), wk = 0.0021142 k( 320) = ( 0.6193182 -0.0557668 0.3989699), wk = 0.0021142 k( 321) = ( 0.6221591 -0.0639678 0.4036091), wk = 0.0021142 k( 322) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021142 k( 323) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021142 k( 324) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0021142 k( 325) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0021142 k( 326) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0021142 k( 327) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0021142 k( 328) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0021142 k( 329) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0021142 k( 330) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0021142 k( 331) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0021142 k( 332) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0021142 k( 333) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0021142 k( 334) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0021142 k( 335) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0021142 k( 336) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0021142 k( 337) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0021142 k( 338) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0021142 k( 339) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0021142 k( 340) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0021142 k( 341) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0021142 k( 342) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0021142 k( 343) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0021142 k( 344) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0021142 k( 345) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0021142 k( 346) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0021142 k( 347) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0021142 k( 348) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0021142 k( 349) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021142 k( 350) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021142 k( 351) = ( 0.5000000 0.0056603 0.6043676), wk = 0.0021142 k( 352) = ( 0.5000000 0.0113206 0.5963627), wk = 0.0021142 k( 353) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0021142 k( 354) = ( 0.5000000 0.0226412 0.5803530), wk = 0.0021142 k( 355) = ( 0.5000000 0.0283015 0.5723481), wk = 0.0021142 k( 356) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0021142 k( 357) = ( 0.5000000 0.0396221 0.5563383), wk = 0.0021142 k( 358) = ( 0.5000000 0.0452824 0.5483335), wk = 0.0021142 k( 359) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0021142 k( 360) = ( 0.5000000 0.0566030 0.5323237), wk = 0.0021142 k( 361) = ( 0.5000000 0.0622633 0.5243189), wk = 0.0021142 k( 362) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0021142 k( 363) = ( 0.5000000 0.0735839 0.5083091), wk = 0.0021142 k( 364) = ( 0.5000000 0.0792442 0.5003043), wk = 0.0021142 k( 365) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0021142 k( 366) = ( 0.5000000 0.0905647 0.4842945), wk = 0.0021142 k( 367) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0021142 k( 368) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0021142 k( 369) = ( 0.5000000 0.1075456 0.4602799), wk = 0.0021142 k( 370) = ( 0.5000000 0.1132059 0.4522751), wk = 0.0021142 k( 371) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0021142 k( 372) = ( 0.5000000 0.1245265 0.4362653), wk = 0.0021142 k( 373) = ( 0.5000000 0.1301868 0.4282605), wk = 0.0021142 k( 374) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0021142 k( 375) = ( 0.5000000 0.1415074 0.4122507), wk = 0.0021142 k( 376) = ( 0.5000000 0.1471677 0.4042459), wk = 0.0021142 k( 377) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0021142 k( 378) = ( 0.5000000 0.1584883 0.3882361), wk = 0.0021142 k( 379) = ( 0.5000000 0.1641486 0.3802313), wk = 0.0021142 k( 380) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0021142 k( 381) = ( 0.5000000 0.1754692 0.3642215), wk = 0.0021142 k( 382) = ( 0.5000000 0.1811295 0.3562166), wk = 0.0021142 k( 383) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0021142 k( 384) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0021142 k( 385) = ( 0.5000000 0.1981104 0.3322020), wk = 0.0021142 k( 386) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0021142 k( 387) = ( 0.5000000 0.2094310 0.3161923), wk = 0.0021142 k( 388) = ( 0.5000000 0.2150913 0.3081874), wk = 0.0021142 k( 389) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0021142 k( 390) = ( 0.5000000 0.2264119 0.2921777), wk = 0.0021142 k( 391) = ( 0.5000000 0.2320722 0.2841728), wk = 0.0021142 k( 392) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0021142 k( 393) = ( 0.5000000 0.2433928 0.2681631), wk = 0.0021142 k( 394) = ( 0.5000000 0.2490531 0.2601582), wk = 0.0021142 k( 395) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0021142 k( 396) = ( 0.5000000 0.2603737 0.2441485), wk = 0.0021142 k( 397) = ( 0.5000000 0.2660340 0.2361436), wk = 0.0021142 k( 398) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0021142 k( 399) = ( 0.5000000 0.2773545 0.2201339), wk = 0.0021142 k( 400) = ( 0.5000000 0.2830148 0.2121290), wk = 0.0021142 k( 401) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021142 k( 402) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021142 k( 403) = ( 0.4971591 0.2870349 0.2134025), wk = 0.0021142 k( 404) = ( 0.4943182 0.2853947 0.2226809), wk = 0.0021142 k( 405) = ( 0.4914773 0.2837545 0.2319593), wk = 0.0021142 k( 406) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0021142 k( 407) = ( 0.4857955 0.2804741 0.2505160), wk = 0.0021142 k( 408) = ( 0.4829545 0.2788339 0.2597944), wk = 0.0021142 k( 409) = ( 0.4801136 0.2771937 0.2690727), wk = 0.0021142 k( 410) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0021142 k( 411) = ( 0.4744318 0.2739133 0.2876295), wk = 0.0021142 k( 412) = ( 0.4715909 0.2722731 0.2969078), wk = 0.0021142 k( 413) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0021142 k( 414) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0021142 k( 415) = ( 0.4630682 0.2673525 0.3247430), wk = 0.0021142 k( 416) = ( 0.4602273 0.2657123 0.3340213), wk = 0.0021142 k( 417) = ( 0.4573864 0.2640721 0.3432997), wk = 0.0021142 k( 418) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0021142 k( 419) = ( 0.4517045 0.2607917 0.3618564), wk = 0.0021142 k( 420) = ( 0.4488636 0.2591515 0.3711348), wk = 0.0021142 k( 421) = ( 0.4460227 0.2575113 0.3804132), wk = 0.0021142 k( 422) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0021142 k( 423) = ( 0.4403409 0.2542309 0.3989699), wk = 0.0021142 k( 424) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0021142 k( 425) = ( 0.4346591 0.2509505 0.4175267), wk = 0.0021142 k( 426) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0021142 k( 427) = ( 0.4289773 0.2476701 0.4360834), wk = 0.0021142 k( 428) = ( 0.4261364 0.2460299 0.4453618), wk = 0.0021142 k( 429) = ( 0.4232955 0.2443897 0.4546401), wk = 0.0021142 k( 430) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0021142 k( 431) = ( 0.4176136 0.2411093 0.4731969), wk = 0.0021142 k( 432) = ( 0.4147727 0.2394691 0.4824753), wk = 0.0021142 k( 433) = ( 0.4119318 0.2378289 0.4917536), wk = 0.0021142 k( 434) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0021142 k( 435) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0021142 k( 436) = ( 0.4034091 0.2329083 0.5195887), wk = 0.0021142 k( 437) = ( 0.4005682 0.2312681 0.5288671), wk = 0.0021142 k( 438) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0021142 k( 439) = ( 0.3948864 0.2279877 0.5474238), wk = 0.0021142 k( 440) = ( 0.3920455 0.2263475 0.5567022), wk = 0.0021142 k( 441) = ( 0.3892045 0.2247074 0.5659806), wk = 0.0021142 k( 442) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0021142 k( 443) = ( 0.3835227 0.2214270 0.5845373), wk = 0.0021142 k( 444) = ( 0.3806818 0.2197868 0.5938157), wk = 0.0021142 k( 445) = ( 0.3778409 0.2181466 0.6030941), wk = 0.0021142 k( 446) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021142 k( 447) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021142 k( 448) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0021142 k( 449) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0021142 k( 450) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0021142 k( 451) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0021142 k( 452) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0021142 k( 453) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0021142 k( 454) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0021142 k( 455) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0021142 k( 456) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0021142 k( 457) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0021142 k( 458) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0021142 k( 459) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0021142 k( 460) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0021142 k( 461) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0021142 k( 462) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0021142 k( 463) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0021142 k( 464) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0021142 k( 465) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0021142 k( 466) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0021142 k( 467) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0021142 k( 468) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0021142 k( 469) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0021142 k( 470) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0021142 k( 471) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0021142 k( 472) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0021142 k( 473) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021142 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 2) = ( 0.0069444 0.0000000 0.0069444), wk = 0.0021142 k( 3) = ( 0.0138889 0.0000000 0.0138889), wk = 0.0021142 k( 4) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0021142 k( 5) = ( 0.0277778 0.0000000 0.0277778), wk = 0.0021142 k( 6) = ( 0.0347222 0.0000000 0.0347222), wk = 0.0021142 k( 7) = ( 0.0416667 0.0000000 0.0416667), wk = 0.0021142 k( 8) = ( 0.0486111 0.0000000 0.0486111), wk = 0.0021142 k( 9) = ( 0.0555556 0.0000000 0.0555556), wk = 0.0021142 k( 10) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0021142 k( 11) = ( 0.0694444 0.0000000 0.0694444), wk = 0.0021142 k( 12) = ( 0.0763889 0.0000000 0.0763889), wk = 0.0021142 k( 13) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0021142 k( 14) = ( 0.0902778 0.0000000 0.0902778), wk = 0.0021142 k( 15) = ( 0.0972222 0.0000000 0.0972222), wk = 0.0021142 k( 16) = ( 0.1041667 0.0000000 0.1041667), wk = 0.0021142 k( 17) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0021142 k( 18) = ( 0.1180556 0.0000000 0.1180556), wk = 0.0021142 k( 19) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0021142 k( 20) = ( 0.1319444 0.0000000 0.1319444), wk = 0.0021142 k( 21) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0021142 k( 22) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0021142 k( 23) = ( 0.1527778 0.0000000 0.1527778), wk = 0.0021142 k( 24) = ( 0.1597222 0.0000000 0.1597222), wk = 0.0021142 k( 25) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0021142 k( 26) = ( 0.1736111 0.0000000 0.1736111), wk = 0.0021142 k( 27) = ( 0.1805556 0.0000000 0.1805556), wk = 0.0021142 k( 28) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0021142 k( 29) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0021142 k( 30) = ( 0.2013889 0.0000000 0.2013889), wk = 0.0021142 k( 31) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0021142 k( 32) = ( 0.2152778 0.0000000 0.2152778), wk = 0.0021142 k( 33) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0021142 k( 34) = ( 0.2291667 0.0000000 0.2291667), wk = 0.0021142 k( 35) = ( 0.2361111 0.0000000 0.2361111), wk = 0.0021142 k( 36) = ( 0.2430556 0.0000000 0.2430556), wk = 0.0021142 k( 37) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0021142 k( 38) = ( 0.2569444 0.0000000 0.2569444), wk = 0.0021142 k( 39) = ( 0.2638889 0.0000000 0.2638889), wk = 0.0021142 k( 40) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0021142 k( 41) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0021142 k( 42) = ( 0.2847222 0.0000000 0.2847222), wk = 0.0021142 k( 43) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0021142 k( 44) = ( 0.2986111 0.0000000 0.2986111), wk = 0.0021142 k( 45) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0021142 k( 46) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0021142 k( 47) = ( 0.3194444 0.0000000 0.3194444), wk = 0.0021142 k( 48) = ( 0.3263889 0.0000000 0.3263889), wk = 0.0021142 k( 49) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0021142 k( 50) = ( 0.3402778 0.0000000 0.3402778), wk = 0.0021142 k( 51) = ( 0.3472222 0.0000000 0.3472222), wk = 0.0021142 k( 52) = ( 0.3541667 0.0000000 0.3541667), wk = 0.0021142 k( 53) = ( 0.3611111 0.0000000 0.3611111), wk = 0.0021142 k( 54) = ( 0.3680556 0.0000000 0.3680556), wk = 0.0021142 k( 55) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0021142 k( 56) = ( 0.3819444 0.0000000 0.3819444), wk = 0.0021142 k( 57) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0021142 k( 58) = ( 0.3958333 0.0000000 0.3958333), wk = 0.0021142 k( 59) = ( 0.4027778 0.0000000 0.4027778), wk = 0.0021142 k( 60) = ( 0.4097222 0.0000000 0.4097222), wk = 0.0021142 k( 61) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0021142 k( 62) = ( 0.4236111 0.0000000 0.4236111), wk = 0.0021142 k( 63) = ( 0.4305556 0.0000000 0.4305556), wk = 0.0021142 k( 64) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0021142 k( 65) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0021142 k( 66) = ( 0.4513889 0.0000000 0.4513889), wk = 0.0021142 k( 67) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0021142 k( 68) = ( 0.4652778 0.0000000 0.4652778), wk = 0.0021142 k( 69) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0021142 k( 70) = ( 0.4791667 0.0000000 0.4791667), wk = 0.0021142 k( 71) = ( 0.4861111 0.0000000 0.4861111), wk = 0.0021142 k( 72) = ( 0.4930556 0.0000000 0.4930556), wk = 0.0021142 k( 73) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021142 k( 74) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021142 k( 75) = ( 0.5000000 0.0069444 0.5069444), wk = 0.0021142 k( 76) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0021142 k( 77) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0021142 k( 78) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0021142 k( 79) = ( 0.5000000 0.0347222 0.5347222), wk = 0.0021142 k( 80) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0021142 k( 81) = ( 0.5000000 0.0486111 0.5486111), wk = 0.0021142 k( 82) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0021142 k( 83) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0021142 k( 84) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0021142 k( 85) = ( 0.5000000 0.0763889 0.5763889), wk = 0.0021142 k( 86) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0021142 k( 87) = ( 0.5000000 0.0902778 0.5902778), wk = 0.0021142 k( 88) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0021142 k( 89) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0021142 k( 90) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0021142 k( 91) = ( 0.5000000 0.1180556 0.6180556), wk = 0.0021142 k( 92) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0021142 k( 93) = ( 0.5000000 0.1319444 0.6319444), wk = 0.0021142 k( 94) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0021142 k( 95) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0021142 k( 96) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0021142 k( 97) = ( 0.5000000 0.1597222 0.6597222), wk = 0.0021142 k( 98) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0021142 k( 99) = ( 0.5000000 0.1736111 0.6736111), wk = 0.0021142 k( 100) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0021142 k( 101) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0021142 k( 102) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0021142 k( 103) = ( 0.5000000 0.2013889 0.7013889), wk = 0.0021142 k( 104) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0021142 k( 105) = ( 0.5000000 0.2152778 0.7152778), wk = 0.0021142 k( 106) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0021142 k( 107) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0021142 k( 108) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0021142 k( 109) = ( 0.5000000 0.2430556 0.7430556), wk = 0.0021142 k( 110) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021142 k( 111) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021142 k( 112) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0021142 k( 113) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0021142 k( 114) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0021142 k( 115) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0021142 k( 116) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0021142 k( 117) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0021142 k( 118) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0021142 k( 119) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0021142 k( 120) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0021142 k( 121) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0021142 k( 122) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0021142 k( 123) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0021142 k( 124) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0021142 k( 125) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0021142 k( 126) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0021142 k( 127) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0021142 k( 128) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0021142 k( 129) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0021142 k( 130) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0021142 k( 131) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0021142 k( 132) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0021142 k( 133) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0021142 k( 134) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0021142 k( 135) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0021142 k( 136) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0021142 k( 137) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021142 k( 138) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021142 k( 139) = ( 0.3700658 0.3700658 0.7401316), wk = 0.0021142 k( 140) = ( 0.3651316 0.3651316 0.7302632), wk = 0.0021142 k( 141) = ( 0.3601974 0.3601974 0.7203947), wk = 0.0021142 k( 142) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0021142 k( 143) = ( 0.3503289 0.3503289 0.7006579), wk = 0.0021142 k( 144) = ( 0.3453947 0.3453947 0.6907895), wk = 0.0021142 k( 145) = ( 0.3404605 0.3404605 0.6809211), wk = 0.0021142 k( 146) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0021142 k( 147) = ( 0.3305921 0.3305921 0.6611842), wk = 0.0021142 k( 148) = ( 0.3256579 0.3256579 0.6513158), wk = 0.0021142 k( 149) = ( 0.3207237 0.3207237 0.6414474), wk = 0.0021142 k( 150) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0021142 k( 151) = ( 0.3108553 0.3108553 0.6217105), wk = 0.0021142 k( 152) = ( 0.3059211 0.3059211 0.6118421), wk = 0.0021142 k( 153) = ( 0.3009868 0.3009868 0.6019737), wk = 0.0021142 k( 154) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0021142 k( 155) = ( 0.2911184 0.2911184 0.5822368), wk = 0.0021142 k( 156) = ( 0.2861842 0.2861842 0.5723684), wk = 0.0021142 k( 157) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0021142 k( 158) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0021142 k( 159) = ( 0.2713816 0.2713816 0.5427632), wk = 0.0021142 k( 160) = ( 0.2664474 0.2664474 0.5328947), wk = 0.0021142 k( 161) = ( 0.2615132 0.2615132 0.5230263), wk = 0.0021142 k( 162) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0021142 k( 163) = ( 0.2516447 0.2516447 0.5032895), wk = 0.0021142 k( 164) = ( 0.2467105 0.2467105 0.4934211), wk = 0.0021142 k( 165) = ( 0.2417763 0.2417763 0.4835526), wk = 0.0021142 k( 166) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0021142 k( 167) = ( 0.2319079 0.2319079 0.4638158), wk = 0.0021142 k( 168) = ( 0.2269737 0.2269737 0.4539474), wk = 0.0021142 k( 169) = ( 0.2220395 0.2220395 0.4440789), wk = 0.0021142 k( 170) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0021142 k( 171) = ( 0.2121710 0.2121710 0.4243421), wk = 0.0021142 k( 172) = ( 0.2072368 0.2072368 0.4144737), wk = 0.0021142 k( 173) = ( 0.2023026 0.2023026 0.4046053), wk = 0.0021142 k( 174) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0021142 k( 175) = ( 0.1924342 0.1924342 0.3848684), wk = 0.0021142 k( 176) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0021142 k( 177) = ( 0.1825658 0.1825658 0.3651316), wk = 0.0021142 k( 178) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0021142 k( 179) = ( 0.1726974 0.1726974 0.3453947), wk = 0.0021142 k( 180) = ( 0.1677632 0.1677632 0.3355263), wk = 0.0021142 k( 181) = ( 0.1628290 0.1628290 0.3256579), wk = 0.0021142 k( 182) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0021142 k( 183) = ( 0.1529605 0.1529605 0.3059211), wk = 0.0021142 k( 184) = ( 0.1480263 0.1480263 0.2960526), wk = 0.0021142 k( 185) = ( 0.1430921 0.1430921 0.2861842), wk = 0.0021142 k( 186) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0021142 k( 187) = ( 0.1332237 0.1332237 0.2664474), wk = 0.0021142 k( 188) = ( 0.1282895 0.1282895 0.2565789), wk = 0.0021142 k( 189) = ( 0.1233553 0.1233553 0.2467105), wk = 0.0021142 k( 190) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0021142 k( 191) = ( 0.1134868 0.1134868 0.2269737), wk = 0.0021142 k( 192) = ( 0.1085526 0.1085526 0.2171053), wk = 0.0021142 k( 193) = ( 0.1036184 0.1036184 0.2072368), wk = 0.0021142 k( 194) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0021142 k( 195) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0021142 k( 196) = ( 0.0888158 0.0888158 0.1776316), wk = 0.0021142 k( 197) = ( 0.0838816 0.0838816 0.1677632), wk = 0.0021142 k( 198) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0021142 k( 199) = ( 0.0740132 0.0740132 0.1480263), wk = 0.0021142 k( 200) = ( 0.0690790 0.0690790 0.1381579), wk = 0.0021142 k( 201) = ( 0.0641447 0.0641447 0.1282895), wk = 0.0021142 k( 202) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0021142 k( 203) = ( 0.0542763 0.0542763 0.1085526), wk = 0.0021142 k( 204) = ( 0.0493421 0.0493421 0.0986842), wk = 0.0021142 k( 205) = ( 0.0444079 0.0444079 0.0888158), wk = 0.0021142 k( 206) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0021142 k( 207) = ( 0.0345395 0.0345395 0.0690790), wk = 0.0021142 k( 208) = ( 0.0296053 0.0296053 0.0592105), wk = 0.0021142 k( 209) = ( 0.0246710 0.0246710 0.0493421), wk = 0.0021142 k( 210) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0021142 k( 211) = ( 0.0148026 0.0148026 0.0296053), wk = 0.0021142 k( 212) = ( 0.0098684 0.0098684 0.0197368), wk = 0.0021142 k( 213) = ( 0.0049342 0.0049342 0.0098684), wk = 0.0021142 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 216) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0021142 k( 217) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0021142 k( 218) = ( 0.0241936 0.0241936 0.0241936), wk = 0.0021142 k( 219) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0021142 k( 220) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0021142 k( 221) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0021142 k( 222) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0021142 k( 223) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0021142 k( 224) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0021142 k( 225) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0021142 k( 226) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0021142 k( 227) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0021142 k( 228) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0021142 k( 229) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0021142 k( 230) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0021142 k( 231) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0021142 k( 232) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0021142 k( 233) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0021142 k( 234) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0021142 k( 235) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0021142 k( 236) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0021142 k( 237) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0021142 k( 238) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0021142 k( 239) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0021142 k( 240) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0021142 k( 241) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0021142 k( 242) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0021142 k( 243) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0021142 k( 244) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0021142 k( 245) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0021142 k( 246) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021142 k( 247) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0021142 k( 248) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0021142 k( 249) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0021142 k( 250) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0021142 k( 251) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0021142 k( 252) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0021142 k( 253) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0021142 k( 254) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0021142 k( 255) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0021142 k( 256) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0021142 k( 257) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0021142 k( 258) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0021142 k( 259) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0021142 k( 260) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0021142 k( 261) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0021142 k( 262) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0021142 k( 263) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0021142 k( 264) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0021142 k( 265) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0021142 k( 266) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0021142 k( 267) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0021142 k( 268) = ( 0.4274193 0.4274193 0.4274194), wk = 0.0021142 k( 269) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0021142 k( 270) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0021142 k( 271) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0021142 k( 272) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0021142 k( 273) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0021142 k( 274) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0021142 k( 275) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0021142 k( 276) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0021142 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021142 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021142 k( 279) = ( 0.5028409 0.4943182 0.5028409), wk = 0.0021142 k( 280) = ( 0.5056818 0.4886364 0.5056818), wk = 0.0021142 k( 281) = ( 0.5085227 0.4829545 0.5085227), wk = 0.0021142 k( 282) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0021142 k( 283) = ( 0.5142045 0.4715909 0.5142045), wk = 0.0021142 k( 284) = ( 0.5170455 0.4659091 0.5170455), wk = 0.0021142 k( 285) = ( 0.5198864 0.4602273 0.5198864), wk = 0.0021142 k( 286) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0021142 k( 287) = ( 0.5255682 0.4488636 0.5255682), wk = 0.0021142 k( 288) = ( 0.5284091 0.4431818 0.5284091), wk = 0.0021142 k( 289) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0021142 k( 290) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0021142 k( 291) = ( 0.5369318 0.4261364 0.5369318), wk = 0.0021142 k( 292) = ( 0.5397727 0.4204545 0.5397727), wk = 0.0021142 k( 293) = ( 0.5426136 0.4147727 0.5426136), wk = 0.0021142 k( 294) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0021142 k( 295) = ( 0.5482955 0.4034091 0.5482955), wk = 0.0021142 k( 296) = ( 0.5511364 0.3977273 0.5511364), wk = 0.0021142 k( 297) = ( 0.5539773 0.3920455 0.5539773), wk = 0.0021142 k( 298) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0021142 k( 299) = ( 0.5596591 0.3806818 0.5596591), wk = 0.0021142 k( 300) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0021142 k( 301) = ( 0.5653409 0.3693182 0.5653409), wk = 0.0021142 k( 302) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0021142 k( 303) = ( 0.5710227 0.3579545 0.5710227), wk = 0.0021142 k( 304) = ( 0.5738636 0.3522727 0.5738636), wk = 0.0021142 k( 305) = ( 0.5767045 0.3465909 0.5767046), wk = 0.0021142 k( 306) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0021142 k( 307) = ( 0.5823864 0.3352273 0.5823864), wk = 0.0021142 k( 308) = ( 0.5852273 0.3295455 0.5852273), wk = 0.0021142 k( 309) = ( 0.5880682 0.3238636 0.5880682), wk = 0.0021142 k( 310) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0021142 k( 311) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0021142 k( 312) = ( 0.5965909 0.3068182 0.5965909), wk = 0.0021142 k( 313) = ( 0.5994318 0.3011364 0.5994318), wk = 0.0021142 k( 314) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0021142 k( 315) = ( 0.6051136 0.2897727 0.6051136), wk = 0.0021142 k( 316) = ( 0.6079545 0.2840909 0.6079545), wk = 0.0021142 k( 317) = ( 0.6107955 0.2784091 0.6107955), wk = 0.0021142 k( 318) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0021142 k( 319) = ( 0.6164773 0.2670455 0.6164773), wk = 0.0021142 k( 320) = ( 0.6193182 0.2613636 0.6193182), wk = 0.0021142 k( 321) = ( 0.6221591 0.2556818 0.6221591), wk = 0.0021142 k( 322) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021142 k( 323) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021142 k( 324) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0021142 k( 325) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0021142 k( 326) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0021142 k( 327) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0021142 k( 328) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0021142 k( 329) = ( 0.5961538 0.2500000 0.6538462), wk = 0.0021142 k( 330) = ( 0.5913462 0.2500000 0.6586538), wk = 0.0021142 k( 331) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0021142 k( 332) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0021142 k( 333) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0021142 k( 334) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0021142 k( 335) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0021142 k( 336) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0021142 k( 337) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0021142 k( 338) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0021142 k( 339) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0021142 k( 340) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0021142 k( 341) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0021142 k( 342) = ( 0.5336538 0.2500000 0.7163462), wk = 0.0021142 k( 343) = ( 0.5288462 0.2500000 0.7211538), wk = 0.0021142 k( 344) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0021142 k( 345) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0021142 k( 346) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0021142 k( 347) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0021142 k( 348) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0021142 k( 349) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021142 k( 350) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021142 k( 351) = ( 0.5000000 0.2549020 0.7450980), wk = 0.0021142 k( 352) = ( 0.5000000 0.2598039 0.7401961), wk = 0.0021142 k( 353) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0021142 k( 354) = ( 0.5000000 0.2696078 0.7303922), wk = 0.0021142 k( 355) = ( 0.5000000 0.2745098 0.7254902), wk = 0.0021142 k( 356) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0021142 k( 357) = ( 0.5000000 0.2843137 0.7156863), wk = 0.0021142 k( 358) = ( 0.5000000 0.2892157 0.7107843), wk = 0.0021142 k( 359) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0021142 k( 360) = ( 0.5000000 0.2990196 0.7009804), wk = 0.0021142 k( 361) = ( 0.5000000 0.3039216 0.6960784), wk = 0.0021142 k( 362) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0021142 k( 363) = ( 0.5000000 0.3137255 0.6862745), wk = 0.0021142 k( 364) = ( 0.5000000 0.3186275 0.6813725), wk = 0.0021142 k( 365) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0021142 k( 366) = ( 0.5000000 0.3284314 0.6715686), wk = 0.0021142 k( 367) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0021142 k( 368) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0021142 k( 369) = ( 0.5000000 0.3431373 0.6568628), wk = 0.0021142 k( 370) = ( 0.5000000 0.3480392 0.6519608), wk = 0.0021142 k( 371) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0021142 k( 372) = ( 0.5000000 0.3578431 0.6421569), wk = 0.0021142 k( 373) = ( 0.5000000 0.3627451 0.6372549), wk = 0.0021142 k( 374) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0021142 k( 375) = ( 0.5000000 0.3725490 0.6274510), wk = 0.0021142 k( 376) = ( 0.5000000 0.3774510 0.6225490), wk = 0.0021142 k( 377) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0021142 k( 378) = ( 0.5000000 0.3872549 0.6127451), wk = 0.0021142 k( 379) = ( 0.5000000 0.3921569 0.6078431), wk = 0.0021142 k( 380) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0021142 k( 381) = ( 0.5000000 0.4019608 0.5980392), wk = 0.0021142 k( 382) = ( 0.5000000 0.4068627 0.5931372), wk = 0.0021142 k( 383) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0021142 k( 384) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0021142 k( 385) = ( 0.5000000 0.4215686 0.5784314), wk = 0.0021142 k( 386) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0021142 k( 387) = ( 0.5000000 0.4313726 0.5686275), wk = 0.0021142 k( 388) = ( 0.5000000 0.4362745 0.5637255), wk = 0.0021142 k( 389) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0021142 k( 390) = ( 0.5000000 0.4460784 0.5539216), wk = 0.0021142 k( 391) = ( 0.5000000 0.4509804 0.5490196), wk = 0.0021142 k( 392) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0021142 k( 393) = ( 0.5000000 0.4607843 0.5392157), wk = 0.0021142 k( 394) = ( 0.5000000 0.4656863 0.5343137), wk = 0.0021142 k( 395) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0021142 k( 396) = ( 0.5000000 0.4754902 0.5245098), wk = 0.0021142 k( 397) = ( 0.5000000 0.4803922 0.5196078), wk = 0.0021142 k( 398) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0021142 k( 399) = ( 0.5000000 0.4901961 0.5098039), wk = 0.0021142 k( 400) = ( 0.5000000 0.4950980 0.5049020), wk = 0.0021142 k( 401) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021142 k( 402) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021142 k( 403) = ( 0.4971591 0.4971591 0.5056818), wk = 0.0021142 k( 404) = ( 0.4943182 0.4943182 0.5113636), wk = 0.0021142 k( 405) = ( 0.4914773 0.4914773 0.5170455), wk = 0.0021142 k( 406) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0021142 k( 407) = ( 0.4857955 0.4857955 0.5284091), wk = 0.0021142 k( 408) = ( 0.4829545 0.4829545 0.5340909), wk = 0.0021142 k( 409) = ( 0.4801136 0.4801136 0.5397727), wk = 0.0021142 k( 410) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0021142 k( 411) = ( 0.4744318 0.4744318 0.5511364), wk = 0.0021142 k( 412) = ( 0.4715909 0.4715909 0.5568182), wk = 0.0021142 k( 413) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0021142 k( 414) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0021142 k( 415) = ( 0.4630682 0.4630682 0.5738636), wk = 0.0021142 k( 416) = ( 0.4602273 0.4602273 0.5795455), wk = 0.0021142 k( 417) = ( 0.4573864 0.4573864 0.5852273), wk = 0.0021142 k( 418) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0021142 k( 419) = ( 0.4517045 0.4517045 0.5965909), wk = 0.0021142 k( 420) = ( 0.4488636 0.4488636 0.6022727), wk = 0.0021142 k( 421) = ( 0.4460227 0.4460227 0.6079545), wk = 0.0021142 k( 422) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0021142 k( 423) = ( 0.4403409 0.4403409 0.6193182), wk = 0.0021142 k( 424) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0021142 k( 425) = ( 0.4346591 0.4346591 0.6306818), wk = 0.0021142 k( 426) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0021142 k( 427) = ( 0.4289773 0.4289773 0.6420455), wk = 0.0021142 k( 428) = ( 0.4261364 0.4261364 0.6477273), wk = 0.0021142 k( 429) = ( 0.4232955 0.4232955 0.6534091), wk = 0.0021142 k( 430) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0021142 k( 431) = ( 0.4176136 0.4176136 0.6647727), wk = 0.0021142 k( 432) = ( 0.4147727 0.4147727 0.6704545), wk = 0.0021142 k( 433) = ( 0.4119318 0.4119318 0.6761364), wk = 0.0021142 k( 434) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0021142 k( 435) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0021142 k( 436) = ( 0.4034091 0.4034091 0.6931818), wk = 0.0021142 k( 437) = ( 0.4005682 0.4005682 0.6988636), wk = 0.0021142 k( 438) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0021142 k( 439) = ( 0.3948864 0.3948864 0.7102273), wk = 0.0021142 k( 440) = ( 0.3920455 0.3920455 0.7159091), wk = 0.0021142 k( 441) = ( 0.3892045 0.3892045 0.7215909), wk = 0.0021142 k( 442) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0021142 k( 443) = ( 0.3835227 0.3835227 0.7329545), wk = 0.0021142 k( 444) = ( 0.3806818 0.3806818 0.7386364), wk = 0.0021142 k( 445) = ( 0.3778409 0.3778409 0.7443182), wk = 0.0021142 k( 446) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021142 k( 447) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021142 k( 448) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0021142 k( 449) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0021142 k( 450) = ( 0.6105769 0.2211539 0.6105769), wk = 0.0021142 k( 451) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0021142 k( 452) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0021142 k( 453) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0021142 k( 454) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0021142 k( 455) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0021142 k( 456) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0021142 k( 457) = ( 0.5769231 0.1538462 0.5769231), wk = 0.0021142 k( 458) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0021142 k( 459) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0021142 k( 460) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0021142 k( 461) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0021142 k( 462) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0021142 k( 463) = ( 0.5480769 0.0961539 0.5480769), wk = 0.0021142 k( 464) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0021142 k( 465) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0021142 k( 466) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0021142 k( 467) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0021142 k( 468) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0021142 k( 469) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0021142 k( 470) = ( 0.5144231 0.0288462 0.5144231), wk = 0.0021142 k( 471) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0021142 k( 472) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0021142 k( 473) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021142 Dense grid: 14163 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 110, 22) NL pseudopotentials 0.03 Mb ( 55, 38) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 394) G-vector shells 0.00 Mb ( 154) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 110, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.03 Mb ( 38, 2, 22) The potential is recalculated from file : ./TiH2.save/charge-density.dat Starting wfc are 4 randomized atomic wfcs + 18 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 0.9 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 1.2 secs Computing kpt #: 6 total cpu time spent up to now is 1.3 secs Computing kpt #: 7 total cpu time spent up to now is 1.4 secs Computing kpt #: 8 total cpu time spent up to now is 1.5 secs Computing kpt #: 9 total cpu time spent up to now is 1.6 secs Computing kpt #: 10 total cpu time spent up to now is 1.7 secs Computing kpt #: 11 total cpu time spent up to now is 1.7 secs Computing kpt #: 12 total cpu time spent up to now is 1.8 secs Computing kpt #: 13 total cpu time spent up to now is 1.9 secs Computing kpt #: 14 total cpu time spent up to now is 2.0 secs Computing kpt #: 15 total cpu time spent up to now is 2.1 secs Computing kpt #: 16 total cpu time spent up to now is 2.2 secs Computing kpt #: 17 total cpu time spent up to now is 2.3 secs Computing kpt #: 18 total cpu time spent up to now is 2.3 secs Computing kpt #: 19 total cpu time spent up to now is 2.4 secs Computing kpt #: 20 total cpu time spent up to now is 2.5 secs Computing kpt #: 21 total cpu time spent up to now is 2.6 secs Computing kpt #: 22 total cpu time spent up to now is 2.7 secs Computing kpt #: 23 total cpu time spent up to now is 2.8 secs Computing kpt #: 24 total cpu time spent up to now is 2.9 secs Computing kpt #: 25 total cpu time spent up to now is 2.9 secs Computing kpt #: 26 total cpu time spent up to now is 3.0 secs Computing kpt #: 27 total cpu time spent up to now is 3.1 secs Computing kpt #: 28 total cpu time spent up to now is 3.2 secs Computing kpt #: 29 total cpu time spent up to now is 3.3 secs Computing kpt #: 30 total cpu time spent up to now is 3.4 secs Computing kpt #: 31 total cpu time spent up to now is 3.5 secs Computing kpt #: 32 total cpu time spent up to now is 3.6 secs Computing kpt #: 33 total cpu time spent up to now is 3.6 secs Computing kpt #: 34 total cpu time spent up to now is 3.7 secs Computing kpt #: 35 total cpu time spent up to now is 3.8 secs Computing kpt #: 36 total cpu time spent up to now is 3.9 secs Computing kpt #: 37 total cpu time spent up to now is 4.0 secs Computing kpt #: 38 total cpu time spent up to now is 4.1 secs Computing kpt #: 39 total cpu time spent up to now is 4.2 secs Computing kpt #: 40 total cpu time spent up to now is 4.2 secs Computing kpt #: 41 total cpu time spent up to now is 4.3 secs Computing kpt #: 42 total cpu time spent up to now is 4.4 secs Computing kpt #: 43 total cpu time spent up to now is 4.5 secs Computing kpt #: 44 total cpu time spent up to now is 4.6 secs Computing kpt #: 45 total cpu time spent up to now is 4.7 secs Computing kpt #: 46 total cpu time spent up to now is 4.8 secs Computing kpt #: 47 total cpu time spent up to now is 4.9 secs Computing kpt #: 48 total cpu time spent up to now is 5.0 secs Computing kpt #: 49 total cpu time spent up to now is 5.1 secs Computing kpt #: 50 total cpu time spent up to now is 5.1 secs Computing kpt #: 51 total cpu time spent up to now is 5.2 secs Computing kpt #: 52 total cpu time spent up to now is 5.3 secs Computing kpt #: 53 total cpu time spent up to now is 5.4 secs Computing kpt #: 54 total cpu time spent up to now is 5.5 secs Computing kpt #: 55 total cpu time spent up to now is 5.6 secs Computing kpt #: 56 total cpu time spent up to now is 5.7 secs Computing kpt #: 57 total cpu time spent up to now is 5.8 secs Computing kpt #: 58 total cpu time spent up to now is 5.9 secs Computing kpt #: 59 total cpu time spent up to now is 6.0 secs Computing kpt #: 60 total cpu time spent up to now is 6.1 secs Computing kpt #: 61 total cpu time spent up to now is 6.3 secs Computing kpt #: 62 total cpu time spent up to now is 6.4 secs Computing kpt #: 63 total cpu time spent up to now is 6.5 secs Computing kpt #: 64 total cpu time spent up to now is 6.6 secs Computing kpt #: 65 total cpu time spent up to now is 6.7 secs Computing kpt #: 66 total cpu time spent up to now is 6.8 secs Computing kpt #: 67 total cpu time spent up to now is 6.9 secs Computing kpt #: 68 total cpu time spent up to now is 7.0 secs Computing kpt #: 69 total cpu time spent up to now is 7.2 secs Computing kpt #: 70 total cpu time spent up to now is 7.3 secs Computing kpt #: 71 total cpu time spent up to now is 7.4 secs Computing kpt #: 72 total cpu time spent up to now is 7.5 secs Computing kpt #: 73 total cpu time spent up to now is 7.6 secs Computing kpt #: 74 total cpu time spent up to now is 7.8 secs Computing kpt #: 75 total cpu time spent up to now is 7.9 secs Computing kpt #: 76 total cpu time spent up to now is 8.0 secs Computing kpt #: 77 total cpu time spent up to now is 8.1 secs Computing kpt #: 78 total cpu time spent up to now is 8.3 secs Computing kpt #: 79 total cpu time spent up to now is 8.4 secs Computing kpt #: 80 total cpu time spent up to now is 8.5 secs Computing kpt #: 81 total cpu time spent up to now is 8.6 secs Computing kpt #: 82 total cpu time spent up to now is 8.7 secs Computing kpt #: 83 total cpu time spent up to now is 8.8 secs Computing kpt #: 84 total cpu time spent up to now is 8.9 secs Computing kpt #: 85 total cpu time spent up to now is 9.0 secs Computing kpt #: 86 total cpu time spent up to now is 9.1 secs Computing kpt #: 87 total cpu time spent up to now is 9.2 secs Computing kpt #: 88 total cpu time spent up to now is 9.3 secs Computing kpt #: 89 total cpu time spent up to now is 9.4 secs Computing kpt #: 90 total cpu time spent up to now is 9.5 secs Computing kpt #: 91 total cpu time spent up to now is 9.6 secs Computing kpt #: 92 total cpu time spent up to now is 9.7 secs Computing kpt #: 93 total cpu time spent up to now is 9.8 secs Computing kpt #: 94 total cpu time spent up to now is 10.5 secs Computing kpt #: 95 total cpu time spent up to now is 10.6 secs Computing kpt #: 96 total cpu time spent up to now is 10.7 secs Computing kpt 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up to now is 12.2 secs Computing kpt #: 113 total cpu time spent up to now is 12.3 secs Computing kpt #: 114 total cpu time spent up to now is 12.4 secs Computing kpt #: 115 total cpu time spent up to now is 12.5 secs Computing kpt #: 116 total cpu time spent up to now is 12.6 secs Computing kpt #: 117 total cpu time spent up to now is 12.7 secs Computing kpt #: 118 total cpu time spent up to now is 12.8 secs Computing kpt #: 119 total cpu time spent up to now is 12.9 secs Computing kpt #: 120 total cpu time spent up to now is 13.0 secs Computing kpt #: 121 total cpu time spent up to now is 13.1 secs Computing kpt #: 122 total cpu time spent up to now is 13.2 secs Computing kpt #: 123 total cpu time spent up to now is 13.3 secs Computing kpt #: 124 total cpu time spent up to now is 13.4 secs Computing kpt #: 125 total cpu time spent up to now is 13.5 secs Computing kpt #: 126 total cpu time spent up to now is 13.6 secs Computing kpt #: 127 total cpu time spent up to now is 13.7 secs Computing kpt #: 128 total cpu time spent up to now is 13.8 secs Computing kpt #: 129 total cpu time spent up to now is 13.9 secs Computing kpt #: 130 total cpu time spent up to now is 14.0 secs Computing kpt #: 131 total cpu time spent up to now is 14.1 secs Computing kpt #: 132 total cpu time spent up to now is 14.2 secs Computing kpt #: 133 total cpu time spent up to now is 14.3 secs Computing kpt #: 134 total cpu time spent up to now is 14.4 secs Computing kpt #: 135 total cpu time spent up to now is 14.5 secs Computing kpt #: 136 total cpu time spent up to now is 14.6 secs Computing kpt #: 137 total cpu time spent up to now is 14.7 secs Computing kpt #: 138 total cpu time spent up to now is 14.8 secs Computing kpt #: 139 total cpu time spent up to now is 14.9 secs Computing kpt #: 140 total cpu time spent up to now is 15.0 secs Computing kpt #: 141 total cpu time spent up to now is 15.1 secs Computing kpt #: 142 total cpu time spent up to now is 15.2 secs Computing kpt #: 143 total cpu time spent up to now is 15.3 secs Computing kpt #: 144 total cpu time spent up to now is 15.4 secs Computing kpt #: 145 total cpu time spent up to now is 15.5 secs Computing kpt #: 146 total cpu time spent up to now is 15.5 secs Computing kpt #: 147 total cpu time spent up to now is 15.6 secs Computing kpt #: 148 total cpu time spent up to now is 15.7 secs Computing kpt #: 149 total cpu time spent up to now is 15.8 secs Computing kpt #: 150 total cpu time spent up to now is 15.9 secs Computing kpt #: 151 total cpu time spent up to now is 16.0 secs Computing kpt #: 152 total cpu time spent up to now is 16.1 secs Computing kpt #: 153 total cpu time spent up to now is 16.2 secs Computing kpt #: 154 total cpu time spent up to now is 16.3 secs Computing kpt #: 155 total cpu time spent up to now is 16.4 secs Computing kpt #: 156 total cpu time spent up to now is 16.5 secs Computing kpt #: 157 total cpu time spent up to now is 16.6 secs Computing kpt #: 158 total cpu time spent up to now is 16.7 secs Computing kpt #: 159 total cpu time spent up to now is 16.8 secs Computing kpt #: 160 total cpu time spent up to now is 16.9 secs Computing kpt #: 161 total cpu time spent up to now is 17.0 secs Computing kpt #: 162 total cpu time spent up to now is 17.1 secs Computing kpt #: 163 total cpu time spent up to now is 17.2 secs Computing kpt #: 164 total cpu time spent up to now is 17.3 secs Computing kpt #: 165 total cpu time spent up to now is 17.4 secs Computing kpt #: 166 total cpu time spent up to now is 17.5 secs Computing kpt #: 167 total cpu time spent up to now is 17.6 secs Computing kpt #: 168 total cpu time spent up to now is 17.7 secs Computing kpt #: 169 total cpu time spent up to now is 17.8 secs Computing kpt #: 170 total cpu time spent up to now is 17.9 secs Computing kpt #: 171 total cpu time spent up to now is 18.0 secs Computing kpt #: 172 total cpu time spent up to now is 18.1 secs Computing kpt #: 173 total cpu time spent up to now is 18.2 secs Computing kpt #: 174 total cpu time spent up to now is 18.2 secs Computing kpt #: 175 total cpu time spent up to now is 18.3 secs Computing kpt #: 176 total cpu time spent up to now is 18.4 secs Computing kpt #: 177 total cpu time spent up to now is 18.5 secs Computing kpt #: 178 total cpu time spent up to now is 18.6 secs Computing kpt #: 179 total cpu time spent up to now is 18.7 secs Computing kpt #: 180 total cpu time spent up to now is 18.8 secs Computing kpt #: 181 total cpu time spent up to now is 18.9 secs Computing kpt #: 182 total cpu time spent up to now is 19.0 secs Computing kpt #: 183 total cpu time spent up to now is 19.0 secs Computing kpt #: 184 total cpu time spent up to now is 19.1 secs Computing kpt #: 185 total cpu time spent up to now is 19.2 secs Computing kpt #: 186 total cpu time spent up to now is 19.3 secs Computing kpt #: 187 total cpu time spent up to now is 19.4 secs Computing kpt #: 188 total cpu time spent up to now is 19.5 secs Computing kpt #: 189 total cpu time spent up to now is 19.6 secs Computing kpt #: 190 total cpu time spent up to now is 19.6 secs Computing kpt #: 191 total cpu time spent up to now is 19.7 secs Computing kpt #: 192 total cpu time spent up to now is 19.8 secs Computing kpt #: 193 total cpu time spent up to now is 19.9 secs Computing kpt #: 194 total cpu time spent up to now is 20.0 secs Computing kpt #: 195 total cpu time spent up to now is 20.1 secs Computing kpt #: 196 total cpu time spent up to now is 20.2 secs Computing kpt #: 197 total cpu time spent up to now is 20.2 secs Computing kpt #: 198 total cpu time spent up to now is 20.3 secs Computing kpt #: 199 total cpu time spent up to now is 20.4 secs Computing kpt #: 200 total cpu time spent up to now is 20.5 secs Computing kpt #: 201 total cpu time spent up to now is 20.6 secs Computing kpt #: 202 total cpu time spent up to now is 20.7 secs Computing kpt #: 203 total cpu time spent up to now is 20.8 secs Computing kpt #: 204 total cpu time spent up to now is 20.8 secs Computing kpt #: 205 total cpu time spent up to now is 20.9 secs Computing kpt #: 206 total cpu time spent up to now is 21.0 secs Computing kpt #: 207 total cpu time spent up to now is 21.1 secs Computing kpt #: 208 total cpu time spent up to now is 21.2 secs Computing kpt #: 209 total cpu time spent up to now is 21.3 secs Computing kpt #: 210 total cpu time spent up to now is 21.4 secs Computing kpt #: 211 total cpu time spent up to now is 21.5 secs Computing kpt #: 212 total cpu time spent up to now is 21.5 secs Computing kpt #: 213 total cpu time spent up to now is 21.6 secs Computing kpt #: 214 total cpu time spent up to now is 21.7 secs Computing kpt #: 215 total cpu time spent up to now is 21.8 secs Computing kpt #: 216 total cpu time spent up to now is 21.9 secs Computing kpt #: 217 total cpu time spent up to now is 22.0 secs Computing kpt #: 218 total cpu time spent up to now is 22.1 secs Computing kpt #: 219 total cpu time spent up to now is 22.1 secs Computing kpt #: 220 total cpu time spent up to now is 22.2 secs Computing kpt #: 221 total cpu time spent up to now is 22.3 secs Computing kpt #: 222 total cpu time spent up to now is 22.4 secs Computing kpt #: 223 total cpu time spent up to now is 22.5 secs Computing kpt #: 224 total cpu time spent up to now is 22.6 secs Computing kpt #: 225 total cpu time spent up to now is 22.7 secs Computing kpt #: 226 total cpu time spent up to now is 22.8 secs Computing kpt #: 227 total cpu time spent up to now is 22.8 secs Computing kpt #: 228 total cpu time spent up to now is 22.9 secs Computing kpt #: 229 total cpu time spent up to now is 23.0 secs Computing kpt #: 230 total cpu time spent up to now is 23.1 secs Computing kpt #: 231 total cpu time spent up to now is 23.2 secs Computing kpt #: 232 total cpu time spent up to now is 23.3 secs Computing kpt #: 233 total cpu time spent up to now is 23.4 secs Computing kpt #: 234 total cpu time spent up to now is 23.4 secs Computing kpt #: 235 total cpu time spent up to now is 23.5 secs Computing kpt #: 236 total cpu time spent up to now is 23.6 secs Computing kpt #: 237 total cpu time spent up to now is 23.7 secs Computing kpt #: 238 total cpu time spent up to now is 23.8 secs Computing kpt #: 239 total cpu time spent up to now is 23.9 secs Computing kpt #: 240 total cpu time spent up to now is 24.0 secs Computing kpt #: 241 total cpu time spent up to now is 24.1 secs Computing kpt #: 242 total cpu time spent up to now is 24.2 secs Computing kpt #: 243 total cpu time spent up to now is 24.2 secs Computing kpt #: 244 total cpu time spent up to now is 24.3 secs Computing kpt #: 245 total cpu time spent up to now is 24.4 secs Computing kpt #: 246 total cpu time spent up to now is 24.5 secs Computing kpt #: 247 total cpu time spent up to now is 24.6 secs Computing kpt #: 248 total cpu time spent up to now is 24.7 secs Computing kpt #: 249 total cpu time spent up to now is 24.8 secs Computing kpt #: 250 total cpu time spent up to now is 24.9 secs Computing kpt #: 251 total cpu time spent up to now is 25.0 secs Computing kpt #: 252 total cpu time spent up to now is 25.0 secs Computing kpt #: 253 total cpu time spent up to now is 25.1 secs Computing kpt #: 254 total cpu time spent up to now is 25.2 secs Computing kpt #: 255 total cpu time spent up to now is 25.3 secs Computing kpt #: 256 total cpu time spent up to now is 25.4 secs Computing kpt #: 257 total cpu time spent up to now is 25.5 secs Computing kpt #: 258 total cpu time spent up to now is 25.6 secs Computing kpt #: 259 total cpu time spent up to now is 25.7 secs Computing kpt #: 260 total cpu time spent up to now is 25.8 secs Computing kpt #: 261 total cpu time spent up to now is 25.9 secs Computing kpt #: 262 total cpu time spent up to now is 25.9 secs Computing kpt #: 263 total cpu time spent up to now is 26.0 secs Computing kpt #: 264 total cpu time spent up to now is 26.1 secs Computing kpt #: 265 total cpu time spent up to now is 26.2 secs Computing kpt #: 266 total cpu time spent up to now is 26.3 secs Computing kpt #: 267 total cpu time spent up to now is 26.4 secs Computing kpt #: 268 total cpu time spent up to now is 26.5 secs Computing kpt #: 269 total cpu time spent up to now is 26.6 secs Computing kpt #: 270 total cpu time spent up to now is 26.7 secs Computing kpt #: 271 total cpu time spent up to now is 26.8 secs Computing kpt #: 272 total cpu time spent up to now is 26.9 secs Computing kpt #: 273 total cpu time spent up to now is 27.0 secs Computing kpt #: 274 total cpu time spent up to now is 27.1 secs Computing kpt #: 275 total cpu time spent up to now is 27.2 secs Computing kpt #: 276 total cpu time spent up to now is 27.2 secs Computing kpt #: 277 total cpu time spent up to now is 27.3 secs Computing kpt #: 278 total cpu time spent up to now is 27.4 secs Computing kpt #: 279 total cpu time spent up to now is 27.5 secs Computing kpt #: 280 total cpu time spent up to now is 27.6 secs Computing kpt #: 281 total cpu time spent up to now is 27.7 secs Computing kpt #: 282 total cpu time spent up to now is 27.8 secs Computing kpt #: 283 total cpu time spent up to now is 27.9 secs Computing kpt #: 284 total cpu time spent up to now is 28.0 secs Computing kpt #: 285 total cpu time spent up to now is 28.1 secs Computing kpt #: 286 total cpu time spent up to now is 28.2 secs Computing kpt #: 287 total cpu time spent up to now is 28.2 secs Computing kpt #: 288 total cpu time spent up to now is 28.3 secs Computing kpt #: 289 total cpu time spent up to now is 28.4 secs Computing kpt #: 290 total cpu time spent up to now is 28.5 secs Computing kpt #: 291 total cpu time spent up to now is 28.6 secs Computing kpt #: 292 total cpu time spent up to now is 28.7 secs Computing kpt #: 293 total cpu time spent up to now is 28.8 secs Computing kpt #: 294 total cpu time spent up to now is 28.9 secs Computing kpt #: 295 total cpu time spent up to now is 29.0 secs Computing kpt #: 296 total cpu time spent up to now is 29.1 secs Computing kpt #: 297 total cpu time spent up to now is 29.2 secs Computing kpt #: 298 total cpu time spent up to now is 29.3 secs Computing kpt #: 299 total cpu time spent up to now is 29.4 secs Computing kpt #: 300 total cpu time spent up to now is 29.5 secs Computing kpt #: 301 total cpu time spent up to now is 29.6 secs Computing kpt #: 302 total cpu time spent up to now is 29.7 secs Computing kpt #: 303 total cpu time spent up to now is 29.8 secs Computing kpt #: 304 total cpu time spent up to now is 29.9 secs Computing kpt #: 305 total cpu time spent up to now is 30.0 secs Computing kpt #: 306 total cpu time spent up to now is 30.1 secs Computing kpt #: 307 total cpu time spent up to now is 30.2 secs Computing kpt #: 308 total cpu time spent up to now is 30.3 secs Computing kpt #: 309 total cpu time spent up to now is 30.4 secs Computing kpt #: 310 total cpu time spent up to now is 30.5 secs Computing kpt #: 311 total cpu time spent up to now is 30.6 secs Computing kpt #: 312 total cpu time spent up to now is 30.7 secs Computing kpt #: 313 total cpu time spent up to now is 30.8 secs Computing kpt #: 314 total cpu time spent up to now is 30.9 secs Computing kpt #: 315 total cpu time spent up to now is 31.0 secs Computing kpt #: 316 total cpu time spent up to now is 31.1 secs Computing kpt #: 317 total cpu time spent up to now is 31.2 secs Computing kpt #: 318 total cpu time spent up to now is 31.3 secs Computing kpt #: 319 total cpu time spent up to now is 31.4 secs Computing kpt #: 320 total cpu time spent up to now is 31.5 secs Computing kpt #: 321 total cpu time spent up to now is 31.6 secs Computing kpt #: 322 total cpu time spent up to now is 31.7 secs Computing kpt #: 323 total cpu time spent up to now is 31.8 secs Computing kpt #: 324 total cpu time spent up to now is 31.9 secs Computing kpt #: 325 total cpu time spent up to now is 32.0 secs Computing kpt #: 326 total cpu time spent up to now is 32.1 secs Computing kpt #: 327 total cpu time spent up to now is 32.2 secs Computing kpt #: 328 total cpu time spent up to now is 32.3 secs Computing kpt #: 329 total cpu time spent up to now is 32.4 secs Computing kpt #: 330 total cpu time spent up to now is 32.5 secs Computing kpt #: 331 total cpu time spent up to now is 32.6 secs Computing kpt #: 332 total cpu time spent up to now is 32.7 secs Computing kpt #: 333 total cpu time spent up to now is 32.8 secs Computing kpt #: 334 total cpu time spent up to now is 32.9 secs Computing kpt #: 335 total cpu time spent up to now is 33.0 secs Computing kpt #: 336 total cpu time spent up to now is 33.1 secs Computing kpt #: 337 total cpu time spent up to now is 33.2 secs Computing kpt #: 338 total cpu time spent up to now is 33.3 secs Computing kpt #: 339 total cpu time spent up to now is 33.4 secs Computing kpt #: 340 total cpu time spent up to now is 33.5 secs Computing kpt #: 341 total cpu time spent up to now is 33.5 secs Computing kpt #: 342 total cpu time spent up to now is 33.6 secs Computing kpt #: 343 total cpu time spent up to now is 33.7 secs Computing kpt #: 344 total cpu time spent up to now is 33.8 secs Computing kpt #: 345 total cpu time spent up to now is 33.9 secs Computing kpt #: 346 total cpu time spent up to now is 34.0 secs Computing kpt #: 347 total cpu time spent up to now is 34.1 secs Computing kpt #: 348 total cpu time spent up to now is 34.2 secs Computing kpt #: 349 total cpu time spent up to now is 34.3 secs Computing kpt #: 350 total cpu time spent up to now is 34.4 secs Computing kpt #: 351 total cpu time spent up to now is 34.5 secs Computing kpt #: 352 total cpu time spent up to now is 34.6 secs Computing kpt #: 353 total cpu time spent up to now is 34.7 secs Computing kpt #: 354 total cpu time spent up to now is 34.8 secs Computing kpt #: 355 total cpu time spent up to now is 34.9 secs Computing kpt #: 356 total cpu time spent up to now is 35.0 secs Computing kpt #: 357 total cpu time spent up to now is 35.1 secs Computing kpt #: 358 total cpu time spent up to now is 35.2 secs Computing kpt #: 359 total cpu time spent up to now is 35.3 secs Computing kpt #: 360 total cpu time spent up to now is 35.4 secs Computing kpt #: 361 total cpu time spent up to now is 35.5 secs Computing kpt #: 362 total cpu time spent up to now is 35.6 secs Computing kpt #: 363 total cpu time spent up to now is 35.7 secs Computing kpt #: 364 total cpu time spent up to now is 35.8 secs Computing kpt #: 365 total cpu time spent up to now is 35.9 secs Computing kpt #: 366 total cpu time spent up to now is 36.0 secs Computing kpt #: 367 total cpu time spent up to now is 36.1 secs Computing kpt #: 368 total cpu time spent up to now is 36.2 secs Computing kpt #: 369 total cpu time spent up to now is 36.3 secs Computing kpt #: 370 total cpu time spent up to now is 36.4 secs Computing kpt #: 371 total cpu time spent up to now is 36.5 secs Computing kpt #: 372 total cpu time spent up to now is 36.6 secs Computing kpt #: 373 total cpu time spent up to now is 36.7 secs Computing kpt #: 374 total cpu time spent up to now is 36.8 secs Computing kpt #: 375 total cpu time spent up to now is 36.9 secs Computing kpt #: 376 total cpu time spent up to now is 37.0 secs Computing kpt #: 377 total cpu time spent up to now is 37.1 secs Computing kpt #: 378 total cpu time spent up to now is 37.2 secs Computing kpt #: 379 total cpu time spent up to now is 37.3 secs Computing kpt #: 380 total cpu time spent up to now is 37.4 secs Computing kpt #: 381 total cpu time spent up to now is 37.5 secs Computing kpt #: 382 total cpu time spent up to now is 37.6 secs Computing kpt #: 383 total cpu time spent up to now is 37.7 secs Computing kpt #: 384 total cpu time spent up to now is 37.8 secs Computing kpt #: 385 total cpu time spent up to now is 37.9 secs Computing kpt #: 386 total cpu time spent up to now is 38.0 secs Computing kpt #: 387 total cpu time spent up to now is 38.1 secs Computing kpt #: 388 total cpu time spent up to now is 38.2 secs Computing kpt #: 389 total cpu time spent up to now is 38.2 secs Computing kpt #: 390 total cpu time spent up to now is 38.3 secs Computing kpt #: 391 total cpu time spent up to now is 38.4 secs Computing kpt #: 392 total cpu time spent up to now is 38.5 secs Computing kpt #: 393 total cpu time spent up to now is 38.6 secs Computing kpt #: 394 total cpu time spent up to now is 38.7 secs Computing kpt #: 395 total cpu time spent up to now is 38.8 secs Computing kpt #: 396 total cpu time spent up to now is 38.9 secs Computing kpt #: 397 total cpu time spent up to now is 39.0 secs Computing kpt #: 398 total cpu time spent up to now is 39.1 secs Computing kpt #: 399 total cpu time spent up to now is 39.2 secs Computing kpt #: 400 total cpu time spent up to now is 39.3 secs Computing kpt #: 401 total cpu time spent up to now is 39.4 secs Computing kpt #: 402 total cpu time spent up to now is 39.4 secs Computing kpt #: 403 total cpu time spent up to now is 39.5 secs Computing kpt #: 404 total cpu time spent up to now is 39.6 secs Computing kpt #: 405 total cpu time spent up to now is 39.7 secs Computing kpt #: 406 total cpu time spent up to now is 39.8 secs Computing kpt #: 407 total cpu time spent up to now is 39.9 secs Computing kpt #: 408 total cpu time spent up to now is 40.1 secs Computing kpt #: 409 total cpu time spent up to now is 40.1 secs Computing kpt #: 410 total cpu time spent up to now is 40.2 secs Computing kpt #: 411 total cpu time spent up to now is 40.3 secs Computing kpt #: 412 total cpu time spent up to now is 40.4 secs Computing kpt #: 413 total cpu time spent up to now is 40.5 secs Computing kpt #: 414 total cpu time spent up to now is 40.6 secs Computing kpt #: 415 total cpu time spent up to now is 40.7 secs Computing kpt #: 416 total cpu time spent up to now is 40.8 secs Computing kpt #: 417 total cpu time spent up to now is 40.9 secs Computing kpt #: 418 total cpu time spent up to now is 41.0 secs Computing kpt #: 419 total cpu time spent up to now is 41.1 secs Computing kpt #: 420 total cpu time spent up to now is 41.2 secs Computing kpt #: 421 total cpu time spent up to now is 41.3 secs Computing kpt #: 422 total cpu time spent up to now is 41.4 secs Computing kpt #: 423 total cpu time spent up to now is 41.5 secs Computing kpt #: 424 total cpu time spent up to now is 41.6 secs Computing kpt #: 425 total cpu time spent up to now is 41.7 secs Computing kpt #: 426 total cpu time spent up to now is 41.8 secs Computing kpt #: 427 total cpu time spent up to now is 41.9 secs Computing kpt #: 428 total cpu time spent up to now is 42.0 secs Computing kpt #: 429 total cpu time spent up to now is 42.1 secs Computing kpt #: 430 total cpu time spent up to now is 42.2 secs Computing kpt #: 431 total cpu time spent up to now is 42.3 secs Computing kpt #: 432 total cpu time spent up to now is 42.4 secs Computing kpt #: 433 total cpu time spent up to now is 42.5 secs Computing kpt #: 434 total cpu time spent up to now is 42.6 secs Computing kpt #: 435 total cpu time spent up to now is 42.7 secs Computing kpt #: 436 total cpu time spent up to now is 42.8 secs Computing kpt #: 437 total cpu time spent up to now is 42.9 secs Computing kpt #: 438 total cpu time spent up to now is 43.0 secs Computing kpt #: 439 total cpu time spent up to now is 43.1 secs Computing kpt #: 440 total cpu time spent up to now is 43.2 secs Computing kpt #: 441 total cpu time spent up to now is 43.2 secs Computing kpt #: 442 total cpu time spent up to now is 43.4 secs Computing kpt #: 443 total cpu time spent up to now is 43.4 secs Computing kpt #: 444 total cpu time spent up to now is 43.5 secs Computing kpt #: 445 total cpu time spent up to now is 43.6 secs Computing kpt #: 446 total cpu time spent up to now is 43.7 secs Computing kpt #: 447 total cpu time spent up to now is 43.8 secs Computing kpt #: 448 total cpu time spent up to now is 43.9 secs Computing kpt #: 449 total cpu time spent up to now is 44.0 secs Computing kpt #: 450 total cpu time spent up to now is 44.1 secs Computing kpt #: 451 total cpu time spent up to now is 44.2 secs Computing kpt #: 452 total cpu time spent up to now is 44.3 secs Computing kpt #: 453 total cpu time spent up to now is 44.4 secs Computing kpt #: 454 total cpu time spent up to now is 44.5 secs Computing kpt #: 455 total cpu time spent up to now is 44.6 secs Computing kpt #: 456 total cpu time spent up to now is 44.7 secs Computing kpt #: 457 total cpu time spent up to now is 44.8 secs Computing kpt #: 458 total cpu time spent up to now is 44.9 secs Computing kpt #: 459 total cpu time spent up to now is 45.1 secs Computing kpt #: 460 total cpu time spent up to now is 45.2 secs Computing kpt #: 461 total cpu time spent up to now is 45.3 secs Computing kpt #: 462 total cpu time spent up to now is 45.4 secs Computing kpt #: 463 total cpu time spent up to now is 45.5 secs Computing kpt #: 464 total cpu time spent up to now is 45.6 secs Computing kpt #: 465 total cpu time spent up to now is 45.7 secs Computing kpt #: 466 total cpu time spent up to now is 45.8 secs Computing kpt #: 467 total cpu time spent up to now is 45.9 secs Computing kpt #: 468 total cpu time spent up to now is 46.0 secs Computing kpt #: 469 total cpu time spent up to now is 46.1 secs Computing kpt #: 470 total cpu time spent up to now is 46.2 secs Computing kpt #: 471 total cpu time spent up to now is 46.3 secs Computing kpt #: 472 total cpu time spent up to now is 46.5 secs Computing kpt #: 473 total cpu time spent up to now is 46.6 secs ethr = 7.14E-08, avg # of iterations = 13.9 total cpu time spent up to now is 46.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1807 PWs) bands (ev): -45.1280 -45.1280 -21.6408 -21.6408 -20.9785 -20.9785 -20.9785 -20.9785 1.5808 1.5808 11.8594 11.8594 11.8594 11.8594 11.8835 11.8835 12.6235 12.6235 13.6398 13.6398 13.6398 13.6398 k = 0.0069-0.0040 0.0057 ( 1807 PWs) bands (ev): -45.1280 -45.1280 -21.6409 -21.6409 -20.9787 -20.9787 -20.9786 -20.9786 1.5824 1.5824 11.8353 11.8353 11.8601 11.8601 11.8793 11.8793 12.6536 12.6536 13.6385 13.6385 13.6402 13.6402 k = 0.0139-0.0080 0.0113 ( 1807 PWs) bands (ev): -45.1279 -45.1279 -21.6412 -21.6412 -20.9792 -20.9792 -20.9788 -20.9788 1.5872 1.5872 11.7608 11.7608 11.8624 11.8624 11.8795 11.8795 12.7331 12.7331 13.6347 13.6347 13.6414 13.6414 k = 0.0208-0.0120 0.0170 ( 1807 PWs) bands (ev): -45.1277 -45.1277 -21.6417 -21.6417 -20.9799 -20.9799 -20.9791 -20.9791 1.5952 1.5952 11.6562 11.6562 11.8661 11.8661 11.8827 11.8827 12.8431 12.8431 13.6282 13.6282 13.6433 13.6433 k = 0.0278-0.0160 0.0227 ( 1807 PWs) bands (ev): -45.1274 -45.1274 -21.6424 -21.6424 -20.9810 -20.9810 -20.9796 -20.9796 1.6064 1.6064 11.5360 11.5360 11.8714 11.8714 11.8878 11.8878 12.9703 12.9703 13.6192 13.6192 13.6461 13.6461 k = 0.0347-0.0200 0.0284 ( 1807 PWs) bands (ev): -45.1271 -45.1271 -21.6433 -21.6433 -20.9824 -20.9824 -20.9801 -20.9801 1.6209 1.6209 11.4077 11.4077 11.8781 11.8781 11.8945 11.8945 13.1075 13.1075 13.6076 13.6076 13.6497 13.6497 k = 0.0417-0.0241 0.0340 ( 1799 PWs) bands (ev): -45.1267 -45.1267 -21.6445 -21.6445 -20.9841 -20.9841 -20.9808 -20.9808 1.6385 1.6385 11.2751 11.2751 11.8864 11.8864 11.9028 11.9028 13.2507 13.2507 13.5934 13.5934 13.6540 13.6540 k = 0.0486-0.0281 0.0397 ( 1799 PWs) bands (ev): -45.1262 -45.1262 -21.6458 -21.6458 -20.9861 -20.9861 -20.9817 -20.9817 1.6593 1.6593 11.1404 11.1404 11.8961 11.8961 11.9126 11.9126 13.3978 13.3978 13.5766 13.5766 13.6593 13.6593 k = 0.0556-0.0321 0.0454 ( 1800 PWs) bands (ev): -45.1257 -45.1257 -21.6473 -21.6473 -20.9884 -20.9884 -20.9826 -20.9826 1.6832 1.6832 11.0048 11.0048 11.9074 11.9074 11.9239 11.9239 13.5472 13.5472 13.5572 13.5572 13.6658 13.6658 k = 0.0625-0.0361 0.0510 ( 1796 PWs) bands (ev): -45.1251 -45.1251 -21.6490 -21.6490 -20.9910 -20.9910 -20.9837 -20.9837 1.7103 1.7103 10.8690 10.8690 11.9201 11.9201 11.9367 11.9367 13.5351 13.5351 13.6667 13.6667 13.7050 13.7050 k = 0.0694-0.0401 0.0567 ( 1788 PWs) bands (ev): -45.1244 -45.1244 -21.6510 -21.6510 -20.9939 -20.9939 -20.9849 -20.9849 1.7405 1.7405 10.7335 10.7335 11.9344 11.9344 11.9511 11.9511 13.5104 13.5104 13.6775 13.6775 13.8549 13.8549 k = 0.0764-0.0441 0.0624 ( 1788 PWs) bands (ev): -45.1237 -45.1237 -21.6531 -21.6531 -20.9970 -20.9970 -20.9862 -20.9862 1.7738 1.7738 10.5987 10.5987 11.9502 11.9502 11.9670 11.9670 13.4831 13.4831 13.6858 13.6858 14.0091 14.0091 k = 0.0833-0.0481 0.0680 ( 1788 PWs) bands (ev): -45.1229 -45.1229 -21.6554 -21.6554 -21.0004 -21.0004 -20.9876 -20.9876 1.8102 1.8102 10.4649 10.4649 11.9674 11.9674 11.9843 11.9843 13.4531 13.4531 13.6947 13.6947 14.1642 14.1642 k = 0.0903-0.0521 0.0737 ( 1788 PWs) bands (ev): -45.1220 -45.1220 -21.6578 -21.6578 -21.0041 -21.0041 -20.9891 -20.9891 1.8496 1.8496 10.3321 10.3321 11.9862 11.9862 12.0032 12.0032 13.4204 13.4204 13.7042 13.7042 14.3198 14.3198 k = 0.0972-0.0561 0.0794 ( 1780 PWs) bands (ev): -45.1211 -45.1211 -21.6605 -21.6605 -21.0080 -21.0080 -20.9908 -20.9908 1.8921 1.8921 10.2007 10.2007 12.0064 12.0064 12.0236 12.0236 13.3850 13.3850 13.7143 13.7143 14.4758 14.4758 k = 0.1042-0.0601 0.0851 ( 1780 PWs) bands (ev): -45.1201 -45.1201 -21.6633 -21.6633 -21.0121 -21.0121 -20.9925 -20.9925 1.9376 1.9376 10.0707 10.0707 12.0282 12.0282 12.0455 12.0455 13.3470 13.3470 13.7251 13.7251 14.6319 14.6319 k = 0.1111-0.0642 0.0907 ( 1780 PWs) bands (ev): -45.1191 -45.1191 -21.6664 -21.6664 -21.0164 -21.0164 -20.9944 -20.9944 1.9860 1.9860 9.9421 9.9421 12.0514 12.0514 12.0689 12.0689 13.3063 13.3063 13.7366 13.7366 14.7878 14.7878 k = 0.1181-0.0682 0.0964 ( 1780 PWs) bands (ev): -45.1180 -45.1180 -21.6695 -21.6695 -21.0210 -21.0210 -20.9963 -20.9963 2.0374 2.0374 9.8151 9.8151 12.0761 12.0761 12.0938 12.0938 13.2630 13.2630 13.7486 13.7486 14.9436 14.9436 k = 0.1250-0.0722 0.1021 ( 1788 PWs) bands (ev): -45.1168 -45.1168 -21.6729 -21.6729 -21.0258 -21.0258 -20.9984 -20.9984 2.0916 2.0916 9.6898 9.6898 12.1023 12.1023 12.1202 12.1202 13.2169 13.2169 13.7613 13.7613 15.0990 15.0990 k = 0.1319-0.0762 0.1077 ( 1788 PWs) bands (ev): -45.1156 -45.1156 -21.6764 -21.6764 -21.0308 -21.0308 -21.0005 -21.0005 2.1487 2.1487 9.5662 9.5662 12.1300 12.1300 12.1480 12.1480 13.1683 13.1683 13.7746 13.7746 15.2538 15.2538 k = 0.1389-0.0802 0.1134 ( 1788 PWs) bands (ev): -45.1144 -45.1144 -21.6800 -21.6800 -21.0359 -21.0359 -21.0027 -21.0027 2.2086 2.2086 9.4443 9.4443 12.1591 12.1591 12.1774 12.1774 13.1171 13.1171 13.7884 13.7884 15.4080 15.4080 k = 0.1458-0.0842 0.1191 ( 1788 PWs) bands (ev): -45.1131 -45.1131 -21.6838 -21.6838 -21.0412 -21.0412 -21.0050 -21.0050 2.2713 2.2713 9.3243 9.3243 12.1897 12.1897 12.2082 12.2082 13.0633 13.0633 13.8028 13.8028 15.5614 15.5614 k = 0.1528-0.0882 0.1247 ( 1788 PWs) bands (ev): -45.1118 -45.1118 -21.6878 -21.6878 -21.0467 -21.0467 -21.0074 -21.0074 2.3368 2.3368 9.2061 9.2061 12.2218 12.2218 12.2405 12.2405 13.0069 13.0069 13.8177 13.8177 15.7138 15.7138 k = 0.1597-0.0922 0.1304 ( 1792 PWs) bands (ev): -45.1104 -45.1104 -21.6918 -21.6918 -21.0523 -21.0523 -21.0098 -21.0098 2.4049 2.4049 9.0899 9.0899 12.2553 12.2553 12.2743 12.2743 12.9482 12.9482 13.8332 13.8332 15.8652 15.8652 k = 0.1667-0.0962 0.1361 ( 1792 PWs) bands (ev): -45.1090 -45.1090 -21.6960 -21.6960 -21.0580 -21.0580 -21.0124 -21.0124 2.4756 2.4756 8.9755 8.9755 12.2902 12.2902 12.3095 12.3095 12.8870 12.8870 13.8491 13.8491 16.0154 16.0154 k = 0.1736-0.1002 0.1418 ( 1788 PWs) bands (ev): -45.1075 -45.1075 -21.7003 -21.7003 -21.0638 -21.0638 -21.0149 -21.0149 2.5490 2.5490 8.8632 8.8632 12.3265 12.3265 12.3462 12.3462 12.8234 12.8234 13.8654 13.8654 16.1642 16.1642 k = 0.1806-0.1042 0.1474 ( 1788 PWs) bands (ev): -45.1060 -45.1060 -21.7047 -21.7047 -21.0698 -21.0698 -21.0176 -21.0176 2.6248 2.6248 8.7528 8.7528 12.3642 12.3642 12.3843 12.3843 12.7577 12.7577 13.8822 13.8822 16.3116 16.3116 k = 0.1875-0.1083 0.1531 ( 1780 PWs) bands (ev): -45.1045 -45.1045 -21.7093 -21.7093 -21.0758 -21.0758 -21.0203 -21.0203 2.7032 2.7032 8.6445 8.6445 12.4031 12.4031 12.4238 12.4238 12.6899 12.6899 13.8994 13.8994 16.4574 16.4574 k = 0.1944-0.1123 0.1588 ( 1780 PWs) bands (ev): -45.1029 -45.1029 -21.7139 -21.7139 -21.0819 -21.0819 -21.0230 -21.0230 2.7839 2.7839 8.5383 8.5383 12.4428 12.4428 12.4648 12.4648 12.6205 12.6205 13.9169 13.9169 16.6015 16.6015 k = 0.2014-0.1163 0.1644 ( 1784 PWs) bands (ev): -45.1014 -45.1014 -21.7186 -21.7186 -21.0880 -21.0880 -21.0258 -21.0258 2.8670 2.8670 8.4342 8.4342 12.4805 12.4805 12.5071 12.5071 12.5524 12.5524 13.9348 13.9348 16.7437 16.7437 k = 0.2083-0.1203 0.1701 ( 1768 PWs) bands (ev): -45.0998 -45.0998 -21.7234 -21.7234 -21.0942 -21.0942 -21.0286 -21.0286 2.9524 2.9524 8.3322 8.3322 12.4643 12.4643 12.5377 12.5377 12.5508 12.5508 13.9529 13.9529 16.8839 16.8839 k = 0.2153-0.1243 0.1758 ( 1768 PWs) bands (ev): -45.0981 -45.0981 -21.7282 -21.7282 -21.1005 -21.1005 -21.0315 -21.0315 3.0400 3.0400 8.2323 8.2323 12.3922 12.3922 12.5782 12.5782 12.5958 12.5958 13.9714 13.9714 17.0221 17.0221 k = 0.2222-0.1283 0.1814 ( 1772 PWs) bands (ev): -45.0965 -45.0965 -21.7331 -21.7331 -21.1067 -21.1067 -21.0344 -21.0344 3.1298 3.1298 8.1346 8.1346 12.3151 12.3151 12.6234 12.6234 12.6421 12.6421 13.9901 13.9901 17.1581 17.1581 k = 0.2292-0.1323 0.1871 ( 1760 PWs) bands (ev): -45.0949 -45.0949 -21.7381 -21.7381 -21.1130 -21.1130 -21.0373 -21.0373 3.2217 3.2217 8.0391 8.0391 12.2356 12.2356 12.6703 12.6703 12.6898 12.6898 14.0090 14.0090 17.2917 17.2917 k = 0.2361-0.1363 0.1928 ( 1748 PWs) bands (ev): -45.0932 -45.0932 -21.7431 -21.7431 -21.1192 -21.1192 -21.0402 -21.0402 3.3156 3.3156 7.9457 7.9457 12.1544 12.1544 12.7188 12.7188 12.7387 12.7387 14.0281 14.0281 17.4230 17.4230 k = 0.2431-0.1403 0.1985 ( 1748 PWs) bands (ev): -45.0916 -45.0916 -21.7482 -21.7482 -21.1255 -21.1255 -21.0431 -21.0431 3.4115 3.4115 7.8547 7.8547 12.0716 12.0716 12.7686 12.7686 12.7888 12.7888 14.0473 14.0473 17.5517 17.5517 k = 0.2500-0.1443 0.2041 ( 1748 PWs) bands (ev): -45.0899 -45.0899 -21.7532 -21.7532 -21.1317 -21.1317 -21.0461 -21.0461 3.5092 3.5092 7.7658 7.7658 11.9873 11.9873 12.8196 12.8196 12.8402 12.8402 14.0666 14.0666 17.6777 17.6777 k = 0.2569-0.1483 0.2098 ( 1748 PWs) bands (ev): -45.0882 -45.0882 -21.7583 -21.7583 -21.1379 -21.1379 -21.0490 -21.0490 3.6087 3.6087 7.6792 7.6792 11.9017 11.9017 12.8718 12.8718 12.8926 12.8926 14.0860 14.0860 17.8010 17.8010 k = 0.2639-0.1524 0.2155 ( 1748 PWs) bands (ev): -45.0866 -45.0866 -21.7634 -21.7634 -21.1440 -21.1440 -21.0519 -21.0519 3.7099 3.7099 7.5950 7.5950 11.8149 11.8149 12.9251 12.9251 12.9462 12.9462 14.1054 14.1054 17.9215 17.9215 k = 0.2708-0.1564 0.2211 ( 1756 PWs) bands (ev): -45.0849 -45.0849 -21.7685 -21.7685 -21.1500 -21.1500 -21.0549 -21.0549 3.8127 3.8127 7.5130 7.5130 11.7269 11.7269 12.9795 12.9795 13.0009 13.0009 14.1248 14.1248 18.0391 18.0391 k = 0.2778-0.1604 0.2268 ( 1756 PWs) bands (ev): -45.0833 -45.0833 -21.7735 -21.7735 -21.1560 -21.1560 -21.0578 -21.0578 3.9170 3.9170 7.4333 7.4333 11.6380 11.6380 13.0350 13.0350 13.0566 13.0566 14.1441 14.1441 18.1536 18.1536 k = 0.2847-0.1644 0.2325 ( 1756 PWs) bands (ev): -45.0816 -45.0816 -21.7785 -21.7785 -21.1619 -21.1619 -21.0606 -21.0606 4.0228 4.0228 7.3559 7.3559 11.5481 11.5481 13.0914 13.0914 13.1132 13.1132 14.1634 14.1634 18.2651 18.2651 k = 0.2917-0.1684 0.2381 ( 1744 PWs) bands (ev): -45.0800 -45.0800 -21.7835 -21.7835 -21.1677 -21.1677 -21.0635 -21.0635 4.1299 4.1299 7.2809 7.2809 11.4573 11.4573 13.1487 13.1487 13.1707 13.1707 14.1826 14.1826 18.3734 18.3734 k = 0.2986-0.1724 0.2438 ( 1744 PWs) bands (ev): -45.0784 -45.0784 -21.7885 -21.7885 -21.1734 -21.1734 -21.0663 -21.0663 4.2382 4.2382 7.2082 7.2082 11.3658 11.3658 13.2068 13.2068 13.2290 13.2290 14.2016 14.2016 18.4785 18.4785 k = 0.3056-0.1764 0.2495 ( 1744 PWs) bands (ev): -45.0768 -45.0768 -21.7934 -21.7934 -21.1790 -21.1790 -21.0691 -21.0691 4.3476 4.3476 7.1379 7.1379 11.2737 11.2737 13.2656 13.2656 13.2880 13.2880 14.2204 14.2204 18.5804 18.5804 k = 0.3125-0.1804 0.2552 ( 1744 PWs) bands (ev): -45.0753 -45.0753 -21.7982 -21.7982 -21.1845 -21.1845 -21.0718 -21.0718 4.4580 4.4580 7.0699 7.0699 11.1810 11.1810 13.3251 13.3251 13.3477 13.3477 14.2389 14.2389 18.6788 18.6788 k = 0.3194-0.1844 0.2608 ( 1752 PWs) bands (ev): -45.0738 -45.0738 -21.8030 -21.8030 -21.1898 -21.1898 -21.0745 -21.0745 4.5692 4.5692 7.0044 7.0044 11.0878 11.0878 13.3852 13.3852 13.4079 13.4079 14.2572 14.2572 18.7739 18.7739 k = 0.3264-0.1884 0.2665 ( 1752 PWs) bands (ev): -45.0723 -45.0723 -21.8076 -21.8076 -21.1950 -21.1950 -21.0771 -21.0771 4.6812 4.6812 6.9412 6.9412 10.9943 10.9943 13.4457 13.4457 13.4686 13.4686 14.2752 14.2752 18.8656 18.8656 k = 0.3333-0.1925 0.2722 ( 1752 PWs) bands (ev): -45.0708 -45.0708 -21.8122 -21.8122 -21.2001 -21.2001 -21.0797 -21.0797 4.7939 4.7939 6.8804 6.8804 10.9004 10.9004 13.5065 13.5065 13.5296 13.5296 14.2929 14.2929 18.9537 18.9537 k = 0.3403-0.1965 0.2778 ( 1752 PWs) bands (ev): -45.0694 -45.0694 -21.8167 -21.8167 -21.2050 -21.2050 -21.0822 -21.0822 4.9069 4.9069 6.8221 6.8221 10.8063 10.8063 13.5676 13.5676 13.5908 13.5908 14.3102 14.3102 19.0384 19.0384 k = 0.3472-0.2005 0.2835 ( 1752 PWs) bands (ev): -45.0680 -45.0680 -21.8210 -21.8210 -21.2097 -21.2097 -21.0846 -21.0846 5.0203 5.0203 6.7662 6.7662 10.7121 10.7121 13.6287 13.6287 13.6520 13.6520 14.3270 14.3270 19.1195 19.1195 k = 0.3542-0.2045 0.2892 ( 1752 PWs) bands (ev): -45.0667 -45.0667 -21.8252 -21.8252 -21.2143 -21.2143 -21.0870 -21.0870 5.1337 5.1337 6.7127 6.7127 10.6179 10.6179 13.6898 13.6898 13.7131 13.7131 14.3434 14.3434 19.1971 19.1971 k = 0.3611-0.2085 0.2948 ( 1744 PWs) bands (ev): -45.0654 -45.0654 -21.8293 -21.8293 -21.2187 -21.2187 -21.0893 -21.0893 5.2472 5.2472 6.6616 6.6616 10.5237 10.5237 13.7506 13.7506 13.7740 13.7740 14.3593 14.3593 19.2711 19.2711 k = 0.3681-0.2125 0.3005 ( 1744 PWs) bands (ev): -45.0641 -45.0641 -21.8333 -21.8333 -21.2229 -21.2229 -21.0915 -21.0915 5.3603 5.3603 6.6130 6.6130 10.4297 10.4297 13.8111 13.8111 13.8345 13.8345 14.3747 14.3747 19.3415 19.3415 k = 0.3750-0.2165 0.3062 ( 1744 PWs) bands (ev): -45.0629 -45.0629 -21.8371 -21.8371 -21.2269 -21.2269 -21.0936 -21.0936 5.4730 5.4730 6.5669 6.5669 10.3361 10.3361 13.8709 13.8709 13.8943 13.8943 14.3895 14.3895 19.4082 19.4082 k = 0.3819-0.2205 0.3119 ( 1744 PWs) bands (ev): -45.0618 -45.0618 -21.8407 -21.8407 -21.2308 -21.2308 -21.0956 -21.0956 5.5850 5.5850 6.5232 6.5232 10.2429 10.2429 13.9298 13.9298 13.9533 13.9533 14.4038 14.4038 19.4714 19.4714 k = 0.3889-0.2245 0.3175 ( 1744 PWs) bands (ev): -45.0607 -45.0607 -21.8442 -21.8442 -21.2344 -21.2344 -21.0975 -21.0975 5.6960 5.6960 6.4819 6.4819 10.1504 10.1504 13.9878 13.9878 14.0112 14.0112 14.4174 14.4174 19.5309 19.5309 k = 0.3958-0.2285 0.3232 ( 1752 PWs) bands (ev): -45.0596 -45.0596 -21.8475 -21.8475 -21.2379 -21.2379 -21.0994 -21.0994 5.8057 5.8057 6.4432 6.4432 10.0587 10.0587 14.0444 14.0444 14.0677 14.0677 14.4304 14.4304 19.5868 19.5868 k = 0.4028-0.2325 0.3289 ( 1756 PWs) bands (ev): -45.0586 -45.0586 -21.8506 -21.8506 -21.2411 -21.2411 -21.1011 -21.1011 5.9137 5.9137 6.4069 6.4069 9.9681 9.9681 14.0995 14.0995 14.1227 14.1227 14.4427 14.4427 19.6390 19.6390 k = 0.4097-0.2366 0.3345 ( 1748 PWs) bands (ev): -45.0577 -45.0577 -21.8536 -21.8536 -21.2442 -21.2442 -21.1027 -21.1027 6.0198 6.0198 6.3731 6.3731 9.8788 9.8788 14.1527 14.1527 14.1758 14.1758 14.4543 14.4543 19.6876 19.6876 k = 0.4167-0.2406 0.3402 ( 1748 PWs) bands (ev): -45.0569 -45.0569 -21.8563 -21.8563 -21.2470 -21.2470 -21.1042 -21.1042 6.1233 6.1233 6.3418 6.3418 9.7913 9.7913 14.2039 14.2039 14.2268 14.2268 14.4653 14.4653 19.7086 19.7086 k = 0.4236-0.2446 0.3459 ( 1748 PWs) bands (ev): -45.0561 -45.0561 -21.8589 -21.8589 -21.2496 -21.2496 -21.1056 -21.1056 6.2239 6.2239 6.3130 6.3130 9.7059 9.7059 14.2526 14.2526 14.2752 14.2752 14.4755 14.4755 19.6404 19.6404 k = 0.4306-0.2486 0.3515 ( 1748 PWs) bands (ev): -45.0553 -45.0553 -21.8612 -21.8612 -21.2520 -21.2520 -21.1069 -21.1069 6.2866 6.2866 6.3209 6.3209 9.6232 9.6232 14.2986 14.2986 14.3208 14.3208 14.4850 14.4850 19.5772 19.5772 k = 0.4375-0.2526 0.3572 ( 1748 PWs) bands (ev): -45.0546 -45.0546 -21.8634 -21.8634 -21.2542 -21.2542 -21.1081 -21.1081 6.2628 6.2628 6.4136 6.4136 9.5437 9.5437 14.3415 14.3415 14.3633 14.3633 14.4939 14.4939 19.5192 19.5192 k = 0.4444-0.2566 0.3629 ( 1748 PWs) bands (ev): -45.0540 -45.0540 -21.8653 -21.8653 -21.2561 -21.2561 -21.1092 -21.1092 6.2415 6.2415 6.5012 6.5012 9.4682 9.4682 14.3810 14.3810 14.4020 14.4020 14.5021 14.5021 19.4668 19.4668 k = 0.4514-0.2606 0.3686 ( 1748 PWs) bands (ev): -45.0535 -45.0535 -21.8670 -21.8670 -21.2579 -21.2579 -21.1101 -21.1101 6.2226 6.2226 6.5827 6.5827 9.3976 9.3976 14.4168 14.4168 14.4366 14.4366 14.5099 14.5099 19.4200 19.4200 k = 0.4583-0.2646 0.3742 ( 1748 PWs) bands (ev): -45.0530 -45.0530 -21.8685 -21.8685 -21.2594 -21.2594 -21.1109 -21.1109 6.2063 6.2063 6.6572 6.6572 9.3327 9.3327 14.4485 14.4485 14.4663 14.4663 14.5178 14.5178 19.3791 19.3791 k = 0.4653-0.2686 0.3799 ( 1748 PWs) bands (ev): -45.0526 -45.0526 -21.8698 -21.8698 -21.2606 -21.2606 -21.1116 -21.1116 6.1925 6.1925 6.7233 6.7233 9.2747 9.2747 14.4760 14.4760 14.4897 14.4897 14.5268 14.5268 19.3443 19.3443 k = 0.4722-0.2726 0.3856 ( 1756 PWs) bands (ev): -45.0523 -45.0523 -21.8708 -21.8708 -21.2617 -21.2617 -21.1122 -21.1122 6.1812 6.1812 6.7800 6.7800 9.2249 9.2249 14.4989 14.4989 14.5053 14.5053 14.5381 14.5381 19.3155 19.3155 k = 0.4792-0.2766 0.3912 ( 1756 PWs) bands (ev): -45.0521 -45.0521 -21.8716 -21.8716 -21.2625 -21.2625 -21.1126 -21.1126 6.1724 6.1724 6.8258 6.8258 9.1845 9.1845 14.5140 14.5140 14.5169 14.5169 14.5506 14.5506 19.2931 19.2931 k = 0.4861-0.2807 0.3969 ( 1748 PWs) bands (ev): -45.0519 -45.0519 -21.8722 -21.8722 -21.2631 -21.2631 -21.1130 -21.1130 6.1661 6.1661 6.8595 6.8595 9.1546 9.1546 14.5187 14.5187 14.5299 14.5299 14.5612 14.5612 19.2770 19.2770 k = 0.4931-0.2847 0.4026 ( 1756 PWs) bands (ev): -45.0518 -45.0518 -21.8726 -21.8726 -21.2634 -21.2634 -21.1131 -21.1131 6.1624 6.1624 6.8802 6.8802 9.1362 9.1362 14.5211 14.5211 14.5378 14.5378 14.5680 14.5680 19.2673 19.2673 k = 0.5000-0.2887 0.4082 ( 1756 PWs) bands (ev): -45.0517 -45.0517 -21.8727 -21.8727 -21.2636 -21.2636 -21.1132 -21.1132 6.1611 6.1611 6.8872 6.8872 9.1299 9.1299 14.5219 14.5219 14.5405 14.5405 14.5703 14.5703 19.2641 19.2641 k = 0.5000-0.2887 0.4082 ( 1756 PWs) bands (ev): -45.0517 -45.0517 -21.8727 -21.8727 -21.2636 -21.2636 -21.1132 -21.1132 6.1611 6.1611 6.8872 6.8872 9.1299 9.1299 14.5219 14.5219 14.5405 14.5405 14.5703 14.5703 19.2641 19.2641 k = 0.5000-0.2807 0.4139 ( 1756 PWs) bands (ev): -45.0517 -45.0517 -21.8726 -21.8726 -21.2635 -21.2635 -21.1133 -21.1133 6.1614 6.1614 6.8868 6.8868 9.1313 9.1313 14.5201 14.5201 14.5411 14.5411 14.5706 14.5706 19.2615 19.2615 k = 0.5000-0.2726 0.4196 ( 1760 PWs) bands (ev): -45.0517 -45.0517 -21.8725 -21.8725 -21.2635 -21.2635 -21.1135 -21.1135 6.1622 6.1622 6.8855 6.8855 9.1352 9.1352 14.5146 14.5146 14.5429 14.5429 14.5719 14.5719 19.2538 19.2538 k = 0.5000-0.2646 0.4253 ( 1756 PWs) bands (ev): -45.0517 -45.0517 -21.8724 -21.8724 -21.2633 -21.2633 -21.1138 -21.1138 6.1635 6.1635 6.8832 6.8832 9.1418 9.1418 14.5050 14.5050 14.5453 14.5453 14.5750 14.5750 19.2413 19.2413 k = 0.5000-0.2566 0.4309 ( 1760 PWs) bands (ev): -45.0517 -45.0517 -21.8722 -21.8722 -21.2632 -21.2632 -21.1143 -21.1143 6.1654 6.1654 6.8802 6.8802 9.1510 9.1510 14.4910 14.4910 14.5476 14.5476 14.5810 14.5810 19.2241 19.2241 k = 0.5000-0.2486 0.4366 ( 1760 PWs) bands (ev): -45.0517 -45.0517 -21.8719 -21.8719 -21.2630 -21.2630 -21.1149 -21.1149 6.1678 6.1678 6.8762 6.8762 9.1628 9.1628 14.4727 14.4727 14.5493 14.5493 14.5905 14.5905 19.2012 19.2012 k = 0.5000-0.2406 0.4423 ( 1752 PWs) bands (ev): -45.0517 -45.0517 -21.8715 -21.8715 -21.2627 -21.2627 -21.1156 -21.1156 6.1707 6.1707 6.8714 6.8714 9.1771 9.1771 14.4501 14.4501 14.5503 14.5503 14.6033 14.6033 19.0965 19.0965 k = 0.5000-0.2325 0.4479 ( 1752 PWs) bands (ev): -45.0517 -45.0517 -21.8711 -21.8711 -21.2624 -21.2624 -21.1164 -21.1164 6.1742 6.1742 6.8658 6.8658 9.1940 9.1940 14.4233 14.4233 14.5510 14.5510 14.6192 14.6192 18.9747 18.9747 k = 0.5000-0.2245 0.4536 ( 1752 PWs) bands (ev): -45.0517 -45.0517 -21.8707 -21.8707 -21.2621 -21.2621 -21.1174 -21.1174 6.1782 6.1782 6.8594 6.8594 9.2133 9.2133 14.3925 14.3925 14.5515 14.5515 14.6379 14.6379 18.8542 18.8542 k = 0.5000-0.2165 0.4593 ( 1752 PWs) bands (ev): -45.0517 -45.0517 -21.8702 -21.8702 -21.2617 -21.2617 -21.1185 -21.1185 6.1827 6.1827 6.8521 6.8521 9.2349 9.2349 14.3578 14.3578 14.5518 14.5518 14.6595 14.6595 18.7352 18.7352 k = 0.5000-0.2085 0.4649 ( 1752 PWs) bands (ev): -45.0517 -45.0517 -21.8696 -21.8696 -21.2612 -21.2612 -21.1196 -21.1196 6.1877 6.1877 6.8442 6.8442 9.2589 9.2589 14.3194 14.3194 14.5521 14.5521 14.6837 14.6837 18.6177 18.6177 k = 0.5000-0.2005 0.4706 ( 1750 PWs) bands (ev): -45.0517 -45.0517 -21.8690 -21.8690 -21.2608 -21.2608 -21.1209 -21.1209 6.1933 6.1933 6.8354 6.8354 9.2851 9.2851 14.2774 14.2774 14.5523 14.5523 14.7104 14.7104 18.5018 18.5018 k = 0.5000-0.1925 0.4763 ( 1746 PWs) bands (ev): -45.0517 -45.0517 -21.8684 -21.8684 -21.2602 -21.2602 -21.1223 -21.1223 6.1994 6.1994 6.8260 6.8260 9.3134 9.3134 14.2320 14.2320 14.5525 14.5525 14.7397 14.7397 18.3874 18.3874 k = 0.5000-0.1844 0.4820 ( 1750 PWs) bands (ev): -45.0517 -45.0517 -21.8677 -21.8677 -21.2597 -21.2597 -21.1238 -21.1238 6.2060 6.2060 6.8159 6.8159 9.3437 9.3437 14.1836 14.1836 14.5527 14.5527 14.7714 14.7714 18.2746 18.2746 k = 0.5000-0.1764 0.4876 ( 1750 PWs) bands (ev): -45.0517 -45.0517 -21.8670 -21.8670 -21.2591 -21.2591 -21.1253 -21.1253 6.2131 6.2131 6.8051 6.8051 9.3760 9.3760 14.1322 14.1322 14.5529 14.5529 14.8055 14.8055 18.1633 18.1633 k = 0.5000-0.1684 0.4933 ( 1756 PWs) bands (ev): -45.0517 -45.0517 -21.8663 -21.8663 -21.2584 -21.2584 -21.1269 -21.1269 6.2207 6.2207 6.7937 6.7937 9.4099 9.4099 14.0783 14.0783 14.5530 14.5530 14.8420 14.8420 18.0535 18.0535 k = 0.5000-0.1604 0.4990 ( 1758 PWs) bands (ev): -45.0517 -45.0517 -21.8655 -21.8655 -21.2577 -21.2577 -21.1286 -21.1286 6.2287 6.2287 6.7818 6.7818 9.4455 9.4455 14.0221 14.0221 14.5532 14.5532 14.8809 14.8809 17.9452 17.9452 k = 0.5000-0.1524 0.5046 ( 1754 PWs) bands (ev): -45.0517 -45.0517 -21.8648 -21.8648 -21.2570 -21.2570 -21.1303 -21.1303 6.2373 6.2373 6.7693 6.7693 9.4825 9.4825 13.9639 13.9639 14.5534 14.5534 14.9220 14.9220 17.8384 17.8384 k = 0.5000-0.1443 0.5103 ( 1762 PWs) bands (ev): -45.0517 -45.0517 -21.8640 -21.8640 -21.2563 -21.2563 -21.1321 -21.1321 6.2464 6.2464 6.7563 6.7563 9.5208 9.5208 13.9041 13.9041 14.5535 14.5535 14.9654 14.9654 17.7331 17.7331 k = 0.5000-0.1363 0.5160 ( 1758 PWs) bands (ev): -45.0517 -45.0517 -21.8632 -21.8632 -21.2555 -21.2555 -21.1339 -21.1339 6.2559 6.2559 6.7429 6.7429 9.5601 9.5601 13.8431 13.8431 14.5537 14.5537 15.0109 15.0109 17.6292 17.6292 k = 0.5000-0.1283 0.5217 ( 1758 PWs) bands (ev): -45.0517 -45.0517 -21.8625 -21.8625 -21.2547 -21.2547 -21.1357 -21.1357 6.2659 6.2659 6.7290 6.7290 9.6001 9.6001 13.7814 13.7814 14.5538 14.5538 15.0587 15.0587 17.5268 17.5268 k = 0.5000-0.1203 0.5273 ( 1754 PWs) bands (ev): -45.0517 -45.0517 -21.8617 -21.8617 -21.2539 -21.2539 -21.1375 -21.1375 6.2763 6.2763 6.7147 6.7147 9.6407 9.6407 13.7192 13.7192 14.5540 14.5540 15.1086 15.1086 17.4259 17.4259 k = 0.5000-0.1123 0.5330 ( 1758 PWs) bands (ev): -45.0517 -45.0517 -21.8610 -21.8610 -21.2531 -21.2531 -21.1393 -21.1393 6.2872 6.2872 6.7001 6.7001 9.6815 9.6815 13.6572 13.6572 14.5541 14.5541 15.1605 15.1605 17.3263 17.3263 k = 0.5000-0.1042 0.5387 ( 1762 PWs) bands (ev): -45.0517 -45.0517 -21.8603 -21.8603 -21.2522 -21.2522 -21.1411 -21.1411 6.2985 6.2985 6.6852 6.6852 9.7222 9.7222 13.5959 13.5959 14.5542 14.5542 15.2145 15.2145 17.2283 17.2283 k = 0.5000-0.0962 0.5443 ( 1766 PWs) bands (ev): -45.0517 -45.0517 -21.8596 -21.8596 -21.2514 -21.2514 -21.1428 -21.1428 6.3103 6.3103 6.6700 6.6700 9.7625 9.7625 13.5357 13.5357 14.5544 14.5544 15.2705 15.2705 17.1317 17.1317 k = 0.5000-0.0882 0.5500 ( 1758 PWs) bands (ev): -45.0517 -45.0517 -21.8590 -21.8590 -21.2506 -21.2506 -21.1445 -21.1445 6.3224 6.3224 6.6546 6.6546 9.8019 9.8019 13.4771 13.4771 14.5545 14.5545 15.3285 15.3285 17.0365 17.0365 k = 0.5000-0.0802 0.5557 ( 1758 PWs) bands (ev): -45.0517 -45.0517 -21.8583 -21.8583 -21.2498 -21.2498 -21.1461 -21.1461 6.3349 6.3349 6.6390 6.6390 9.8402 9.8402 13.4209 13.4209 14.5546 14.5546 15.3884 15.3884 16.9427 16.9427 k = 0.5000-0.0722 0.5613 ( 1754 PWs) bands (ev): -45.0517 -45.0517 -21.8578 -21.8578 -21.2490 -21.2490 -21.1476 -21.1476 6.3478 6.3478 6.6232 6.6232 9.8768 9.8768 13.3675 13.3675 14.5547 14.5547 15.4502 15.4502 16.8504 16.8504 k = 0.5000-0.0642 0.5670 ( 1756 PWs) bands (ev): -45.0516 -45.0516 -21.8572 -21.8572 -21.2483 -21.2483 -21.1490 -21.1490 6.3611 6.3611 6.6074 6.6074 9.9113 9.9113 13.3176 13.3176 14.5548 14.5548 15.5139 15.5139 16.7595 16.7595 k = 0.5000-0.0561 0.5727 ( 1760 PWs) bands (ev): -45.0516 -45.0516 -21.8568 -21.8568 -21.2477 -21.2477 -21.1503 -21.1503 6.3747 6.3747 6.5914 6.5914 9.9432 9.9432 13.2717 13.2717 14.5549 14.5549 15.5794 15.5794 16.6701 16.6701 k = 0.5000-0.0481 0.5784 ( 1756 PWs) bands (ev): -45.0516 -45.0516 -21.8564 -21.8564 -21.2470 -21.2470 -21.1515 -21.1515 6.3885 6.3885 6.5755 6.5755 9.9721 9.9721 13.2305 13.2305 14.5550 14.5550 15.6466 15.6466 16.5821 16.5821 k = 0.5000-0.0401 0.5840 ( 1756 PWs) bands (ev): -45.0516 -45.0516 -21.8560 -21.8560 -21.2465 -21.2465 -21.1525 -21.1525 6.4027 6.4027 6.5596 6.5596 9.9975 9.9975 13.1945 13.1945 14.5550 14.5550 15.7156 15.7156 16.4957 16.4957 k = 0.5000-0.0321 0.5897 ( 1756 PWs) bands (ev): -45.0516 -45.0516 -21.8557 -21.8557 -21.2460 -21.2460 -21.1534 -21.1534 6.4170 6.4170 6.5438 6.5438 10.0190 10.0190 13.1642 13.1642 14.5551 14.5551 15.7863 15.7863 16.4107 16.4107 k = 0.5000-0.0241 0.5954 ( 1756 PWs) bands (ev): -45.0516 -45.0516 -21.8555 -21.8555 -21.2457 -21.2457 -21.1541 -21.1541 6.4314 6.4314 6.5282 6.5282 10.0362 10.0362 13.1401 13.1401 14.5551 14.5551 15.8588 15.8588 16.3272 16.3272 k = 0.5000-0.0160 0.6010 ( 1758 PWs) bands (ev): -45.0516 -45.0516 -21.8553 -21.8553 -21.2454 -21.2454 -21.1546 -21.1546 6.4458 6.4458 6.5130 6.5130 10.0487 10.0487 13.1226 13.1226 14.5552 14.5552 15.9328 15.9328 16.2452 16.2452 k = 0.5000-0.0080 0.6067 ( 1768 PWs) bands (ev): -45.0516 -45.0516 -21.8552 -21.8552 -21.2452 -21.2452 -21.1548 -21.1548 6.4591 6.4591 6.4992 6.4992 10.0563 10.0563 13.1119 13.1119 14.5552 14.5552 16.0085 16.0085 16.1647 16.1647 k = 0.5000-0.0000 0.6124 ( 1768 PWs) bands (ev): -45.0516 -45.0516 -21.8552 -21.8552 -21.2452 -21.2452 -21.1549 -21.1549 6.4664 6.4664 6.4917 6.4917 10.0589 10.0589 13.1084 13.1084 14.5552 14.5552 16.0852 16.0852 16.0865 16.0865 k = 0.5000-0.0000 0.6124 ( 1768 PWs) bands (ev): -45.0516 -45.0516 -21.8552 -21.8552 -21.2452 -21.2452 -21.1549 -21.1549 6.4664 6.4664 6.4917 6.4917 10.0589 10.0589 13.1084 13.1084 14.5552 14.5552 16.0852 16.0852 16.0865 16.0865 k = 0.4952 0.0083 0.6124 ( 1768 PWs) bands (ev): -45.0516 -45.0516 -21.8552 -21.8552 -21.2452 -21.2452 -21.1548 -21.1548 6.4617 6.4617 6.4958 6.4958 10.0583 10.0583 13.1102 13.1102 14.5537 14.5537 16.0337 16.0337 16.1385 16.1385 k = 0.4904 0.0167 0.6124 ( 1761 PWs) bands (ev): -45.0517 -45.0517 -21.8552 -21.8552 -21.2453 -21.2453 -21.1545 -21.1545 6.4509 6.4509 6.5049 6.5049 10.0565 10.0565 13.1159 13.1159 14.5494 14.5494 15.9855 15.9855 16.1881 16.1881 k = 0.4856 0.0250 0.6124 ( 1761 PWs) bands (ev): -45.0517 -45.0517 -21.8552 -21.8552 -21.2455 -21.2455 -21.1540 -21.1540 6.4372 6.4372 6.5158 6.5158 10.0534 10.0534 13.1252 13.1252 14.5423 14.5423 15.9413 15.9413 16.2340 16.2340 k = 0.4808 0.0333 0.6124 ( 1759 PWs) bands (ev): -45.0518 -45.0518 -21.8552 -21.8552 -21.2458 -21.2458 -21.1532 -21.1532 6.4219 6.4219 6.5277 6.5277 10.0490 10.0490 13.1380 13.1380 14.5324 14.5324 15.9011 15.9011 16.2755 16.2755 k = 0.4760 0.0416 0.6124 ( 1759 PWs) bands (ev): -45.0518 -45.0518 -21.8552 -21.8552 -21.2461 -21.2461 -21.1523 -21.1523 6.4054 6.4054 6.5400 6.5400 10.0433 10.0433 13.1542 13.1542 14.5199 14.5199 15.8649 15.8649 16.3124 16.3124 k = 0.4712 0.0500 0.6124 ( 1763 PWs) bands (ev): -45.0519 -45.0519 -21.8553 -21.8553 -21.2465 -21.2465 -21.1513 -21.1513 6.3882 6.3882 6.5526 6.5526 10.0363 10.0363 13.1735 13.1735 14.5049 14.5049 15.8325 15.8325 16.3442 16.3442 k = 0.4663 0.0583 0.6124 ( 1765 PWs) bands (ev): -45.0520 -45.0520 -21.8553 -21.8553 -21.2470 -21.2470 -21.1501 -21.1501 6.3705 6.3705 6.5653 6.5653 10.0283 10.0283 13.1957 13.1957 14.4879 14.4879 15.8038 15.8038 16.3708 16.3708 k = 0.4615 0.0666 0.6124 ( 1759 PWs) bands (ev): -45.0521 -45.0521 -21.8554 -21.8554 -21.2475 -21.2475 -21.1487 -21.1487 6.3525 6.3525 6.5781 6.5781 10.0193 10.0193 13.2203 13.2203 14.4689 14.4689 15.7786 15.7786 16.3920 16.3920 k = 0.4567 0.0749 0.6124 ( 1759 PWs) bands (ev): -45.0522 -45.0522 -21.8554 -21.8554 -21.2480 -21.2480 -21.1473 -21.1473 6.3343 6.3343 6.5908 6.5908 10.0094 10.0094 13.2472 13.2472 14.4485 14.4485 15.7566 15.7566 16.4079 16.4079 k = 0.4519 0.0833 0.6124 ( 1759 PWs) bands (ev): -45.0522 -45.0522 -21.8555 -21.8555 -21.2486 -21.2486 -21.1458 -21.1458 6.3163 6.3163 6.6034 6.6034 9.9989 9.9989 13.2757 13.2757 14.4269 14.4269 15.7376 15.7376 16.4188 16.4188 k = 0.4471 0.0916 0.6124 ( 1757 PWs) bands (ev): -45.0523 -45.0523 -21.8556 -21.8556 -21.2492 -21.2492 -21.1442 -21.1442 6.2985 6.2985 6.6157 6.6157 9.9879 9.9879 13.3057 13.3057 14.4046 14.4046 15.7213 15.7213 16.4251 16.4251 k = 0.4423 0.0999 0.6124 ( 1759 PWs) bands (ev): -45.0524 -45.0524 -21.8557 -21.8557 -21.2498 -21.2498 -21.1426 -21.1426 6.2812 6.2812 6.6278 6.6278 9.9767 9.9767 13.3366 13.3366 14.3818 14.3818 15.7074 15.7074 16.4271 16.4271 k = 0.4375 0.1083 0.6124 ( 1755 PWs) bands (ev): -45.0525 -45.0525 -21.8558 -21.8558 -21.2505 -21.2505 -21.1411 -21.1411 6.2645 6.2645 6.6394 6.6394 9.9653 9.9653 13.3680 13.3680 14.3590 14.3590 15.6956 15.6956 16.4255 16.4255 k = 0.4327 0.1166 0.6124 ( 1761 PWs) bands (ev): -45.0526 -45.0526 -21.8558 -21.8558 -21.2511 -21.2511 -21.1395 -21.1395 6.2484 6.2484 6.6505 6.6505 9.9541 9.9541 13.3994 13.3994 14.3366 14.3366 15.6857 15.6857 16.4208 16.4208 k = 0.4279 0.1249 0.6124 ( 1759 PWs) bands (ev): -45.0527 -45.0527 -21.8559 -21.8559 -21.2517 -21.2517 -21.1380 -21.1380 6.2332 6.2332 6.6610 6.6610 9.9430 9.9430 13.4305 13.4305 14.3147 14.3147 15.6774 15.6774 16.4135 16.4135 k = 0.4231 0.1332 0.6124 ( 1763 PWs) bands (ev): -45.0528 -45.0528 -21.8560 -21.8560 -21.2523 -21.2523 -21.1365 -21.1365 6.2190 6.2190 6.6709 6.6709 9.9324 9.9324 13.4607 13.4607 14.2938 14.2938 15.6705 15.6705 16.4044 16.4044 k = 0.4183 0.1416 0.6124 ( 1757 PWs) bands (ev): -45.0529 -45.0529 -21.8561 -21.8561 -21.2528 -21.2528 -21.1352 -21.1352 6.2058 6.2058 6.6800 6.6800 9.9224 9.9224 13.4897 13.4897 14.2741 14.2741 15.6648 15.6648 16.3940 16.3940 k = 0.4135 0.1499 0.6124 ( 1757 PWs) bands (ev): -45.0530 -45.0530 -21.8562 -21.8562 -21.2533 -21.2533 -21.1339 -21.1339 6.1938 6.1938 6.6884 6.6884 9.9130 9.9130 13.5170 13.5170 14.2558 14.2558 15.6602 15.6602 16.3829 16.3829 k = 0.4087 0.1582 0.6124 ( 1759 PWs) bands (ev): -45.0530 -45.0530 -21.8563 -21.8563 -21.2538 -21.2538 -21.1327 -21.1327 6.1829 6.1829 6.6960 6.6960 9.9045 9.9045 13.5422 13.5422 14.2392 14.2392 15.6564 15.6564 16.3717 16.3717 k = 0.4038 0.1665 0.6124 ( 1757 PWs) bands (ev): -45.0531 -45.0531 -21.8564 -21.8564 -21.2542 -21.2542 -21.1317 -21.1317 6.1734 6.1734 6.7026 6.7026 9.8968 9.8968 13.5649 13.5649 14.2245 14.2245 15.6534 15.6534 16.3608 16.3608 k = 0.3990 0.1749 0.6124 ( 1756 PWs) bands (ev): -45.0532 -45.0532 -21.8564 -21.8564 -21.2545 -21.2545 -21.1308 -21.1308 6.1653 6.1653 6.7083 6.7083 9.8902 9.8902 13.5848 13.5848 14.2117 14.2117 15.6510 15.6510 16.3508 16.3508 k = 0.3942 0.1832 0.6124 ( 1752 PWs) bands (ev): -45.0532 -45.0532 -21.8565 -21.8565 -21.2548 -21.2548 -21.1301 -21.1301 6.1585 6.1585 6.7131 6.7131 9.8847 9.8847 13.6016 13.6016 14.2011 14.2011 15.6492 15.6492 16.3420 16.3420 k = 0.3894 0.1915 0.6124 ( 1752 PWs) bands (ev): -45.0532 -45.0532 -21.8565 -21.8565 -21.2550 -21.2550 -21.1295 -21.1295 6.1532 6.1532 6.7168 6.7168 9.8804 9.8804 13.6149 13.6149 14.1928 14.1928 15.6479 15.6479 16.3348 16.3348 k = 0.3846 0.1999 0.6124 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2552 -21.2552 -21.1290 -21.1290 6.1494 6.1494 6.7195 6.7195 9.8772 9.8772 13.6246 13.6246 14.1868 14.1868 15.6469 15.6469 16.3294 16.3294 k = 0.3798 0.2082 0.6124 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2553 -21.2553 -21.1288 -21.1288 6.1471 6.1471 6.7211 6.7211 9.8753 9.8753 13.6305 13.6305 14.1831 14.1831 15.6464 15.6464 16.3261 16.3261 k = 0.3750 0.2165 0.6124 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2553 -21.2553 -21.1287 -21.1287 6.1464 6.1464 6.7216 6.7216 9.8747 9.8747 13.6325 13.6325 14.1819 14.1819 15.6462 15.6462 16.3250 16.3250 k = 0.3750 0.2165 0.6124 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2553 -21.2553 -21.1287 -21.1287 6.1464 6.1464 6.7216 6.7216 9.8747 9.8747 13.6325 13.6325 14.1819 14.1819 15.6462 15.6462 16.3250 16.3250 k = 0.3701 0.2137 0.6043 ( 1752 PWs) bands (ev): -45.0535 -45.0535 -21.8556 -21.8556 -21.2549 -21.2549 -21.1282 -21.1282 6.1302 6.1302 6.7170 6.7170 9.9253 9.9253 13.5867 13.5867 14.1531 14.1531 15.7232 15.7232 16.2311 16.2311 k = 0.3651 0.2108 0.5963 ( 1750 PWs) bands (ev): -45.0538 -45.0538 -21.8545 -21.8545 -21.2545 -21.2545 -21.1275 -21.1275 6.1114 6.1114 6.7134 6.7134 9.9765 9.9765 13.5419 13.5419 14.1234 14.1234 15.8016 15.8016 16.1425 16.1425 k = 0.3602 0.2080 0.5882 ( 1758 PWs) bands (ev): -45.0541 -45.0541 -21.8535 -21.8535 -21.2540 -21.2540 -21.1266 -21.1266 6.0897 6.0897 6.7108 6.7108 10.0283 10.0283 13.4980 13.4980 14.0928 14.0928 15.8811 15.8811 16.0591 16.0591 k = 0.3553 0.2051 0.5801 ( 1766 PWs) bands (ev): -45.0545 -45.0545 -21.8524 -21.8524 -21.2534 -21.2534 -21.1255 -21.1255 6.0650 6.0650 6.7094 6.7094 10.0806 10.0806 13.4552 13.4552 14.0613 14.0613 15.9595 15.9595 15.9830 15.9830 k = 0.3503 0.2023 0.5721 ( 1766 PWs) bands (ev): -45.0548 -45.0548 -21.8513 -21.8513 -21.2528 -21.2528 -21.1243 -21.1243 6.0372 6.0372 6.7091 6.7091 10.1333 10.1333 13.4136 13.4136 14.0289 14.0289 15.9065 15.9065 16.0441 16.0441 k = 0.3454 0.1994 0.5640 ( 1766 PWs) bands (ev): -45.0552 -45.0552 -21.8502 -21.8502 -21.2521 -21.2521 -21.1229 -21.1229 6.0061 6.0061 6.7102 6.7102 10.1863 10.1863 13.3733 13.3733 13.9957 13.9957 15.8380 15.8380 16.1262 16.1262 k = 0.3405 0.1966 0.5560 ( 1766 PWs) bands (ev): -45.0557 -45.0557 -21.8491 -21.8491 -21.2513 -21.2513 -21.1213 -21.1213 5.9718 5.9718 6.7126 6.7126 10.2395 10.2395 13.3343 13.3343 13.9617 13.9617 15.7738 15.7738 16.2090 16.2090 k = 0.3355 0.1937 0.5479 ( 1766 PWs) bands (ev): -45.0561 -45.0561 -21.8479 -21.8479 -21.2504 -21.2504 -21.1196 -21.1196 5.9341 5.9341 6.7165 6.7165 10.2931 10.2931 13.2967 13.2967 13.9269 13.9269 15.7138 15.7138 16.2921 16.2921 k = 0.3306 0.1909 0.5399 ( 1766 PWs) bands (ev): -45.0567 -45.0567 -21.8466 -21.8466 -21.2493 -21.2493 -21.1177 -21.1177 5.8929 5.8929 6.7219 6.7219 10.3468 10.3468 13.2606 13.2606 13.8914 13.8914 15.6576 15.6576 16.3754 16.3754 k = 0.3257 0.1880 0.5318 ( 1766 PWs) bands (ev): -45.0572 -45.0572 -21.8453 -21.8453 -21.2482 -21.2482 -21.1156 -21.1156 5.8483 5.8483 6.7289 6.7289 10.4006 10.4006 13.2261 13.2261 13.8552 13.8552 15.6049 15.6049 16.4585 16.4585 k = 0.3207 0.1852 0.5237 ( 1764 PWs) bands (ev): -45.0578 -45.0578 -21.8439 -21.8439 -21.2469 -21.2469 -21.1134 -21.1134 5.8002 5.8002 6.7376 6.7376 10.4547 10.4547 13.1931 13.1931 13.8183 13.8183 15.5552 15.5552 16.5413 16.5413 k = 0.3158 0.1823 0.5157 ( 1766 PWs) bands (ev): -45.0584 -45.0584 -21.8425 -21.8425 -21.2454 -21.2454 -21.1112 -21.1112 5.7486 5.7486 6.7479 6.7479 10.5088 10.5088 13.1617 13.1617 13.7808 13.7808 15.5081 15.5081 16.6235 16.6235 k = 0.3109 0.1795 0.5076 ( 1766 PWs) bands (ev): -45.0591 -45.0591 -21.8410 -21.8410 -21.2438 -21.2438 -21.1087 -21.1087 5.6937 5.6937 6.7601 6.7601 10.5631 10.5631 13.1320 13.1320 13.7426 13.7426 15.4631 15.4631 16.7049 16.7049 k = 0.3059 0.1766 0.4996 ( 1776 PWs) bands (ev): -45.0598 -45.0598 -21.8394 -21.8394 -21.2421 -21.2421 -21.1062 -21.1062 5.6353 5.6353 6.7741 6.7741 10.6176 10.6176 13.1040 13.1040 13.7039 13.7039 15.4199 15.4199 16.7852 16.7852 k = 0.3010 0.1738 0.4915 ( 1778 PWs) bands (ev): -45.0605 -45.0605 -21.8377 -21.8377 -21.2401 -21.2401 -21.1036 -21.1036 5.5738 5.5738 6.7901 6.7901 10.6721 10.6721 13.0777 13.0777 13.6647 13.6647 15.3779 15.3779 16.8641 16.8641 k = 0.2961 0.1709 0.4835 ( 1776 PWs) bands (ev): -45.0613 -45.0613 -21.8359 -21.8359 -21.2380 -21.2380 -21.1009 -21.1009 5.5090 5.5090 6.8080 6.8080 10.7268 10.7268 13.0532 13.0532 13.6250 13.6250 15.3366 15.3366 16.9412 16.9412 k = 0.2911 0.1681 0.4754 ( 1772 PWs) bands (ev): -45.0622 -45.0622 -21.8340 -21.8340 -21.2357 -21.2357 -21.0982 -21.0982 5.4412 5.4412 6.8279 6.8279 10.7816 10.7816 13.0305 13.0305 13.5848 13.5848 15.2958 15.2958 17.0164 17.0164 k = 0.2862 0.1652 0.4673 ( 1772 PWs) bands (ev): -45.0630 -45.0630 -21.8319 -21.8319 -21.2333 -21.2333 -21.0953 -21.0953 5.3705 5.3705 6.8499 6.8499 10.8364 10.8364 13.0096 13.0096 13.5443 13.5443 15.2550 15.2550 17.0891 17.0891 k = 0.2812 0.1624 0.4593 ( 1772 PWs) bands (ev): -45.0639 -45.0639 -21.8298 -21.8298 -21.2307 -21.2307 -21.0924 -21.0924 5.2971 5.2971 6.8740 6.8740 10.8913 10.8913 12.9905 12.9905 13.5033 13.5033 15.2139 15.2139 17.1591 17.1591 k = 0.2763 0.1595 0.4512 ( 1774 PWs) bands (ev): -45.0649 -45.0649 -21.8275 -21.8275 -21.2278 -21.2278 -21.0895 -21.0895 5.2211 5.2211 6.9002 6.9002 10.9463 10.9463 12.9732 12.9732 13.4621 13.4621 15.1722 15.1722 17.2260 17.2260 k = 0.2714 0.1567 0.4432 ( 1766 PWs) bands (ev): -45.0659 -45.0659 -21.8251 -21.8251 -21.2249 -21.2249 -21.0865 -21.0865 5.1426 5.1426 6.9287 6.9287 11.0012 11.0012 12.9578 12.9578 13.4205 13.4205 15.1297 15.1297 17.2893 17.2893 k = 0.2664 0.1538 0.4351 ( 1766 PWs) bands (ev): -45.0669 -45.0669 -21.8226 -21.8226 -21.2217 -21.2217 -21.0834 -21.0834 5.0619 5.0619 6.9594 6.9594 11.0560 11.0560 12.9442 12.9442 13.3788 13.3788 15.0862 15.0862 17.3487 17.3487 k = 0.2615 0.1510 0.4270 ( 1766 PWs) bands (ev): -45.0680 -45.0680 -21.8199 -21.8199 -21.2183 -21.2183 -21.0804 -21.0804 4.9791 4.9791 6.9924 6.9924 11.1108 11.1108 12.9324 12.9324 13.3368 13.3368 15.0415 15.0415 17.4037 17.4037 k = 0.2566 0.1481 0.4190 ( 1770 PWs) bands (ev): -45.0691 -45.0691 -21.8170 -21.8170 -21.2148 -21.2148 -21.0773 -21.0773 4.8945 4.8945 7.0277 7.0277 11.1653 11.1653 12.9224 12.9224 13.2947 13.2947 14.9957 14.9957 17.4539 17.4539 k = 0.2516 0.1453 0.4109 ( 1780 PWs) bands (ev): -45.0703 -45.0703 -21.8140 -21.8140 -21.2111 -21.2111 -21.0742 -21.0742 4.8082 4.8082 7.0654 7.0654 11.2195 11.2195 12.9142 12.9142 13.2525 13.2525 14.9486 14.9486 17.4989 17.4989 k = 0.2467 0.1424 0.4029 ( 1772 PWs) bands (ev): -45.0715 -45.0715 -21.8109 -21.8109 -21.2073 -21.2073 -21.0711 -21.0711 4.7204 4.7204 7.1054 7.1054 11.2734 11.2734 12.9078 12.9078 13.2102 13.2102 14.9003 14.9003 17.5381 17.5381 k = 0.2418 0.1396 0.3948 ( 1764 PWs) bands (ev): -45.0727 -45.0727 -21.8076 -21.8076 -21.2033 -21.2033 -21.0679 -21.0679 4.6313 4.6313 7.1479 7.1479 11.3268 11.3268 12.9033 12.9033 13.1679 13.1679 14.8508 14.8508 17.5712 17.5712 k = 0.2368 0.1367 0.3868 ( 1764 PWs) bands (ev): -45.0740 -45.0740 -21.8042 -21.8042 -21.1991 -21.1991 -21.0648 -21.0648 4.5411 4.5411 7.1928 7.1928 11.3796 11.3796 12.9004 12.9004 13.1257 13.1257 14.8002 14.8002 17.5977 17.5977 k = 0.2319 0.1339 0.3787 ( 1764 PWs) bands (ev): -45.0753 -45.0753 -21.8006 -21.8006 -21.1948 -21.1948 -21.0617 -21.0617 4.4500 4.4500 7.2402 7.2402 11.4317 11.4317 12.8993 12.8993 13.0836 13.0836 14.7487 14.7487 17.6172 17.6172 k = 0.2270 0.1310 0.3706 ( 1768 PWs) bands (ev): -45.0766 -45.0766 -21.7969 -21.7969 -21.1903 -21.1903 -21.0586 -21.0586 4.3581 4.3581 7.2900 7.2900 11.4829 11.4829 12.8998 12.8998 13.0416 13.0416 14.6963 14.6963 17.6293 17.6293 k = 0.2220 0.1282 0.3626 ( 1768 PWs) bands (ev): -45.0779 -45.0779 -21.7930 -21.7930 -21.1856 -21.1856 -21.0555 -21.0555 4.2657 4.2657 7.3424 7.3424 11.5332 11.5332 12.9019 12.9019 12.9999 12.9999 14.6432 14.6432 17.6337 17.6337 k = 0.2171 0.1253 0.3545 ( 1768 PWs) bands (ev): -45.0793 -45.0793 -21.7891 -21.7891 -21.1809 -21.1809 -21.0525 -21.0525 4.1729 4.1729 7.3973 7.3973 11.5824 11.5824 12.9052 12.9052 12.9589 12.9589 14.5897 14.5897 17.6301 17.6301 k = 0.2122 0.1225 0.3465 ( 1768 PWs) bands (ev): -45.0807 -45.0807 -21.7849 -21.7849 -21.1760 -21.1760 -21.0494 -21.0494 4.0799 4.0799 7.4547 7.4547 11.6302 11.6302 12.9051 12.9051 12.9232 12.9232 14.5359 14.5359 17.6183 17.6183 k = 0.2072 0.1196 0.3384 ( 1768 PWs) bands (ev): -45.0822 -45.0822 -21.7807 -21.7807 -21.1709 -21.1709 -21.0464 -21.0464 3.9869 3.9869 7.5147 7.5147 11.6767 11.6767 12.8730 12.8730 12.9212 12.9212 14.4820 14.4820 17.5980 17.5980 k = 0.2023 0.1168 0.3304 ( 1769 PWs) bands (ev): -45.0836 -45.0836 -21.7764 -21.7764 -21.1657 -21.1657 -21.0435 -21.0435 3.8940 3.8940 7.5773 7.5773 11.7216 11.7216 12.8330 12.8330 12.9291 12.9291 14.4283 14.4283 17.5693 17.5693 k = 0.1974 0.1140 0.3223 ( 1769 PWs) bands (ev): -45.0851 -45.0851 -21.7719 -21.7719 -21.1604 -21.1604 -21.0405 -21.0405 3.8013 3.8013 7.6424 7.6424 11.7647 11.7647 12.7928 12.7928 12.9390 12.9390 14.3749 14.3749 17.5321 17.5321 k = 0.1924 0.1111 0.3142 ( 1769 PWs) bands (ev): -45.0866 -45.0866 -21.7674 -21.7674 -21.1550 -21.1550 -21.0376 -21.0376 3.7091 3.7091 7.7101 7.7101 11.8060 11.8060 12.7529 12.7529 12.9504 12.9504 14.3221 14.3221 17.4864 17.4864 k = 0.1875 0.1083 0.3062 ( 1761 PWs) bands (ev): -45.0881 -45.0881 -21.7628 -21.7628 -21.1495 -21.1495 -21.0348 -21.0348 3.6175 3.6175 7.7804 7.7804 11.8451 11.8451 12.7134 12.7134 12.9633 12.9633 14.2701 14.2701 17.4324 17.4324 k = 0.1826 0.1054 0.2981 ( 1769 PWs) bands (ev): -45.0896 -45.0896 -21.7581 -21.7581 -21.1439 -21.1439 -21.0320 -21.0320 3.5266 3.5266 7.8533 7.8533 11.8820 11.8820 12.6744 12.6744 12.9776 12.9776 14.2192 14.2192 17.3702 17.3702 k = 0.1776 0.1026 0.2901 ( 1769 PWs) bands (ev): -45.0912 -45.0912 -21.7534 -21.7534 -21.1382 -21.1382 -21.0293 -21.0293 3.4365 3.4365 7.9288 7.9288 11.9165 11.9165 12.6359 12.6359 12.9931 12.9931 14.1696 14.1696 17.3001 17.3001 k = 0.1727 0.0997 0.2820 ( 1769 PWs) bands (ev): -45.0927 -45.0927 -21.7486 -21.7486 -21.1324 -21.1324 -21.0266 -21.0266 3.3474 3.3474 8.0068 8.0068 11.9484 11.9484 12.5980 12.5980 13.0098 13.0098 14.1216 14.1216 17.2224 17.2224 k = 0.1678 0.0969 0.2740 ( 1769 PWs) bands (ev): -45.0943 -45.0943 -21.7438 -21.7438 -21.1265 -21.1265 -21.0240 -21.0240 3.2595 3.2595 8.0874 8.0874 11.9776 11.9776 12.5606 12.5606 13.0276 13.0276 14.0753 14.0753 17.1373 17.1373 k = 0.1628 0.0940 0.2659 ( 1763 PWs) bands (ev): -45.0958 -45.0958 -21.7390 -21.7390 -21.1206 -21.1206 -21.0214 -21.0214 3.1727 3.1727 8.1706 8.1706 12.0039 12.0039 12.5240 12.5240 13.0465 13.0465 14.0309 14.0309 17.0454 17.0454 k = 0.1579 0.0912 0.2578 ( 1767 PWs) bands (ev): -45.0973 -45.0973 -21.7342 -21.7342 -21.1146 -21.1146 -21.0189 -21.0189 3.0873 3.0873 8.2564 8.2564 12.0273 12.0273 12.4880 12.4880 13.0663 13.0663 13.9887 13.9887 16.9468 16.9468 k = 0.1530 0.0883 0.2498 ( 1767 PWs) bands (ev): -45.0989 -45.0989 -21.7294 -21.7294 -21.1086 -21.1086 -21.0165 -21.0165 3.0034 3.0034 8.3447 8.3447 12.0476 12.0476 12.4528 12.4528 13.0871 13.0871 13.9489 13.9489 16.8422 16.8422 k = 0.1480 0.0855 0.2417 ( 1771 PWs) bands (ev): -45.1004 -45.1004 -21.7246 -21.7246 -21.1025 -21.1025 -21.0141 -21.0141 2.9211 2.9211 8.4356 8.4356 12.0647 12.0647 12.4183 12.4183 13.1086 13.1086 13.9116 13.9116 16.7317 16.7317 k = 0.1431 0.0826 0.2337 ( 1773 PWs) bands (ev): -45.1019 -45.1019 -21.7198 -21.7198 -21.0964 -21.0964 -21.0118 -21.0118 2.8404 2.8404 8.5290 8.5290 12.0787 12.0787 12.3847 12.3847 13.1308 13.1308 13.8768 13.8768 16.6159 16.6159 k = 0.1382 0.0798 0.2256 ( 1769 PWs) bands (ev): -45.1034 -45.1034 -21.7151 -21.7151 -21.0903 -21.0903 -21.0096 -21.0096 2.7615 2.7615 8.6248 8.6248 12.0895 12.0895 12.3519 12.3519 13.1537 13.1537 13.8448 13.8448 16.4952 16.4952 k = 0.1332 0.0769 0.2176 ( 1769 PWs) bands (ev): -45.1049 -45.1049 -21.7105 -21.7105 -21.0842 -21.0842 -21.0074 -21.0074 2.6845 2.6845 8.7232 8.7232 12.0971 12.0971 12.3199 12.3199 13.1771 13.1771 13.8155 13.8155 16.3699 16.3699 k = 0.1283 0.0741 0.2095 ( 1769 PWs) bands (ev): -45.1063 -45.1063 -21.7060 -21.7060 -21.0781 -21.0781 -21.0053 -21.0053 2.6095 2.6095 8.8240 8.8240 12.1017 12.1017 12.2889 12.2889 13.2009 13.2009 13.7890 13.7890 16.2405 16.2405 k = 0.1234 0.0712 0.2014 ( 1769 PWs) bands (ev): -45.1078 -45.1078 -21.7015 -21.7015 -21.0721 -21.0721 -21.0033 -21.0033 2.5366 2.5366 8.9273 8.9273 12.1033 12.1033 12.2588 12.2588 13.2250 13.2250 13.7653 13.7653 16.1073 16.1073 k = 0.1184 0.0684 0.1934 ( 1769 PWs) bands (ev): -45.1092 -45.1092 -21.6971 -21.6971 -21.0661 -21.0661 -21.0014 -21.0014 2.4658 2.4658 9.0330 9.0330 12.1021 12.1021 12.2297 12.2297 13.2494 13.2494 13.7442 13.7442 15.9706 15.9706 k = 0.1135 0.0655 0.1853 ( 1765 PWs) bands (ev): -45.1105 -45.1105 -21.6928 -21.6928 -21.0601 -21.0601 -20.9995 -20.9995 2.3972 2.3972 9.1410 9.1410 12.0982 12.0982 12.2017 12.2017 13.2739 13.2739 13.7256 13.7256 15.8308 15.8308 k = 0.1086 0.0627 0.1773 ( 1765 PWs) bands (ev): -45.1119 -45.1119 -21.6887 -21.6887 -21.0542 -21.0542 -20.9978 -20.9978 2.3309 2.3309 9.2514 9.2514 12.0920 12.0920 12.1747 12.1747 13.2985 13.2985 13.7095 13.7095 15.6882 15.6882 k = 0.1036 0.0598 0.1692 ( 1771 PWs) bands (ev): -45.1132 -45.1132 -21.6847 -21.6847 -21.0485 -21.0485 -20.9960 -20.9960 2.2671 2.2671 9.3640 9.3640 12.0836 12.0836 12.1488 12.1488 13.3230 13.3230 13.6957 13.6957 15.5432 15.5432 k = 0.0987 0.0570 0.1612 ( 1771 PWs) bands (ev): -45.1145 -45.1145 -21.6808 -21.6808 -21.0428 -21.0428 -20.9944 -20.9944 2.2057 2.2057 9.4789 9.4789 12.0732 12.0732 12.1241 12.1241 13.3472 13.3472 13.6839 13.6839 15.3959 15.3959 k = 0.0938 0.0541 0.1531 ( 1781 PWs) bands (ev): -45.1157 -45.1157 -21.6771 -21.6771 -21.0373 -21.0373 -20.9929 -20.9929 2.1468 2.1468 9.5960 9.5960 12.0611 12.0611 12.1007 12.1007 13.3712 13.3712 13.6740 13.6740 15.2468 15.2468 k = 0.0888 0.0513 0.1450 ( 1781 PWs) bands (ev): -45.1169 -45.1169 -21.6735 -21.6735 -21.0319 -21.0319 -20.9914 -20.9914 2.0906 2.0906 9.7153 9.7153 12.0476 12.0476 12.0786 12.0786 13.3948 13.3948 13.6658 13.6658 15.0960 15.0960 k = 0.0839 0.0484 0.1370 ( 1779 PWs) bands (ev): -45.1180 -45.1180 -21.6701 -21.6701 -21.0267 -21.0267 -20.9900 -20.9900 2.0370 2.0370 9.8366 9.8366 12.0328 12.0328 12.0580 12.0580 13.4179 13.4179 13.6591 13.6591 14.9439 14.9439 k = 0.0789 0.0456 0.1289 ( 1783 PWs) bands (ev): -45.1191 -45.1191 -21.6668 -21.6668 -21.0217 -21.0217 -20.9887 -20.9887 1.9862 1.9862 9.9599 9.9599 12.0170 12.0170 12.0387 12.0387 13.4403 13.4403 13.6537 13.6537 14.7907 14.7907 k = 0.0740 0.0427 0.1209 ( 1783 PWs) bands (ev): -45.1201 -45.1201 -21.6637 -21.6637 -21.0169 -21.0169 -20.9875 -20.9875 1.9381 1.9381 10.0852 10.0852 12.0008 12.0008 12.0207 12.0207 13.4620 13.4620 13.6495 13.6495 14.6365 14.6365 k = 0.0691 0.0399 0.1128 ( 1783 PWs) bands (ev): -45.1211 -45.1211 -21.6608 -21.6608 -21.0122 -21.0122 -20.9863 -20.9863 1.8929 1.8929 10.2123 10.2123 11.9845 11.9845 12.0038 12.0038 13.4829 13.4829 13.6461 13.6461 14.4818 14.4818 k = 0.0641 0.0370 0.1047 ( 1783 PWs) bands (ev): -45.1220 -45.1220 -21.6581 -21.6581 -21.0079 -21.0079 -20.9852 -20.9852 1.8506 1.8506 10.3412 10.3412 11.9686 11.9686 11.9877 11.9877 13.5029 13.5029 13.6436 13.6436 14.3266 14.3266 k = 0.0592 0.0342 0.0967 ( 1787 PWs) bands (ev): -45.1229 -45.1229 -21.6556 -21.6556 -21.0037 -21.0037 -20.9842 -20.9842 1.8112 1.8112 10.4716 10.4716 11.9534 11.9534 11.9724 11.9724 13.5218 13.5218 13.6418 13.6418 14.1714 14.1714 k = 0.0543 0.0313 0.0886 ( 1787 PWs) bands (ev): -45.1237 -45.1237 -21.6532 -21.6532 -20.9999 -20.9999 -20.9833 -20.9833 1.7748 1.7748 10.6035 10.6035 11.9392 11.9392 11.9580 11.9580 13.5396 13.5396 13.6404 13.6404 14.0163 14.0163 k = 0.0493 0.0285 0.0806 ( 1785 PWs) bands (ev): -45.1244 -45.1244 -21.6511 -21.6511 -20.9963 -20.9963 -20.9825 -20.9825 1.7415 1.7415 10.7367 10.7367 11.9259 11.9259 11.9444 11.9444 13.5561 13.5561 13.6393 13.6393 13.8619 13.8619 k = 0.0444 0.0256 0.0725 ( 1797 PWs) bands (ev): -45.1251 -45.1251 -21.6491 -21.6491 -20.9930 -20.9930 -20.9817 -20.9817 1.7112 1.7112 10.8708 10.8708 11.9137 11.9137 11.9319 11.9319 13.5712 13.5712 13.6377 13.6377 13.7092 13.7092 k = 0.0395 0.0228 0.0645 ( 1801 PWs) bands (ev): -45.1257 -45.1257 -21.6474 -21.6474 -20.9901 -20.9901 -20.9811 -20.9811 1.6840 1.6840 11.0055 11.0055 11.9026 11.9026 11.9204 11.9204 13.5523 13.5523 13.5865 13.5865 13.6404 13.6404 k = 0.0345 0.0199 0.0564 ( 1799 PWs) bands (ev): -45.1262 -45.1262 -21.6458 -21.6458 -20.9874 -20.9874 -20.9805 -20.9805 1.6599 1.6599 11.1404 11.1404 11.8927 11.8927 11.9101 11.9101 13.4032 13.4032 13.5981 13.5981 13.6395 13.6395 k = 0.0296 0.0171 0.0483 ( 1803 PWs) bands (ev): -45.1267 -45.1267 -21.6445 -21.6445 -20.9851 -20.9851 -20.9800 -20.9800 1.6390 1.6390 11.2746 11.2746 11.8840 11.8840 11.9011 11.9011 13.2553 13.2553 13.6089 13.6089 13.6393 13.6393 k = 0.0247 0.0142 0.0403 ( 1803 PWs) bands (ev): -45.1271 -45.1271 -21.6434 -21.6434 -20.9831 -20.9831 -20.9795 -20.9795 1.6212 1.6212 11.4068 11.4068 11.8766 11.8766 11.8934 11.8934 13.1112 13.1112 13.6182 13.6182 13.6394 13.6394 k = 0.0197 0.0114 0.0322 ( 1807 PWs) bands (ev): -45.1274 -45.1274 -21.6424 -21.6424 -20.9815 -20.9815 -20.9792 -20.9792 1.6067 1.6067 11.5350 11.5350 11.8704 11.8704 11.8871 11.8871 12.9731 12.9731 13.6259 13.6259 13.6395 13.6395 k = 0.0148 0.0085 0.0242 ( 1807 PWs) bands (ev): -45.1277 -45.1277 -21.6417 -21.6417 -20.9802 -20.9802 -20.9789 -20.9789 1.5953 1.5953 11.6554 11.6554 11.8656 11.8656 11.8823 11.8823 12.8450 12.8450 13.6320 13.6320 13.6396 13.6396 k = 0.0099 0.0057 0.0161 ( 1807 PWs) bands (ev): -45.1279 -45.1279 -21.6412 -21.6412 -20.9793 -20.9793 -20.9787 -20.9787 1.5872 1.5872 11.7603 11.7603 11.8621 11.8621 11.8793 11.8793 12.7341 12.7341 13.6363 13.6363 13.6397 13.6397 k = 0.0049 0.0028 0.0081 ( 1807 PWs) bands (ev): -45.1280 -45.1280 -21.6409 -21.6409 -20.9787 -20.9787 -20.9786 -20.9786 1.5824 1.5824 11.8351 11.8351 11.8601 11.8601 11.8792 11.8792 12.6539 12.6539 13.6389 13.6389 13.6398 13.6398 k = 0.0000 0.0000 0.0000 ( 1807 PWs) bands (ev): -45.1280 -45.1280 -21.6408 -21.6408 -20.9785 -20.9785 -20.9785 -20.9785 1.5808 1.5808 11.8594 11.8594 11.8594 11.8594 11.8835 11.8835 12.6235 12.6235 13.6398 13.6398 13.6398 13.6398 k = 0.0000 0.0000 0.0000 ( 1807 PWs) bands (ev): -45.1280 -45.1280 -21.6408 -21.6408 -20.9785 -20.9785 -20.9785 -20.9785 1.5808 1.5808 11.8594 11.8594 11.8594 11.8594 11.8835 11.8835 12.6235 12.6235 13.6398 13.6398 13.6398 13.6398 k = 0.0081 0.0047 0.0033 ( 1807 PWs) bands (ev): -45.1280 -45.1280 -21.6409 -21.6409 -20.9787 -20.9787 -20.9786 -20.9786 1.5824 1.5824 11.8351 11.8351 11.8600 11.8600 11.8792 11.8792 12.6539 12.6539 13.6393 13.6393 13.6394 13.6394 k = 0.0161 0.0093 0.0066 ( 1807 PWs) bands (ev): -45.1279 -45.1279 -21.6412 -21.6412 -20.9793 -20.9793 -20.9787 -20.9787 1.5873 1.5873 11.7602 11.7602 11.8621 11.8621 11.8792 11.8792 12.7343 12.7343 13.6380 13.6380 13.6380 13.6380 k = 0.0242 0.0140 0.0099 ( 1807 PWs) bands (ev): -45.1277 -45.1277 -21.6417 -21.6417 -20.9803 -20.9803 -20.9788 -20.9788 1.5954 1.5954 11.6553 11.6553 11.8655 11.8655 11.8822 11.8822 12.8453 12.8453 13.6357 13.6357 13.6359 13.6359 k = 0.0323 0.0186 0.0132 ( 1807 PWs) bands (ev): -45.1274 -45.1274 -21.6424 -21.6424 -20.9816 -20.9816 -20.9791 -20.9791 1.6067 1.6067 11.5351 11.5351 11.8702 11.8702 11.8868 11.8868 12.9736 12.9736 13.6326 13.6326 13.6329 13.6329 k = 0.0403 0.0233 0.0165 ( 1807 PWs) bands (ev): -45.1271 -45.1271 -21.6434 -21.6434 -20.9833 -20.9833 -20.9794 -20.9794 1.6213 1.6213 11.4070 11.4070 11.8762 11.8762 11.8929 11.8929 13.1118 13.1118 13.6286 13.6286 13.6291 13.6291 k = 0.0484 0.0279 0.0198 ( 1801 PWs) bands (ev): -45.1267 -45.1267 -21.6445 -21.6445 -20.9853 -20.9853 -20.9797 -20.9797 1.6390 1.6390 11.2749 11.2749 11.8834 11.8834 11.9003 11.9003 13.2561 13.2561 13.6240 13.6240 13.6246 13.6246 k = 0.0565 0.0326 0.0230 ( 1795 PWs) bands (ev): -45.1262 -45.1262 -21.6459 -21.6459 -20.9877 -20.9877 -20.9801 -20.9801 1.6600 1.6600 11.1409 11.1409 11.8919 11.8919 11.9090 11.9090 13.4041 13.4041 13.6187 13.6187 13.6194 13.6194 k = 0.0645 0.0372 0.0263 ( 1798 PWs) bands (ev): -45.1257 -45.1257 -21.6474 -21.6474 -20.9905 -20.9905 -20.9806 -20.9806 1.6841 1.6841 11.0064 11.0064 11.9015 11.9015 11.9189 11.9189 13.5531 13.5531 13.6136 13.6136 13.6144 13.6144 k = 0.0726 0.0419 0.0296 ( 1792 PWs) bands (ev): -45.1251 -45.1251 -21.6492 -21.6492 -20.9936 -20.9936 -20.9812 -20.9812 1.7113 1.7113 10.8720 10.8720 11.9122 11.9122 11.9299 11.9299 13.6037 13.6037 13.6074 13.6074 13.7097 13.7097 k = 0.0806 0.0466 0.0329 ( 1789 PWs) bands (ev): -45.1244 -45.1244 -21.6511 -21.6511 -20.9970 -20.9970 -20.9818 -20.9818 1.7415 1.7415 10.7382 10.7382 11.9240 11.9240 11.9420 11.9420 13.5974 13.5974 13.6007 13.6007 13.8626 13.8626 k = 0.0887 0.0512 0.0362 ( 1789 PWs) bands (ev): -45.1237 -45.1237 -21.6533 -21.6533 -21.0008 -21.0008 -20.9824 -20.9824 1.7749 1.7749 10.6055 10.6055 11.9366 11.9366 11.9551 11.9551 13.5901 13.5901 13.5937 13.5937 14.0168 14.0168 k = 0.0968 0.0559 0.0395 ( 1789 PWs) bands (ev): -45.1229 -45.1229 -21.6556 -21.6556 -21.0048 -21.0048 -20.9831 -20.9831 1.8112 1.8112 10.4741 10.4741 11.9500 11.9500 11.9690 11.9690 13.5825 13.5825 13.5865 13.5865 14.1713 14.1713 k = 0.1048 0.0605 0.0428 ( 1789 PWs) bands (ev): -45.1220 -45.1220 -21.6582 -21.6582 -21.0091 -21.0091 -20.9839 -20.9839 1.8505 1.8505 10.3441 10.3441 11.9642 11.9642 11.9837 11.9837 13.5747 13.5747 13.5793 13.5793 14.3259 14.3259 k = 0.1129 0.0652 0.0461 ( 1789 PWs) bands (ev): -45.1211 -45.1211 -21.6609 -21.6609 -21.0137 -21.0137 -20.9847 -20.9847 1.8926 1.8926 10.2159 10.2159 11.9790 11.9790 11.9990 11.9990 13.5670 13.5670 13.5723 13.5723 14.4800 14.4800 k = 0.1210 0.0698 0.0494 ( 1783 PWs) bands (ev): -45.1201 -45.1201 -21.6639 -21.6639 -21.0185 -21.0185 -20.9856 -20.9856 1.9376 1.9376 10.0893 10.0893 11.9942 11.9942 12.0148 12.0148 13.5594 13.5594 13.5654 13.5654 14.6335 14.6335 k = 0.1290 0.0745 0.0527 ( 1777 PWs) bands (ev): -45.1191 -45.1191 -21.6670 -21.6670 -21.0235 -21.0235 -20.9865 -20.9865 1.9854 1.9854 9.9647 9.9647 12.0097 12.0097 12.0310 12.0310 13.5523 13.5523 13.5591 13.5591 14.7860 14.7860 k = 0.1371 0.0792 0.0560 ( 1778 PWs) bands (ev): -45.1180 -45.1180 -21.6703 -21.6703 -21.0288 -21.0288 -20.9875 -20.9875 2.0359 2.0359 9.8420 9.8420 12.0254 12.0254 12.0473 12.0473 13.5457 13.5457 13.5533 13.5533 14.9372 14.9372 k = 0.1452 0.0838 0.0593 ( 1775 PWs) bands (ev): -45.1169 -45.1169 -21.6738 -21.6738 -21.0342 -21.0342 -20.9885 -20.9885 2.0890 2.0890 9.7214 9.7214 12.0411 12.0411 12.0637 12.0637 13.5399 13.5399 13.5484 13.5484 15.0869 15.0869 k = 0.1532 0.0885 0.0626 ( 1775 PWs) bands (ev): -45.1157 -45.1157 -21.6774 -21.6774 -21.0399 -21.0399 -20.9895 -20.9895 2.1447 2.1447 9.6028 9.6028 12.0566 12.0566 12.0800 12.0800 13.5350 13.5350 13.5444 13.5444 15.2346 15.2346 k = 0.1613 0.0931 0.0658 ( 1775 PWs) bands (ev): -45.1145 -45.1145 -21.6813 -21.6813 -21.0456 -21.0456 -20.9906 -20.9906 2.2029 2.2029 9.4865 9.4865 12.0717 12.0717 12.0959 12.0959 13.5313 13.5313 13.5416 13.5416 15.3802 15.3802 k = 0.1694 0.0978 0.0691 ( 1781 PWs) bands (ev): -45.1133 -45.1133 -21.6852 -21.6852 -21.0516 -21.0516 -20.9917 -20.9917 2.2634 2.2634 9.3723 9.3723 12.0863 12.0863 12.1113 12.1113 13.5290 13.5290 13.5403 13.5403 15.5232 15.5232 k = 0.1774 0.1024 0.0724 ( 1775 PWs) bands (ev): -45.1120 -45.1120 -21.6894 -21.6894 -21.0576 -21.0576 -20.9929 -20.9929 2.3263 2.3263 9.2605 9.2605 12.1002 12.1002 12.1260 12.1260 13.5282 13.5282 13.5405 13.5405 15.6633 15.6633 k = 0.1855 0.1071 0.0757 ( 1781 PWs) bands (ev): -45.1107 -45.1107 -21.6937 -21.6937 -21.0637 -21.0637 -20.9940 -20.9940 2.3913 2.3913 9.1509 9.1509 12.1131 12.1131 12.1397 12.1397 13.5292 13.5292 13.5425 13.5425 15.8002 15.8002 k = 0.1935 0.1117 0.0790 ( 1781 PWs) bands (ev): -45.1093 -45.1093 -21.6981 -21.6981 -21.0699 -21.0699 -20.9952 -20.9952 2.4585 2.4585 9.0437 9.0437 12.1250 12.1250 12.1524 12.1524 13.5322 13.5322 13.5464 13.5464 15.9335 15.9335 k = 0.2016 0.1164 0.0823 ( 1781 PWs) bands (ev): -45.1079 -45.1079 -21.7026 -21.7026 -21.0761 -21.0761 -20.9965 -20.9965 2.5276 2.5276 8.9389 8.9389 12.1356 12.1356 12.1638 12.1638 13.5373 13.5373 13.5525 13.5525 16.0629 16.0629 k = 0.2097 0.1211 0.0856 ( 1781 PWs) bands (ev): -45.1065 -45.1065 -21.7073 -21.7073 -21.0824 -21.0824 -20.9977 -20.9977 2.5986 2.5986 8.8365 8.8365 12.1449 12.1449 12.1738 12.1738 13.5447 13.5447 13.5608 13.5608 16.1879 16.1879 k = 0.2177 0.1257 0.0889 ( 1781 PWs) bands (ev): -45.1051 -45.1051 -21.7121 -21.7121 -21.0887 -21.0887 -20.9990 -20.9990 2.6714 2.6714 8.7366 8.7366 12.1527 12.1527 12.1823 12.1823 13.5545 13.5545 13.5714 13.5714 16.3082 16.3082 k = 0.2258 0.1304 0.0922 ( 1781 PWs) bands (ev): -45.1037 -45.1037 -21.7170 -21.7170 -21.0950 -21.0950 -21.0002 -21.0002 2.7457 2.7457 8.6391 8.6391 12.1589 12.1589 12.1892 12.1892 13.5667 13.5667 13.5845 13.5845 16.4234 16.4234 k = 0.2339 0.1350 0.0955 ( 1781 PWs) bands (ev): -45.1023 -45.1023 -21.7220 -21.7220 -21.1013 -21.1013 -21.0015 -21.0015 2.8216 2.8216 8.5442 8.5442 12.1635 12.1635 12.1943 12.1943 13.5815 13.5815 13.6000 13.6000 16.5331 16.5331 k = 0.2419 0.1397 0.0988 ( 1778 PWs) bands (ev): -45.1008 -45.1008 -21.7270 -21.7270 -21.1075 -21.1075 -21.0028 -21.0028 2.8987 2.8987 8.4518 8.4518 12.1665 12.1665 12.1978 12.1978 13.5987 13.5987 13.6179 13.6179 16.6369 16.6369 k = 0.2500 0.1443 0.1021 ( 1778 PWs) bands (ev): -45.0994 -45.0994 -21.7322 -21.7322 -21.1137 -21.1137 -21.0041 -21.0041 2.9771 2.9771 8.3619 8.3619 12.1679 12.1679 12.1996 12.1996 13.6185 13.6185 13.6382 13.6382 16.7345 16.7345 k = 0.2581 0.1490 0.1054 ( 1778 PWs) bands (ev): -45.0979 -45.0979 -21.7374 -21.7374 -21.1198 -21.1198 -21.0054 -21.0054 3.0565 3.0565 8.2747 8.2747 12.1676 12.1676 12.1996 12.1996 13.6406 13.6406 13.6608 13.6608 16.8254 16.8254 k = 0.2661 0.1536 0.1086 ( 1778 PWs) bands (ev): -45.0964 -45.0964 -21.7426 -21.7426 -21.1258 -21.1258 -21.0067 -21.0067 3.1367 3.1367 8.1900 8.1900 12.1659 12.1659 12.1981 12.1981 13.6650 13.6650 13.6856 13.6856 16.9094 16.9094 k = 0.2742 0.1583 0.1119 ( 1775 PWs) bands (ev): -45.0950 -45.0950 -21.7479 -21.7479 -21.1317 -21.1317 -21.0079 -21.0079 3.2176 3.2176 8.1080 8.1080 12.1627 12.1627 12.1951 12.1951 13.6915 13.6915 13.7124 13.7124 16.9861 16.9861 k = 0.2823 0.1630 0.1152 ( 1775 PWs) bands (ev): -45.0936 -45.0936 -21.7531 -21.7531 -21.1375 -21.1375 -21.0092 -21.0092 3.2990 3.2990 8.0287 8.0287 12.1582 12.1582 12.1908 12.1908 13.7199 13.7199 13.7411 13.7411 17.0553 17.0553 k = 0.2903 0.1676 0.1185 ( 1775 PWs) bands (ev): -45.0921 -45.0921 -21.7584 -21.7584 -21.1432 -21.1432 -21.0105 -21.0105 3.3808 3.3808 7.9519 7.9519 12.1525 12.1525 12.1851 12.1851 13.7501 13.7501 13.7715 13.7715 17.1168 17.1168 k = 0.2984 0.1723 0.1218 ( 1775 PWs) bands (ev): -45.0907 -45.0907 -21.7636 -21.7636 -21.1487 -21.1487 -21.0117 -21.0117 3.4626 3.4626 7.8779 7.8779 12.1458 12.1458 12.1784 12.1784 13.7819 13.7819 13.8034 13.8034 17.1703 17.1703 k = 0.3065 0.1769 0.1251 ( 1769 PWs) bands (ev): -45.0894 -45.0894 -21.7688 -21.7688 -21.1541 -21.1541 -21.0129 -21.0129 3.5443 3.5443 7.8065 7.8065 12.1381 12.1381 12.1707 12.1707 13.8149 13.8149 13.8366 13.8366 17.2157 17.2157 k = 0.3145 0.1816 0.1284 ( 1769 PWs) bands (ev): -45.0880 -45.0880 -21.7740 -21.7740 -21.1593 -21.1593 -21.0141 -21.0141 3.6258 3.6258 7.7379 7.7379 12.1296 12.1296 12.1622 12.1622 13.8491 13.8491 13.8707 13.8707 17.2531 17.2531 k = 0.3226 0.1862 0.1317 ( 1763 PWs) bands (ev): -45.0867 -45.0867 -21.7791 -21.7791 -21.1644 -21.1644 -21.0153 -21.0153 3.7066 3.7066 7.6720 7.6720 12.1205 12.1205 12.1530 12.1530 13.8840 13.8840 13.9057 13.9057 17.2823 17.2823 k = 0.3306 0.1909 0.1350 ( 1760 PWs) bands (ev): -45.0854 -45.0854 -21.7841 -21.7841 -21.1693 -21.1693 -21.0164 -21.0164 3.7867 3.7867 7.6088 7.6088 12.1109 12.1109 12.1432 12.1432 13.9196 13.9196 13.9413 13.9413 17.3036 17.3036 k = 0.3387 0.1956 0.1383 ( 1769 PWs) bands (ev): -45.0841 -45.0841 -21.7890 -21.7890 -21.1739 -21.1739 -21.0175 -21.0175 3.8657 3.8657 7.5483 7.5483 12.1010 12.1010 12.1331 12.1331 13.9555 13.9555 13.9771 13.9771 17.3170 17.3170 k = 0.3468 0.2002 0.1416 ( 1757 PWs) bands (ev): -45.0829 -45.0829 -21.7938 -21.7938 -21.1784 -21.1784 -21.0186 -21.0186 3.9435 3.9435 7.4907 7.4907 12.0907 12.0907 12.1228 12.1228 13.9915 13.9915 14.0131 14.0131 17.3229 17.3229 k = 0.3548 0.2049 0.1449 ( 1763 PWs) bands (ev): -45.0817 -45.0817 -21.7985 -21.7985 -21.1827 -21.1827 -21.0197 -21.0197 4.0197 4.0197 7.4357 7.4357 12.0804 12.0804 12.1122 12.1122 14.0274 14.0274 14.0489 14.0489 17.3216 17.3216 k = 0.3629 0.2095 0.1482 ( 1763 PWs) bands (ev): -45.0806 -45.0806 -21.8030 -21.8030 -21.1868 -21.1868 -21.0206 -21.0206 4.0940 4.0940 7.3836 7.3836 12.0700 12.0700 12.1017 12.1017 14.0630 14.0630 14.0843 14.0843 17.3137 17.3137 k = 0.3710 0.2142 0.1514 ( 1769 PWs) bands (ev): -45.0795 -45.0795 -21.8074 -21.8074 -21.1907 -21.1907 -21.0216 -21.0216 4.1663 4.1663 7.3343 7.3343 12.0597 12.0597 12.0912 12.0912 14.0979 14.0979 14.1192 14.1192 17.2998 17.2998 k = 0.3790 0.2188 0.1547 ( 1769 PWs) bands (ev): -45.0785 -45.0785 -21.8116 -21.8116 -21.1943 -21.1943 -21.0225 -21.0225 4.2362 4.2362 7.2877 7.2877 12.0496 12.0496 12.0810 12.0810 14.1320 14.1320 14.1532 14.1532 17.2805 17.2805 k = 0.3871 0.2235 0.1580 ( 1769 PWs) bands (ev): -45.0775 -45.0775 -21.8155 -21.8155 -21.1977 -21.1977 -21.0234 -21.0234 4.3034 4.3034 7.2440 7.2440 12.0398 12.0398 12.0710 12.0710 14.1651 14.1651 14.1862 14.1862 17.2566 17.2566 k = 0.3952 0.2281 0.1613 ( 1763 PWs) bands (ev): -45.0766 -45.0766 -21.8193 -21.8193 -21.2010 -21.2010 -21.0242 -21.0242 4.3677 4.3677 7.2032 7.2032 12.0303 12.0303 12.0614 12.0614 14.1969 14.1969 14.2179 14.2179 17.2291 17.2291 k = 0.4032 0.2328 0.1646 ( 1763 PWs) bands (ev): -45.0757 -45.0757 -21.8229 -21.8229 -21.2039 -21.2039 -21.0249 -21.0249 4.4288 4.4288 7.1652 7.1652 12.0213 12.0213 12.0521 12.0521 14.2273 14.2273 14.2482 14.2482 17.1988 17.1988 k = 0.4113 0.2375 0.1679 ( 1760 PWs) bands (ev): -45.0749 -45.0749 -21.8262 -21.8262 -21.2067 -21.2067 -21.0256 -21.0256 4.4863 4.4863 7.1301 7.1301 12.0127 12.0127 12.0434 12.0434 14.2561 14.2561 14.2769 14.2769 17.1667 17.1667 k = 0.4194 0.2421 0.1712 ( 1760 PWs) bands (ev): -45.0742 -45.0742 -21.8293 -21.8293 -21.2092 -21.2092 -21.0263 -21.0263 4.5399 4.5399 7.0980 7.0980 12.0047 12.0047 12.0353 12.0353 14.2830 14.2830 14.3037 14.3037 17.1338 17.1338 k = 0.4274 0.2468 0.1745 ( 1769 PWs) bands (ev): -45.0735 -45.0735 -21.8321 -21.8321 -21.2115 -21.2115 -21.0269 -21.0269 4.5895 4.5895 7.0687 7.0687 11.9973 11.9973 12.0278 12.0278 14.3079 14.3079 14.3285 14.3285 17.1009 17.1009 k = 0.4355 0.2514 0.1778 ( 1769 PWs) bands (ev): -45.0729 -45.0729 -21.8346 -21.8346 -21.2135 -21.2135 -21.0274 -21.0274 4.6347 4.6347 7.0424 7.0424 11.9905 11.9905 12.0209 12.0209 14.3307 14.3307 14.3512 14.3512 17.0689 17.0689 k = 0.4435 0.2561 0.1811 ( 1769 PWs) bands (ev): -45.0723 -45.0723 -21.8369 -21.8369 -21.2153 -21.2153 -21.0279 -21.0279 4.6753 4.6753 7.0191 7.0191 11.9845 11.9845 12.0148 12.0148 14.3511 14.3511 14.3716 14.3716 17.0387 17.0387 k = 0.4516 0.2607 0.1844 ( 1763 PWs) bands (ev): -45.0719 -45.0719 -21.8389 -21.8389 -21.2169 -21.2169 -21.0283 -21.0283 4.7110 4.7110 6.9989 6.9989 11.9792 11.9792 12.0094 12.0094 14.3691 14.3691 14.3895 14.3895 17.0110 17.0110 k = 0.4597 0.2654 0.1877 ( 1763 PWs) bands (ev): -45.0715 -45.0715 -21.8406 -21.8406 -21.2182 -21.2182 -21.0287 -21.0287 4.7416 4.7416 6.9817 6.9817 11.9746 11.9746 12.0047 12.0047 14.3845 14.3845 14.4049 14.4049 16.9864 16.9864 k = 0.4677 0.2701 0.1910 ( 1775 PWs) bands (ev): -45.0711 -45.0711 -21.8420 -21.8420 -21.2193 -21.2193 -21.0290 -21.0290 4.7669 4.7669 6.9676 6.9676 11.9708 11.9708 12.0009 12.0009 14.3973 14.3973 14.4176 14.4176 16.9655 16.9655 k = 0.4758 0.2747 0.1942 ( 1772 PWs) bands (ev): -45.0709 -45.0709 -21.8431 -21.8431 -21.2202 -21.2202 -21.0292 -21.0292 4.7868 4.7868 6.9565 6.9565 11.9679 11.9679 11.9979 11.9979 14.4073 14.4073 14.4276 14.4276 16.9488 16.9488 k = 0.4839 0.2794 0.1975 ( 1772 PWs) bands (ev): -45.0707 -45.0707 -21.8439 -21.8439 -21.2208 -21.2208 -21.0293 -21.0293 4.8011 4.8011 6.9487 6.9487 11.9658 11.9658 11.9958 11.9958 14.4145 14.4145 14.4348 14.4348 16.9366 16.9366 k = 0.4919 0.2840 0.2008 ( 1772 PWs) bands (ev): -45.0706 -45.0706 -21.8443 -21.8443 -21.2211 -21.2211 -21.0294 -21.0294 4.8098 4.8098 6.9439 6.9439 11.9645 11.9645 11.9945 11.9945 14.4189 14.4189 14.4391 14.4391 16.9291 16.9291 k = 0.5000 0.2887 0.2041 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2213 -21.2213 -21.0295 -21.0295 4.8126 4.8126 6.9423 6.9423 11.9641 11.9641 11.9940 11.9940 14.4203 14.4203 14.4406 14.4406 16.9267 16.9267 k = 0.5000 0.2887 0.2041 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2213 -21.2213 -21.0295 -21.0295 4.8126 4.8126 6.9423 6.9423 11.9641 11.9641 11.9940 11.9940 14.4203 14.4203 14.4406 14.4406 16.9267 16.9267 k = 0.5028 0.2805 0.2088 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2213 -21.2213 -21.0296 -21.0296 4.8140 4.8140 6.9419 6.9419 11.9633 11.9633 11.9935 11.9935 14.4207 14.4207 14.4409 14.4409 16.9262 16.9262 k = 0.5057 0.2723 0.2134 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2214 -21.2214 -21.0300 -21.0300 4.8181 4.8181 6.9404 6.9404 11.9598 11.9598 11.9932 11.9932 14.4214 14.4214 14.4422 14.4422 16.9247 16.9247 k = 0.5085 0.2641 0.2180 ( 1767 PWs) bands (ev): -45.0704 -45.0704 -21.8444 -21.8444 -21.2216 -21.2216 -21.0306 -21.0306 4.8248 4.8248 6.9380 6.9380 11.9510 11.9510 11.9956 11.9956 14.4218 14.4218 14.4452 14.4452 16.9223 16.9223 k = 0.5114 0.2559 0.2227 ( 1761 PWs) bands (ev): -45.0702 -45.0702 -21.8443 -21.8443 -21.2218 -21.2218 -21.0315 -21.0315 4.8342 4.8342 6.9347 6.9347 11.9359 11.9359 12.0019 12.0019 14.4214 14.4214 14.4506 14.4506 16.9189 16.9189 k = 0.5142 0.2477 0.2273 ( 1759 PWs) bands (ev): -45.0701 -45.0701 -21.8443 -21.8443 -21.2222 -21.2222 -21.0327 -21.0327 4.8463 4.8463 6.9304 6.9304 11.9152 11.9152 12.0115 12.0115 14.4197 14.4197 14.4585 14.4585 16.9146 16.9146 k = 0.5170 0.2395 0.2320 ( 1761 PWs) bands (ev): -45.0699 -45.0699 -21.8442 -21.8442 -21.2226 -21.2226 -21.0341 -21.0341 4.8610 4.8610 6.9253 6.9253 11.8895 11.8895 12.0240 12.0240 14.4170 14.4170 14.4689 14.4689 16.9093 16.9093 k = 0.5199 0.2313 0.2366 ( 1761 PWs) bands (ev): -45.0697 -45.0697 -21.8441 -21.8441 -21.2230 -21.2230 -21.0357 -21.0357 4.8783 4.8783 6.9192 6.9192 11.8592 11.8592 12.0391 12.0391 14.4135 14.4135 14.4817 14.4817 16.9030 16.9030 k = 0.5227 0.2231 0.2412 ( 1761 PWs) bands (ev): -45.0694 -45.0694 -21.8440 -21.8440 -21.2235 -21.2235 -21.0375 -21.0375 4.8981 4.8981 6.9123 6.9123 11.8247 11.8247 12.0567 12.0567 14.4091 14.4091 14.4967 14.4967 16.8958 16.8958 k = 0.5256 0.2149 0.2459 ( 1757 PWs) bands (ev): -45.0691 -45.0691 -21.8439 -21.8439 -21.2241 -21.2241 -21.0396 -21.0396 4.9205 4.9205 6.9046 6.9046 11.7863 11.7863 12.0767 12.0767 14.4041 14.4041 14.5140 14.5140 16.8877 16.8877 k = 0.5284 0.2067 0.2505 ( 1755 PWs) bands (ev): -45.0688 -45.0688 -21.8437 -21.8437 -21.2248 -21.2248 -21.0418 -21.0418 4.9452 4.9452 6.8961 6.8961 11.7443 11.7443 12.0991 12.0991 14.3985 14.3985 14.5335 14.5335 16.8786 16.8786 k = 0.5312 0.1985 0.2552 ( 1760 PWs) bands (ev): -45.0684 -45.0684 -21.8436 -21.8436 -21.2255 -21.2255 -21.0443 -21.0443 4.9724 4.9724 6.8869 6.8869 11.6990 11.6990 12.1238 12.1238 14.3922 14.3922 14.5551 14.5551 16.8686 16.8686 k = 0.5341 0.1903 0.2598 ( 1756 PWs) bands (ev): -45.0681 -45.0681 -21.8435 -21.8435 -21.2263 -21.2263 -21.0469 -21.0469 5.0018 5.0018 6.8770 6.8770 11.6508 11.6508 12.1507 12.1507 14.3854 14.3854 14.5788 14.5788 16.8577 16.8577 k = 0.5369 0.1821 0.2644 ( 1756 PWs) bands (ev): -45.0676 -45.0676 -21.8434 -21.8434 -21.2271 -21.2271 -21.0497 -21.0497 5.0334 5.0334 6.8665 6.8665 11.5998 11.5998 12.1798 12.1798 14.3781 14.3781 14.6045 14.6045 16.8459 16.8459 k = 0.5398 0.1739 0.2691 ( 1758 PWs) bands (ev): -45.0672 -45.0672 -21.8433 -21.8433 -21.2279 -21.2279 -21.0526 -21.0526 5.0672 5.0672 6.8554 6.8554 11.5464 11.5464 12.2110 12.2110 14.3703 14.3703 14.6323 14.6323 16.8332 16.8332 k = 0.5426 0.1657 0.2737 ( 1760 PWs) bands (ev): -45.0668 -45.0668 -21.8433 -21.8433 -21.2288 -21.2288 -21.0557 -21.0557 5.1030 5.1030 6.8438 6.8438 11.4909 11.4909 12.2444 12.2444 14.3621 14.3621 14.6621 14.6621 16.8196 16.8196 k = 0.5455 0.1575 0.2784 ( 1758 PWs) bands (ev): -45.0663 -45.0663 -21.8432 -21.8432 -21.2298 -21.2298 -21.0589 -21.0589 5.1407 5.1407 6.8318 6.8318 11.4336 11.4336 12.2799 12.2799 14.3534 14.3534 14.6937 14.6937 16.8050 16.8050 k = 0.5483 0.1493 0.2830 ( 1758 PWs) bands (ev): -45.0658 -45.0658 -21.8432 -21.8432 -21.2308 -21.2308 -21.0622 -21.0622 5.1803 5.1803 6.8194 6.8194 11.3747 11.3747 12.3173 12.3173 14.3443 14.3443 14.7272 14.7272 16.7895 16.7895 k = 0.5511 0.1411 0.2876 ( 1761 PWs) bands (ev): -45.0653 -45.0653 -21.8432 -21.8432 -21.2318 -21.2318 -21.0656 -21.0656 5.2215 5.2215 6.8067 6.8067 11.3144 11.3144 12.3567 12.3567 14.3348 14.3348 14.7624 14.7624 16.7732 16.7732 k = 0.5540 0.1329 0.2923 ( 1761 PWs) bands (ev): -45.0647 -45.0647 -21.8432 -21.8432 -21.2328 -21.2328 -21.0690 -21.0690 5.2642 5.2642 6.7937 6.7937 11.2531 11.2531 12.3979 12.3979 14.3250 14.3250 14.7992 14.7992 16.7558 16.7558 k = 0.5568 0.1247 0.2969 ( 1765 PWs) bands (ev): -45.0642 -45.0642 -21.8433 -21.8433 -21.2339 -21.2339 -21.0725 -21.0725 5.3083 5.3083 6.7807 6.7807 11.1910 11.1910 12.4410 12.4410 14.3149 14.3149 14.8377 14.8377 16.7376 16.7376 k = 0.5597 0.1165 0.3015 ( 1766 PWs) bands (ev): -45.0636 -45.0636 -21.8434 -21.8434 -21.2350 -21.2350 -21.0760 -21.0760 5.3536 5.3536 6.7676 6.7676 11.1282 11.1282 12.4858 12.4858 14.3045 14.3045 14.8776 14.8776 16.7184 16.7184 k = 0.5625 0.1083 0.3062 ( 1765 PWs) bands (ev): -45.0631 -45.0631 -21.8436 -21.8436 -21.2361 -21.2361 -21.0796 -21.0796 5.3999 5.3999 6.7546 6.7546 11.0649 11.0649 12.5322 12.5322 14.2940 14.2940 14.9189 14.9189 16.6982 16.6982 k = 0.5653 0.1001 0.3108 ( 1765 PWs) bands (ev): -45.0625 -45.0625 -21.8438 -21.8438 -21.2372 -21.2372 -21.0831 -21.0831 5.4471 5.4471 6.7418 6.7418 11.0014 11.0014 12.5802 12.5802 14.2832 14.2832 14.9614 14.9614 16.6770 16.6770 k = 0.5682 0.0919 0.3155 ( 1764 PWs) bands (ev): -45.0619 -45.0619 -21.8440 -21.8440 -21.2384 -21.2384 -21.0866 -21.0866 5.4949 5.4949 6.7294 6.7294 10.9377 10.9377 12.6297 12.6297 14.2723 14.2723 15.0052 15.0052 16.6547 16.6547 k = 0.5710 0.0837 0.3201 ( 1760 PWs) bands (ev): -45.0614 -45.0614 -21.8444 -21.8444 -21.2395 -21.2395 -21.0900 -21.0900 5.5430 5.5430 6.7174 6.7174 10.8741 10.8741 12.6805 12.6805 14.2613 14.2613 15.0501 15.0501 16.6314 16.6314 k = 0.5739 0.0754 0.3247 ( 1764 PWs) bands (ev): -45.0608 -45.0608 -21.8447 -21.8447 -21.2406 -21.2406 -21.0934 -21.0934 5.5913 5.5913 6.7059 6.7059 10.8107 10.8107 12.7326 12.7326 14.2503 14.2503 15.0960 15.0960 16.6069 16.6069 k = 0.5767 0.0672 0.3294 ( 1760 PWs) bands (ev): -45.0602 -45.0602 -21.8451 -21.8451 -21.2417 -21.2417 -21.0967 -21.0967 5.6394 5.6394 6.6953 6.6953 10.7476 10.7476 12.7858 12.7858 14.2393 14.2393 15.1428 15.1428 16.5813 16.5813 k = 0.5795 0.0590 0.3340 ( 1759 PWs) bands (ev): -45.0596 -45.0596 -21.8456 -21.8456 -21.2428 -21.2428 -21.0999 -21.0999 5.6870 5.6870 6.6855 6.6855 10.6849 10.6849 12.8399 12.8399 14.2285 14.2285 15.1904 15.1904 16.5544 16.5544 k = 0.5824 0.0508 0.3387 ( 1759 PWs) bands (ev): -45.0591 -45.0591 -21.8461 -21.8461 -21.2439 -21.2439 -21.1029 -21.1029 5.7338 5.7338 6.6769 6.6769 10.6228 10.6228 12.8949 12.8949 14.2177 14.2177 15.2387 15.2387 16.5263 16.5263 k = 0.5852 0.0426 0.3433 ( 1756 PWs) bands (ev): -45.0585 -45.0585 -21.8466 -21.8466 -21.2450 -21.2450 -21.1059 -21.1059 5.7795 5.7795 6.6695 6.6695 10.5615 10.5615 12.9505 12.9505 14.2072 14.2072 15.2877 15.2877 16.4969 16.4969 k = 0.5881 0.0344 0.3479 ( 1756 PWs) bands (ev): -45.0580 -45.0580 -21.8472 -21.8472 -21.2461 -21.2461 -21.1087 -21.1087 5.8236 5.8236 6.6637 6.6637 10.5009 10.5009 13.0066 13.0066 14.1971 14.1971 15.3371 15.3371 16.4662 16.4662 k = 0.5909 0.0262 0.3526 ( 1754 PWs) bands (ev): -45.0575 -45.0575 -21.8479 -21.8479 -21.2471 -21.2471 -21.1114 -21.1114 5.8658 5.8658 6.6595 6.6595 10.4414 10.4414 13.0630 13.0630 14.1874 14.1874 15.3868 15.3868 16.4343 16.4343 k = 0.5938 0.0180 0.3572 ( 1756 PWs) bands (ev): -45.0570 -45.0570 -21.8486 -21.8486 -21.2481 -21.2481 -21.1139 -21.1139 5.9057 5.9057 6.6572 6.6572 10.3830 10.3830 13.1194 13.1194 14.1782 14.1782 15.4366 15.4366 16.4014 16.4014 k = 0.5966 0.0098 0.3619 ( 1759 PWs) bands (ev): -45.0565 -45.0565 -21.8493 -21.8493 -21.2490 -21.2490 -21.1162 -21.1162 5.9429 5.9429 6.6570 6.6570 10.3258 10.3258 13.1755 13.1755 14.1697 14.1697 15.4861 15.4861 16.3676 16.3676 k = 0.5994 0.0016 0.3665 ( 1757 PWs) bands (ev): -45.0560 -45.0560 -21.8500 -21.8500 -21.2500 -21.2500 -21.1184 -21.1184 5.9771 5.9771 6.6588 6.6588 10.2702 10.2702 13.2311 13.2311 14.1622 14.1622 15.5349 15.5349 16.3336 16.3336 k = 0.6023-0.0066 0.3711 ( 1757 PWs) bands (ev): -45.0556 -45.0556 -21.8508 -21.8508 -21.2508 -21.2508 -21.1203 -21.1203 6.0081 6.0081 6.6626 6.6626 10.2162 10.2162 13.2859 13.2859 14.1557 14.1557 15.5822 15.5822 16.3000 16.3000 k = 0.6051-0.0148 0.3758 ( 1757 PWs) bands (ev): -45.0552 -45.0552 -21.8516 -21.8516 -21.2516 -21.2516 -21.1221 -21.1221 6.0356 6.0356 6.6683 6.6683 10.1640 10.1640 13.3393 13.3393 14.1505 14.1505 15.6266 15.6266 16.2683 16.2683 k = 0.6080-0.0230 0.3804 ( 1761 PWs) bands (ev): -45.0548 -45.0548 -21.8523 -21.8523 -21.2524 -21.2524 -21.1236 -21.1236 6.0598 6.0598 6.6757 6.6757 10.1140 10.1140 13.3910 13.3910 14.1470 14.1470 15.6663 15.6663 16.2404 16.2404 k = 0.6108-0.0312 0.3851 ( 1761 PWs) bands (ev): -45.0545 -45.0545 -21.8531 -21.8531 -21.2531 -21.2531 -21.1250 -21.1250 6.0807 6.0807 6.6842 6.6842 10.0664 10.0664 13.4404 13.4404 14.1455 14.1455 15.6982 15.6982 16.2196 16.2196 k = 0.6136-0.0394 0.3897 ( 1757 PWs) bands (ev): -45.0542 -45.0542 -21.8539 -21.8539 -21.2537 -21.2537 -21.1261 -21.1261 6.0986 6.0986 6.6934 6.6934 10.0214 10.0214 13.4869 13.4869 14.1463 14.1463 15.7186 15.7186 16.2100 16.2100 k = 0.6165-0.0476 0.3943 ( 1757 PWs) bands (ev): -45.0539 -45.0539 -21.8546 -21.8546 -21.2542 -21.2542 -21.1271 -21.1271 6.1136 6.1136 6.7024 6.7024 9.9794 9.9794 13.5300 13.5300 14.1500 14.1500 15.7237 15.7237 16.2152 16.2152 k = 0.6193-0.0558 0.3990 ( 1753 PWs) bands (ev): -45.0536 -45.0536 -21.8553 -21.8553 -21.2547 -21.2547 -21.1278 -21.1278 6.1264 6.1264 6.7107 6.7107 9.9408 9.9408 13.5690 13.5690 14.1570 14.1570 15.7120 15.7120 16.2372 16.2372 k = 0.6222-0.0640 0.4036 ( 1752 PWs) bands (ev): -45.0534 -45.0534 -21.8560 -21.8560 -21.2550 -21.2550 -21.1284 -21.1284 6.1371 6.1371 6.7173 6.7173 9.9057 9.9057 13.6033 13.6033 14.1675 14.1675 15.6852 15.6852 16.2748 16.2748 k = 0.6250-0.0722 0.4082 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2553 -21.2553 -21.1287 -21.1287 6.1464 6.1464 6.7216 6.7216 9.8747 9.8747 13.6325 13.6325 14.1819 14.1819 15.6462 15.6462 16.3250 16.3250 k = 0.6250-0.0722 0.4082 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2553 -21.2553 -21.1287 -21.1287 6.1464 6.1464 6.7216 6.7216 9.8747 9.8747 13.6325 13.6325 14.1819 14.1819 15.6462 15.6462 16.3250 16.3250 k = 0.6202-0.0694 0.4161 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2553 -21.2553 -21.1288 -21.1288 6.1471 6.1471 6.7211 6.7211 9.8753 9.8753 13.6305 13.6305 14.1831 14.1831 15.6464 15.6464 16.3261 16.3261 k = 0.6154-0.0666 0.4240 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2552 -21.2552 -21.1290 -21.1290 6.1494 6.1494 6.7195 6.7195 9.8772 9.8772 13.6246 13.6246 14.1868 14.1868 15.6469 15.6469 16.3294 16.3294 k = 0.6106-0.0638 0.4318 ( 1752 PWs) bands (ev): -45.0532 -45.0532 -21.8565 -21.8565 -21.2550 -21.2550 -21.1295 -21.1295 6.1532 6.1532 6.7168 6.7168 9.8804 9.8804 13.6149 13.6149 14.1928 14.1928 15.6479 15.6479 16.3348 16.3348 k = 0.6058-0.0611 0.4397 ( 1752 PWs) bands (ev): -45.0532 -45.0532 -21.8565 -21.8565 -21.2548 -21.2548 -21.1301 -21.1301 6.1585 6.1585 6.7131 6.7131 9.8847 9.8847 13.6016 13.6016 14.2011 14.2011 15.6492 15.6492 16.3420 16.3420 k = 0.6010-0.0583 0.4475 ( 1756 PWs) bands (ev): -45.0532 -45.0532 -21.8564 -21.8564 -21.2545 -21.2545 -21.1308 -21.1308 6.1653 6.1653 6.7083 6.7083 9.8902 9.8902 13.5848 13.5848 14.2117 14.2117 15.6510 15.6510 16.3508 16.3508 k = 0.5962-0.0555 0.4554 ( 1757 PWs) bands (ev): -45.0531 -45.0531 -21.8564 -21.8564 -21.2542 -21.2542 -21.1317 -21.1317 6.1734 6.1734 6.7026 6.7026 9.8968 9.8968 13.5649 13.5649 14.2245 14.2245 15.6534 15.6534 16.3608 16.3608 k = 0.5913-0.0527 0.4632 ( 1759 PWs) bands (ev): -45.0530 -45.0530 -21.8563 -21.8563 -21.2538 -21.2538 -21.1327 -21.1327 6.1829 6.1829 6.6960 6.6960 9.9045 9.9045 13.5422 13.5422 14.2392 14.2392 15.6564 15.6564 16.3717 16.3717 k = 0.5865-0.0500 0.4711 ( 1757 PWs) bands (ev): -45.0530 -45.0530 -21.8562 -21.8562 -21.2533 -21.2533 -21.1339 -21.1339 6.1938 6.1938 6.6884 6.6884 9.9130 9.9130 13.5170 13.5170 14.2558 14.2558 15.6602 15.6602 16.3829 16.3829 k = 0.5817-0.0472 0.4789 ( 1757 PWs) bands (ev): -45.0529 -45.0529 -21.8561 -21.8561 -21.2528 -21.2528 -21.1352 -21.1352 6.2058 6.2058 6.6800 6.6800 9.9224 9.9224 13.4897 13.4897 14.2741 14.2741 15.6648 15.6648 16.3940 16.3940 k = 0.5769-0.0444 0.4868 ( 1763 PWs) bands (ev): -45.0528 -45.0528 -21.8560 -21.8560 -21.2523 -21.2523 -21.1365 -21.1365 6.2190 6.2190 6.6709 6.6709 9.9324 9.9324 13.4607 13.4607 14.2938 14.2938 15.6705 15.6705 16.4044 16.4044 k = 0.5721-0.0416 0.4946 ( 1759 PWs) bands (ev): -45.0527 -45.0527 -21.8559 -21.8559 -21.2517 -21.2517 -21.1380 -21.1380 6.2332 6.2332 6.6610 6.6610 9.9430 9.9430 13.4305 13.4305 14.3147 14.3147 15.6774 15.6774 16.4135 16.4135 k = 0.5673-0.0389 0.5025 ( 1761 PWs) bands (ev): -45.0526 -45.0526 -21.8558 -21.8558 -21.2511 -21.2511 -21.1395 -21.1395 6.2484 6.2484 6.6505 6.6505 9.9541 9.9541 13.3994 13.3994 14.3366 14.3366 15.6857 15.6857 16.4208 16.4208 k = 0.5625-0.0361 0.5103 ( 1755 PWs) bands (ev): -45.0525 -45.0525 -21.8558 -21.8558 -21.2505 -21.2505 -21.1411 -21.1411 6.2645 6.2645 6.6394 6.6394 9.9653 9.9653 13.3680 13.3680 14.3590 14.3590 15.6956 15.6956 16.4255 16.4255 k = 0.5577-0.0333 0.5182 ( 1759 PWs) bands (ev): -45.0524 -45.0524 -21.8557 -21.8557 -21.2499 -21.2499 -21.1426 -21.1426 6.2812 6.2812 6.6278 6.6278 9.9767 9.9767 13.3366 13.3366 14.3818 14.3818 15.7074 15.7074 16.4271 16.4271 k = 0.5529-0.0305 0.5260 ( 1757 PWs) bands (ev): -45.0523 -45.0523 -21.8556 -21.8556 -21.2492 -21.2492 -21.1442 -21.1442 6.2985 6.2985 6.6157 6.6157 9.9879 9.9879 13.3057 13.3057 14.4046 14.4046 15.7213 15.7213 16.4251 16.4251 k = 0.5481-0.0278 0.5339 ( 1759 PWs) bands (ev): -45.0522 -45.0522 -21.8555 -21.8555 -21.2486 -21.2486 -21.1458 -21.1458 6.3163 6.3163 6.6034 6.6034 9.9989 9.9989 13.2757 13.2757 14.4269 14.4269 15.7376 15.7376 16.4188 16.4188 k = 0.5433-0.0250 0.5417 ( 1759 PWs) bands (ev): -45.0522 -45.0522 -21.8554 -21.8554 -21.2480 -21.2480 -21.1473 -21.1473 6.3343 6.3343 6.5908 6.5908 10.0094 10.0094 13.2472 13.2472 14.4485 14.4485 15.7566 15.7566 16.4079 16.4079 k = 0.5385-0.0222 0.5496 ( 1759 PWs) bands (ev): -45.0521 -45.0521 -21.8554 -21.8554 -21.2475 -21.2475 -21.1487 -21.1487 6.3525 6.3525 6.5781 6.5781 10.0193 10.0193 13.2203 13.2203 14.4689 14.4689 15.7786 15.7786 16.3920 16.3920 k = 0.5337-0.0194 0.5574 ( 1765 PWs) bands (ev): -45.0520 -45.0520 -21.8553 -21.8553 -21.2470 -21.2470 -21.1501 -21.1501 6.3705 6.3705 6.5653 6.5653 10.0283 10.0283 13.1957 13.1957 14.4879 14.4879 15.8038 15.8038 16.3708 16.3708 k = 0.5288-0.0167 0.5653 ( 1763 PWs) bands (ev): -45.0519 -45.0519 -21.8553 -21.8553 -21.2465 -21.2465 -21.1513 -21.1513 6.3882 6.3882 6.5526 6.5526 10.0363 10.0363 13.1735 13.1735 14.5049 14.5049 15.8325 15.8325 16.3442 16.3442 k = 0.5240-0.0139 0.5731 ( 1759 PWs) bands (ev): -45.0518 -45.0518 -21.8552 -21.8552 -21.2461 -21.2461 -21.1523 -21.1523 6.4054 6.4054 6.5400 6.5400 10.0433 10.0433 13.1542 13.1542 14.5199 14.5199 15.8649 15.8649 16.3124 16.3124 k = 0.5192-0.0111 0.5810 ( 1759 PWs) bands (ev): -45.0518 -45.0518 -21.8552 -21.8552 -21.2458 -21.2458 -21.1532 -21.1532 6.4219 6.4219 6.5277 6.5277 10.0490 10.0490 13.1380 13.1380 14.5324 14.5324 15.9011 15.9011 16.2755 16.2755 k = 0.5144-0.0083 0.5888 ( 1761 PWs) bands (ev): -45.0517 -45.0517 -21.8552 -21.8552 -21.2455 -21.2455 -21.1540 -21.1540 6.4372 6.4372 6.5158 6.5158 10.0534 10.0534 13.1252 13.1252 14.5423 14.5423 15.9413 15.9413 16.2340 16.2340 k = 0.5096-0.0056 0.5967 ( 1761 PWs) bands (ev): -45.0517 -45.0517 -21.8552 -21.8552 -21.2453 -21.2453 -21.1545 -21.1545 6.4509 6.4509 6.5049 6.5049 10.0565 10.0565 13.1159 13.1159 14.5494 14.5494 15.9855 15.9855 16.1881 16.1881 k = 0.5048-0.0028 0.6045 ( 1768 PWs) bands (ev): -45.0516 -45.0516 -21.8552 -21.8552 -21.2452 -21.2452 -21.1548 -21.1548 6.4617 6.4617 6.4958 6.4958 10.0583 10.0583 13.1102 13.1102 14.5537 14.5537 16.0337 16.0337 16.1385 16.1385 k = 0.5000-0.0000 0.6124 ( 1768 PWs) bands (ev): -45.0516 -45.0516 -21.8552 -21.8552 -21.2452 -21.2452 -21.1549 -21.1549 6.4664 6.4664 6.4917 6.4917 10.0589 10.0589 13.1084 13.1084 14.5552 14.5552 16.0852 16.0852 16.0865 16.0865 k = 0.5000-0.0000 0.6124 ( 1768 PWs) bands (ev): -45.0516 -45.0516 -21.8552 -21.8552 -21.2452 -21.2452 -21.1549 -21.1549 6.4664 6.4664 6.4917 6.4917 10.0589 10.0589 13.1084 13.1084 14.5552 14.5552 16.0852 16.0852 16.0865 16.0865 k = 0.5000 0.0057 0.6044 ( 1768 PWs) bands (ev): -45.0517 -45.0517 -21.8551 -21.8551 -21.2452 -21.2452 -21.1548 -21.1548 6.4656 6.4656 6.4910 6.4910 10.0603 10.0603 13.1087 13.1087 14.5522 14.5522 16.0832 16.0832 16.0882 16.0882 k = 0.5000 0.0113 0.5964 ( 1762 PWs) bands (ev): -45.0517 -45.0517 -21.8550 -21.8550 -21.2452 -21.2452 -21.1544 -21.1544 6.4625 6.4625 6.4895 6.4895 10.0645 10.0645 13.1097 13.1097 14.5435 14.5435 16.0759 16.0759 16.0947 16.0947 k = 0.5000 0.0170 0.5884 ( 1760 PWs) bands (ev): -45.0518 -45.0518 -21.8549 -21.8549 -21.2453 -21.2453 -21.1538 -21.1538 6.4558 6.4558 6.4886 6.4886 10.0715 10.0715 13.1111 13.1111 14.5293 14.5293 16.0638 16.0638 16.1055 16.1055 k = 0.5000 0.0226 0.5804 ( 1760 PWs) bands (ev): -45.0519 -45.0519 -21.8546 -21.8546 -21.2454 -21.2454 -21.1529 -21.1529 6.4445 6.4445 6.4894 6.4894 10.0812 10.0812 13.1130 13.1130 14.5102 14.5102 16.0469 16.0469 16.1199 16.1199 k = 0.5000 0.0283 0.5723 ( 1760 PWs) bands (ev): -45.0521 -45.0521 -21.8544 -21.8544 -21.2455 -21.2455 -21.1518 -21.1518 6.4288 6.4288 6.4918 6.4918 10.0938 10.0938 13.1149 13.1149 14.4870 14.4870 16.0256 16.0256 16.1376 16.1376 k = 0.5000 0.0340 0.5643 ( 1762 PWs) bands (ev): -45.0523 -45.0523 -21.8540 -21.8540 -21.2456 -21.2456 -21.1504 -21.1504 6.4090 6.4090 6.4954 6.4954 10.1091 10.1091 13.1166 13.1166 14.4605 14.4605 16.0001 16.0001 16.1580 16.1580 k = 0.5000 0.0396 0.5563 ( 1762 PWs) bands (ev): -45.0525 -45.0525 -21.8536 -21.8536 -21.2457 -21.2457 -21.1488 -21.1488 6.3856 6.3856 6.5001 6.5001 10.1271 10.1271 13.1178 13.1178 14.4316 14.4316 15.9707 15.9707 16.1806 16.1806 k = 0.5000 0.0453 0.5483 ( 1762 PWs) bands (ev): -45.0528 -45.0528 -21.8532 -21.8532 -21.2458 -21.2458 -21.1470 -21.1470 6.3587 6.3587 6.5057 6.5057 10.1478 10.1478 13.1179 13.1179 14.4013 14.4013 15.9377 15.9377 16.2048 16.2048 k = 0.5000 0.0509 0.5403 ( 1762 PWs) bands (ev): -45.0531 -45.0531 -21.8527 -21.8527 -21.2458 -21.2458 -21.1450 -21.1450 6.3287 6.3287 6.5122 6.5122 10.1711 10.1711 13.1166 13.1166 14.3705 14.3705 15.9014 15.9014 16.2302 16.2302 k = 0.5000 0.0566 0.5323 ( 1762 PWs) bands (ev): -45.0534 -45.0534 -21.8522 -21.8522 -21.2459 -21.2459 -21.1428 -21.1428 6.2957 6.2957 6.5194 6.5194 10.1971 10.1971 13.1134 13.1134 14.3402 14.3402 15.8621 15.8621 16.2564 16.2564 k = 0.5000 0.0623 0.5243 ( 1762 PWs) bands (ev): -45.0537 -45.0537 -21.8516 -21.8516 -21.2459 -21.2459 -21.1405 -21.1405 6.2600 6.2600 6.5273 6.5273 10.2256 10.2256 13.1077 13.1077 14.3111 14.3111 15.8202 15.8202 16.2831 16.2831 k = 0.5000 0.0679 0.5163 ( 1764 PWs) bands (ev): -45.0541 -45.0541 -21.8511 -21.8511 -21.2458 -21.2458 -21.1379 -21.1379 6.2217 6.2217 6.5360 6.5360 10.2567 10.2567 13.0991 13.0991 14.2842 14.2842 15.7761 15.7761 16.3100 16.3100 k = 0.5000 0.0736 0.5083 ( 1768 PWs) bands (ev): -45.0545 -45.0545 -21.8505 -21.8505 -21.2457 -21.2457 -21.1353 -21.1353 6.1812 6.1812 6.5453 6.5453 10.2902 10.2902 13.0871 13.0871 14.2600 14.2600 15.7299 15.7299 16.3368 16.3368 k = 0.5000 0.0792 0.5003 ( 1768 PWs) bands (ev): -45.0549 -45.0549 -21.8499 -21.8499 -21.2455 -21.2455 -21.1324 -21.1324 6.1386 6.1386 6.5552 6.5552 10.3261 10.3261 13.0715 13.0715 14.2392 14.2392 15.6822 15.6822 16.3635 16.3635 k = 0.5000 0.0849 0.4923 ( 1766 PWs) bands (ev): -45.0554 -45.0554 -21.8493 -21.8493 -21.2453 -21.2453 -21.1295 -21.1295 6.0941 6.0941 6.5657 6.5657 10.3644 10.3644 13.0520 13.0520 14.2220 14.2220 15.6330 15.6330 16.3899 16.3899 k = 0.5000 0.0906 0.4843 ( 1766 PWs) bands (ev): -45.0559 -45.0559 -21.8487 -21.8487 -21.2450 -21.2450 -21.1264 -21.1264 6.0481 6.0481 6.5768 6.5768 10.4049 10.4049 13.0286 13.0286 14.2087 14.2087 15.5828 15.5828 16.4160 16.4160 k = 0.5000 0.0962 0.4763 ( 1756 PWs) bands (ev): -45.0564 -45.0564 -21.8481 -21.8481 -21.2446 -21.2446 -21.1232 -21.1232 6.0006 6.0006 6.5883 6.5883 10.4476 10.4476 13.0015 13.0015 14.1992 14.1992 15.5318 15.5318 16.4415 16.4415 k = 0.5000 0.1019 0.4683 ( 1764 PWs) bands (ev): -45.0569 -45.0569 -21.8476 -21.8476 -21.2442 -21.2442 -21.1199 -21.1199 5.9520 5.9520 6.6004 6.6004 10.4924 10.4924 12.9707 12.9707 14.1935 14.1935 15.4802 15.4802 16.4667 16.4667 k = 0.5000 0.1075 0.4603 ( 1764 PWs) bands (ev): -45.0574 -45.0574 -21.8470 -21.8470 -21.2437 -21.2437 -21.1166 -21.1166 5.9024 5.9024 6.6129 6.6129 10.5392 10.5392 12.9367 12.9367 14.1912 14.1912 15.4283 15.4283 16.4913 16.4913 k = 0.5000 0.1132 0.4523 ( 1764 PWs) bands (ev): -45.0580 -45.0580 -21.8465 -21.8465 -21.2431 -21.2431 -21.1131 -21.1131 5.8521 5.8521 6.6257 6.6257 10.5878 10.5878 12.8999 12.8999 14.1921 14.1921 15.3764 15.3764 16.5154 16.5154 k = 0.5000 0.1189 0.4443 ( 1764 PWs) bands (ev): -45.0585 -45.0585 -21.8460 -21.8460 -21.2424 -21.2424 -21.1096 -21.1096 5.8013 5.8013 6.6390 6.6390 10.6383 10.6383 12.8606 12.8606 14.1957 14.1957 15.3245 15.3245 16.5390 16.5390 k = 0.5000 0.1245 0.4363 ( 1766 PWs) bands (ev): -45.0591 -45.0591 -21.8455 -21.8455 -21.2417 -21.2417 -21.1060 -21.1060 5.7502 5.7502 6.6525 6.6525 10.6903 10.6903 12.8195 12.8195 14.2016 14.2016 15.2729 15.2729 16.5620 16.5620 k = 0.5000 0.1302 0.4283 ( 1766 PWs) bands (ev): -45.0596 -45.0596 -21.8451 -21.8451 -21.2410 -21.2410 -21.1023 -21.1023 5.6989 5.6989 6.6662 6.6662 10.7439 10.7439 12.7768 12.7768 14.2095 14.2095 15.2217 15.2217 16.5845 16.5845 k = 0.5000 0.1358 0.4203 ( 1762 PWs) bands (ev): -45.0602 -45.0602 -21.8447 -21.8447 -21.2401 -21.2401 -21.0987 -21.0987 5.6478 5.6478 6.6802 6.6802 10.7989 10.7989 12.7332 12.7332 14.2188 14.2188 15.1713 15.1713 16.6065 16.6065 k = 0.5000 0.1415 0.4123 ( 1762 PWs) bands (ev): -45.0608 -45.0608 -21.8444 -21.8444 -21.2393 -21.2393 -21.0950 -21.0950 5.5969 5.5969 6.6943 6.6943 10.8551 10.8551 12.6888 12.6888 14.2294 14.2294 15.1216 15.1216 16.6279 16.6279 k = 0.5000 0.1472 0.4042 ( 1762 PWs) bands (ev): -45.0614 -45.0614 -21.8441 -21.8441 -21.2384 -21.2384 -21.0912 -21.0912 5.5465 5.5465 6.7085 6.7085 10.9124 10.9124 12.6442 12.6442 14.2407 14.2407 15.0729 15.0729 16.6487 16.6487 k = 0.5000 0.1528 0.3962 ( 1766 PWs) bands (ev): -45.0620 -45.0620 -21.8439 -21.8439 -21.2374 -21.2374 -21.0875 -21.0875 5.4966 5.4966 6.7228 6.7228 10.9705 10.9705 12.5997 12.5997 14.2527 14.2527 15.0253 15.0253 16.6689 16.6689 k = 0.5000 0.1585 0.3882 ( 1764 PWs) bands (ev): -45.0625 -45.0625 -21.8436 -21.8436 -21.2365 -21.2365 -21.0837 -21.0837 5.4476 5.4476 6.7370 6.7370 11.0293 11.0293 12.5555 12.5555 14.2650 14.2650 14.9789 14.9789 16.6885 16.6885 k = 0.5000 0.1641 0.3802 ( 1764 PWs) bands (ev): -45.0631 -45.0631 -21.8435 -21.8435 -21.2355 -21.2355 -21.0800 -21.0800 5.3995 5.3995 6.7512 6.7512 11.0886 11.0886 12.5118 12.5118 14.2775 14.2775 14.9339 14.9339 16.7075 16.7075 k = 0.5000 0.1698 0.3722 ( 1768 PWs) bands (ev): -45.0637 -45.0637 -21.8433 -21.8433 -21.2345 -21.2345 -21.0763 -21.0763 5.3525 5.3525 6.7653 6.7653 11.1481 11.1481 12.4691 12.4691 14.2899 14.2899 14.8903 14.8903 16.7259 16.7259 k = 0.5000 0.1755 0.3642 ( 1764 PWs) bands (ev): -45.0642 -45.0642 -21.8432 -21.8432 -21.2335 -21.2335 -21.0727 -21.0727 5.3068 5.3068 6.7792 6.7792 11.2077 11.2077 12.4273 12.4273 14.3021 14.3021 14.8483 14.8483 16.7436 16.7436 k = 0.5000 0.1811 0.3562 ( 1764 PWs) bands (ev): -45.0648 -45.0648 -21.8432 -21.8432 -21.2325 -21.2325 -21.0691 -21.0691 5.2624 5.2624 6.7928 6.7928 11.2671 11.2671 12.3868 12.3868 14.3140 14.3140 14.8080 14.8080 16.7606 16.7606 k = 0.5000 0.1868 0.3482 ( 1764 PWs) bands (ev): -45.0653 -45.0653 -21.8432 -21.8432 -21.2316 -21.2316 -21.0656 -21.0656 5.2196 5.2196 6.8062 6.8062 11.3261 11.3261 12.3476 12.3476 14.3256 14.3256 14.7695 14.7695 16.7769 16.7769 k = 0.5000 0.1925 0.3402 ( 1764 PWs) bands (ev): -45.0658 -45.0658 -21.8432 -21.8432 -21.2306 -21.2306 -21.0622 -21.0622 5.1783 5.1783 6.8193 6.8193 11.3843 11.3843 12.3100 12.3100 14.3367 14.3367 14.7328 14.7328 16.7925 16.7925 k = 0.5000 0.1981 0.3322 ( 1760 PWs) bands (ev): -45.0663 -45.0663 -21.8432 -21.8432 -21.2296 -21.2296 -21.0588 -21.0588 5.1389 5.1389 6.8319 6.8319 11.4415 11.4415 12.2740 12.2740 14.3472 14.3472 14.6981 14.6981 16.8073 16.8073 k = 0.5000 0.2038 0.3242 ( 1758 PWs) bands (ev): -45.0668 -45.0668 -21.8433 -21.8433 -21.2287 -21.2287 -21.0556 -21.0556 5.1012 5.1012 6.8441 6.8441 11.4974 11.4974 12.2397 12.2397 14.3572 14.3572 14.6654 14.6654 16.8213 16.8213 k = 0.5000 0.2094 0.3162 ( 1758 PWs) bands (ev): -45.0672 -45.0672 -21.8433 -21.8433 -21.2278 -21.2278 -21.0525 -21.0525 5.0656 5.0656 6.8557 6.8557 11.5517 11.5517 12.2073 12.2073 14.3666 14.3666 14.6348 14.6348 16.8346 16.8346 k = 0.5000 0.2151 0.3082 ( 1754 PWs) bands (ev): -45.0677 -45.0677 -21.8434 -21.8434 -21.2270 -21.2270 -21.0496 -21.0496 5.0320 5.0320 6.8669 6.8669 11.6041 11.6041 12.1768 12.1768 14.3753 14.3753 14.6062 14.6062 16.8470 16.8470 k = 0.5000 0.2208 0.3002 ( 1754 PWs) bands (ev): -45.0681 -45.0681 -21.8435 -21.8435 -21.2262 -21.2262 -21.0468 -21.0468 5.0005 5.0005 6.8774 6.8774 11.6542 11.6542 12.1484 12.1484 14.3834 14.3834 14.5799 14.5799 16.8585 16.8585 k = 0.5000 0.2264 0.2922 ( 1754 PWs) bands (ev): -45.0684 -45.0684 -21.8436 -21.8436 -21.2255 -21.2255 -21.0442 -21.0442 4.9712 4.9712 6.8873 6.8873 11.7018 11.7018 12.1220 12.1220 14.3908 14.3908 14.5557 14.5557 16.8693 16.8693 k = 0.5000 0.2321 0.2842 ( 1758 PWs) bands (ev): -45.0688 -45.0688 -21.8438 -21.8438 -21.2248 -21.2248 -21.0417 -21.0417 4.9443 4.9443 6.8964 6.8964 11.7465 11.7465 12.0977 12.0977 14.3975 14.3975 14.5338 14.5338 16.8791 16.8791 k = 0.5000 0.2377 0.2762 ( 1758 PWs) bands (ev): -45.0691 -45.0691 -21.8439 -21.8439 -21.2241 -21.2241 -21.0395 -21.0395 4.9197 4.9197 6.9049 6.9049 11.7880 11.7880 12.0757 12.0757 14.4035 14.4035 14.5141 14.5141 16.8880 16.8880 k = 0.5000 0.2434 0.2682 ( 1760 PWs) bands (ev): -45.0694 -45.0694 -21.8440 -21.8440 -21.2235 -21.2235 -21.0375 -21.0375 4.8975 4.8975 6.9125 6.9125 11.8260 11.8260 12.0560 12.0560 14.4088 14.4088 14.4967 14.4967 16.8961 16.8961 k = 0.5000 0.2491 0.2602 ( 1758 PWs) bands (ev): -45.0697 -45.0697 -21.8441 -21.8441 -21.2230 -21.2230 -21.0356 -21.0356 4.8778 4.8778 6.9194 6.9194 11.8602 11.8602 12.0386 12.0386 14.4133 14.4133 14.4816 14.4816 16.9032 16.9032 k = 0.5000 0.2547 0.2522 ( 1760 PWs) bands (ev): -45.0699 -45.0699 -21.8442 -21.8442 -21.2226 -21.2226 -21.0340 -21.0340 4.8607 4.8607 6.9254 6.9254 11.8902 11.8902 12.0236 12.0236 14.4170 14.4170 14.4688 14.4688 16.9094 16.9094 k = 0.5000 0.2604 0.2441 ( 1760 PWs) bands (ev): -45.0701 -45.0701 -21.8443 -21.8443 -21.2222 -21.2222 -21.0326 -21.0326 4.8461 4.8461 6.9305 6.9305 11.9157 11.9157 12.0113 12.0113 14.4197 14.4197 14.4584 14.4584 16.9147 16.9147 k = 0.5000 0.2660 0.2361 ( 1762 PWs) bands (ev): -45.0702 -45.0702 -21.8443 -21.8443 -21.2218 -21.2218 -21.0315 -21.0315 4.8341 4.8341 6.9347 6.9347 11.9362 11.9362 12.0018 12.0018 14.4214 14.4214 14.4505 14.4505 16.9190 16.9190 k = 0.5000 0.2717 0.2281 ( 1768 PWs) bands (ev): -45.0704 -45.0704 -21.8444 -21.8444 -21.2216 -21.2216 -21.0306 -21.0306 4.8247 4.8247 6.9381 6.9381 11.9511 11.9511 11.9956 11.9956 14.4218 14.4218 14.4452 14.4452 16.9223 16.9223 k = 0.5000 0.2774 0.2201 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2214 -21.2214 -21.0300 -21.0300 4.8180 4.8180 6.9404 6.9404 11.9598 11.9598 11.9932 11.9932 14.4214 14.4214 14.4422 14.4422 16.9247 16.9247 k = 0.5000 0.2830 0.2121 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2213 -21.2213 -21.0296 -21.0296 4.8140 4.8140 6.9419 6.9419 11.9633 11.9633 11.9935 11.9935 14.4207 14.4207 14.4409 14.4409 16.9262 16.9262 k = 0.5000 0.2887 0.2041 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2213 -21.2213 -21.0295 -21.0295 4.8126 4.8126 6.9423 6.9423 11.9641 11.9641 11.9940 11.9940 14.4203 14.4203 14.4406 14.4406 16.9267 16.9267 k = 0.5000 0.2887 0.2041 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2213 -21.2213 -21.0295 -21.0295 4.8126 4.8126 6.9423 6.9423 11.9641 11.9641 11.9940 11.9940 14.4203 14.4203 14.4406 14.4406 16.9267 16.9267 k = 0.4972 0.2870 0.2134 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2213 -21.2213 -21.0296 -21.0296 4.8140 4.8140 6.9419 6.9419 11.9633 11.9633 11.9935 11.9935 14.4207 14.4207 14.4409 14.4409 16.9262 16.9262 k = 0.4943 0.2854 0.2227 ( 1772 PWs) bands (ev): -45.0705 -45.0705 -21.8445 -21.8445 -21.2214 -21.2214 -21.0300 -21.0300 4.8181 4.8181 6.9404 6.9404 11.9598 11.9598 11.9932 11.9932 14.4214 14.4214 14.4422 14.4422 16.9247 16.9247 k = 0.4915 0.2838 0.2320 ( 1767 PWs) bands (ev): -45.0704 -45.0704 -21.8444 -21.8444 -21.2216 -21.2216 -21.0306 -21.0306 4.8248 4.8248 6.9380 6.9380 11.9510 11.9510 11.9956 11.9956 14.4218 14.4218 14.4452 14.4452 16.9223 16.9223 k = 0.4886 0.2821 0.2412 ( 1761 PWs) bands (ev): -45.0702 -45.0702 -21.8443 -21.8443 -21.2218 -21.2218 -21.0315 -21.0315 4.8342 4.8342 6.9347 6.9347 11.9359 11.9359 12.0019 12.0019 14.4214 14.4214 14.4506 14.4506 16.9189 16.9189 k = 0.4858 0.2805 0.2505 ( 1759 PWs) bands (ev): -45.0701 -45.0701 -21.8443 -21.8443 -21.2222 -21.2222 -21.0327 -21.0327 4.8463 4.8463 6.9304 6.9304 11.9152 11.9152 12.0115 12.0115 14.4197 14.4197 14.4585 14.4585 16.9146 16.9146 k = 0.4830 0.2788 0.2598 ( 1761 PWs) bands (ev): -45.0699 -45.0699 -21.8442 -21.8442 -21.2226 -21.2226 -21.0341 -21.0341 4.8610 4.8610 6.9253 6.9253 11.8895 11.8895 12.0240 12.0240 14.4170 14.4170 14.4689 14.4689 16.9093 16.9093 k = 0.4801 0.2772 0.2691 ( 1761 PWs) bands (ev): -45.0697 -45.0697 -21.8441 -21.8441 -21.2230 -21.2230 -21.0357 -21.0357 4.8783 4.8783 6.9192 6.9192 11.8592 11.8592 12.0391 12.0391 14.4135 14.4135 14.4817 14.4817 16.9030 16.9030 k = 0.4773 0.2756 0.2784 ( 1761 PWs) bands (ev): -45.0694 -45.0694 -21.8440 -21.8440 -21.2235 -21.2235 -21.0375 -21.0375 4.8981 4.8981 6.9123 6.9123 11.8247 11.8247 12.0567 12.0567 14.4091 14.4091 14.4967 14.4967 16.8958 16.8958 k = 0.4744 0.2739 0.2876 ( 1757 PWs) bands (ev): -45.0691 -45.0691 -21.8439 -21.8439 -21.2241 -21.2241 -21.0396 -21.0396 4.9205 4.9205 6.9046 6.9046 11.7863 11.7863 12.0767 12.0767 14.4041 14.4041 14.5140 14.5140 16.8877 16.8877 k = 0.4716 0.2723 0.2969 ( 1755 PWs) bands (ev): -45.0688 -45.0688 -21.8437 -21.8437 -21.2248 -21.2248 -21.0418 -21.0418 4.9452 4.9452 6.8961 6.8961 11.7443 11.7443 12.0991 12.0991 14.3985 14.3985 14.5335 14.5335 16.8786 16.8786 k = 0.4688 0.2706 0.3062 ( 1760 PWs) bands (ev): -45.0684 -45.0684 -21.8436 -21.8436 -21.2255 -21.2255 -21.0443 -21.0443 4.9724 4.9724 6.8869 6.8869 11.6990 11.6990 12.1238 12.1238 14.3922 14.3922 14.5551 14.5551 16.8686 16.8686 k = 0.4659 0.2690 0.3155 ( 1756 PWs) bands (ev): -45.0681 -45.0681 -21.8435 -21.8435 -21.2263 -21.2263 -21.0469 -21.0469 5.0018 5.0018 6.8770 6.8770 11.6508 11.6508 12.1507 12.1507 14.3854 14.3854 14.5788 14.5788 16.8577 16.8577 k = 0.4631 0.2674 0.3247 ( 1756 PWs) bands (ev): -45.0676 -45.0676 -21.8434 -21.8434 -21.2271 -21.2271 -21.0497 -21.0497 5.0334 5.0334 6.8665 6.8665 11.5998 11.5998 12.1798 12.1798 14.3781 14.3781 14.6045 14.6045 16.8459 16.8459 k = 0.4602 0.2657 0.3340 ( 1758 PWs) bands (ev): -45.0672 -45.0672 -21.8433 -21.8433 -21.2279 -21.2279 -21.0526 -21.0526 5.0672 5.0672 6.8554 6.8554 11.5464 11.5464 12.2110 12.2110 14.3703 14.3703 14.6323 14.6323 16.8332 16.8332 k = 0.4574 0.2641 0.3433 ( 1760 PWs) bands (ev): -45.0668 -45.0668 -21.8433 -21.8433 -21.2288 -21.2288 -21.0557 -21.0557 5.1030 5.1030 6.8438 6.8438 11.4909 11.4909 12.2444 12.2444 14.3621 14.3621 14.6621 14.6621 16.8196 16.8196 k = 0.4545 0.2624 0.3526 ( 1758 PWs) bands (ev): -45.0663 -45.0663 -21.8432 -21.8432 -21.2298 -21.2298 -21.0589 -21.0589 5.1407 5.1407 6.8318 6.8318 11.4336 11.4336 12.2799 12.2799 14.3534 14.3534 14.6937 14.6937 16.8050 16.8050 k = 0.4517 0.2608 0.3619 ( 1758 PWs) bands (ev): -45.0658 -45.0658 -21.8432 -21.8432 -21.2308 -21.2308 -21.0622 -21.0622 5.1803 5.1803 6.8194 6.8194 11.3747 11.3747 12.3173 12.3173 14.3443 14.3443 14.7272 14.7272 16.7895 16.7895 k = 0.4489 0.2592 0.3711 ( 1761 PWs) bands (ev): -45.0653 -45.0653 -21.8432 -21.8432 -21.2318 -21.2318 -21.0656 -21.0656 5.2215 5.2215 6.8067 6.8067 11.3144 11.3144 12.3567 12.3567 14.3348 14.3348 14.7624 14.7624 16.7732 16.7732 k = 0.4460 0.2575 0.3804 ( 1761 PWs) bands (ev): -45.0647 -45.0647 -21.8432 -21.8432 -21.2328 -21.2328 -21.0690 -21.0690 5.2642 5.2642 6.7937 6.7937 11.2531 11.2531 12.3979 12.3979 14.3250 14.3250 14.7992 14.7992 16.7558 16.7558 k = 0.4432 0.2559 0.3897 ( 1765 PWs) bands (ev): -45.0642 -45.0642 -21.8433 -21.8433 -21.2339 -21.2339 -21.0725 -21.0725 5.3083 5.3083 6.7807 6.7807 11.1910 11.1910 12.4410 12.4410 14.3149 14.3149 14.8377 14.8377 16.7376 16.7376 k = 0.4403 0.2542 0.3990 ( 1766 PWs) bands (ev): -45.0636 -45.0636 -21.8434 -21.8434 -21.2350 -21.2350 -21.0760 -21.0760 5.3536 5.3536 6.7676 6.7676 11.1282 11.1282 12.4858 12.4858 14.3045 14.3045 14.8776 14.8776 16.7184 16.7184 k = 0.4375 0.2526 0.4082 ( 1765 PWs) bands (ev): -45.0631 -45.0631 -21.8436 -21.8436 -21.2361 -21.2361 -21.0796 -21.0796 5.3999 5.3999 6.7546 6.7546 11.0649 11.0649 12.5322 12.5322 14.2940 14.2940 14.9189 14.9189 16.6982 16.6982 k = 0.4347 0.2510 0.4175 ( 1765 PWs) bands (ev): -45.0625 -45.0625 -21.8438 -21.8438 -21.2372 -21.2372 -21.0831 -21.0831 5.4471 5.4471 6.7418 6.7418 11.0014 11.0014 12.5802 12.5802 14.2832 14.2832 14.9614 14.9614 16.6770 16.6770 k = 0.4318 0.2493 0.4268 ( 1764 PWs) bands (ev): -45.0619 -45.0619 -21.8440 -21.8440 -21.2384 -21.2384 -21.0866 -21.0866 5.4949 5.4949 6.7294 6.7294 10.9377 10.9377 12.6297 12.6297 14.2723 14.2723 15.0052 15.0052 16.6547 16.6547 k = 0.4290 0.2477 0.4361 ( 1760 PWs) bands (ev): -45.0614 -45.0614 -21.8444 -21.8444 -21.2395 -21.2395 -21.0900 -21.0900 5.5430 5.5430 6.7174 6.7174 10.8741 10.8741 12.6805 12.6805 14.2613 14.2613 15.0501 15.0501 16.6314 16.6314 k = 0.4261 0.2460 0.4454 ( 1764 PWs) bands (ev): -45.0608 -45.0608 -21.8447 -21.8447 -21.2406 -21.2406 -21.0934 -21.0934 5.5913 5.5913 6.7059 6.7059 10.8107 10.8107 12.7326 12.7326 14.2503 14.2503 15.0960 15.0960 16.6069 16.6069 k = 0.4233 0.2444 0.4546 ( 1760 PWs) bands (ev): -45.0602 -45.0602 -21.8451 -21.8451 -21.2417 -21.2417 -21.0967 -21.0967 5.6394 5.6394 6.6953 6.6953 10.7476 10.7476 12.7858 12.7858 14.2393 14.2393 15.1428 15.1428 16.5813 16.5813 k = 0.4205 0.2427 0.4639 ( 1759 PWs) bands (ev): -45.0596 -45.0596 -21.8456 -21.8456 -21.2428 -21.2428 -21.0999 -21.0999 5.6870 5.6870 6.6855 6.6855 10.6849 10.6849 12.8399 12.8399 14.2285 14.2285 15.1904 15.1904 16.5544 16.5544 k = 0.4176 0.2411 0.4732 ( 1759 PWs) bands (ev): -45.0591 -45.0591 -21.8461 -21.8461 -21.2439 -21.2439 -21.1029 -21.1029 5.7338 5.7338 6.6769 6.6769 10.6228 10.6228 12.8949 12.8949 14.2177 14.2177 15.2387 15.2387 16.5263 16.5263 k = 0.4148 0.2395 0.4825 ( 1756 PWs) bands (ev): -45.0585 -45.0585 -21.8466 -21.8466 -21.2450 -21.2450 -21.1059 -21.1059 5.7795 5.7795 6.6695 6.6695 10.5615 10.5615 12.9505 12.9505 14.2072 14.2072 15.2877 15.2877 16.4969 16.4969 k = 0.4119 0.2378 0.4918 ( 1756 PWs) bands (ev): -45.0580 -45.0580 -21.8472 -21.8472 -21.2461 -21.2461 -21.1087 -21.1087 5.8236 5.8236 6.6637 6.6637 10.5009 10.5009 13.0066 13.0066 14.1971 14.1971 15.3371 15.3371 16.4662 16.4662 k = 0.4091 0.2362 0.5010 ( 1754 PWs) bands (ev): -45.0575 -45.0575 -21.8479 -21.8479 -21.2471 -21.2471 -21.1114 -21.1114 5.8658 5.8658 6.6595 6.6595 10.4414 10.4414 13.0630 13.0630 14.1874 14.1874 15.3868 15.3868 16.4343 16.4343 k = 0.4062 0.2345 0.5103 ( 1756 PWs) bands (ev): -45.0570 -45.0570 -21.8486 -21.8486 -21.2481 -21.2481 -21.1139 -21.1139 5.9057 5.9057 6.6572 6.6572 10.3830 10.3830 13.1194 13.1194 14.1782 14.1782 15.4366 15.4366 16.4014 16.4014 k = 0.4034 0.2329 0.5196 ( 1759 PWs) bands (ev): -45.0565 -45.0565 -21.8493 -21.8493 -21.2490 -21.2490 -21.1162 -21.1162 5.9429 5.9429 6.6570 6.6570 10.3258 10.3258 13.1755 13.1755 14.1697 14.1697 15.4861 15.4861 16.3676 16.3676 k = 0.4006 0.2313 0.5289 ( 1757 PWs) bands (ev): -45.0560 -45.0560 -21.8500 -21.8500 -21.2500 -21.2500 -21.1184 -21.1184 5.9771 5.9771 6.6588 6.6588 10.2702 10.2702 13.2311 13.2311 14.1622 14.1622 15.5349 15.5349 16.3336 16.3336 k = 0.3977 0.2296 0.5381 ( 1757 PWs) bands (ev): -45.0556 -45.0556 -21.8508 -21.8508 -21.2508 -21.2508 -21.1203 -21.1203 6.0081 6.0081 6.6626 6.6626 10.2162 10.2162 13.2859 13.2859 14.1557 14.1557 15.5822 15.5822 16.3000 16.3000 k = 0.3949 0.2280 0.5474 ( 1757 PWs) bands (ev): -45.0552 -45.0552 -21.8516 -21.8516 -21.2516 -21.2516 -21.1221 -21.1221 6.0356 6.0356 6.6683 6.6683 10.1640 10.1640 13.3393 13.3393 14.1505 14.1505 15.6266 15.6266 16.2683 16.2683 k = 0.3920 0.2263 0.5567 ( 1761 PWs) bands (ev): -45.0548 -45.0548 -21.8523 -21.8523 -21.2524 -21.2524 -21.1236 -21.1236 6.0598 6.0598 6.6757 6.6757 10.1140 10.1140 13.3910 13.3910 14.1470 14.1470 15.6663 15.6663 16.2404 16.2404 k = 0.3892 0.2247 0.5660 ( 1761 PWs) bands (ev): -45.0545 -45.0545 -21.8531 -21.8531 -21.2531 -21.2531 -21.1250 -21.1250 6.0807 6.0807 6.6842 6.6842 10.0664 10.0664 13.4404 13.4404 14.1455 14.1455 15.6982 15.6982 16.2196 16.2196 k = 0.3864 0.2231 0.5753 ( 1757 PWs) bands (ev): -45.0542 -45.0542 -21.8539 -21.8539 -21.2537 -21.2537 -21.1261 -21.1261 6.0986 6.0986 6.6934 6.6934 10.0214 10.0214 13.4869 13.4869 14.1463 14.1463 15.7186 15.7186 16.2100 16.2100 k = 0.3835 0.2214 0.5845 ( 1757 PWs) bands (ev): -45.0539 -45.0539 -21.8546 -21.8546 -21.2542 -21.2542 -21.1271 -21.1271 6.1136 6.1136 6.7024 6.7024 9.9794 9.9794 13.5300 13.5300 14.1500 14.1500 15.7237 15.7237 16.2152 16.2152 k = 0.3807 0.2198 0.5938 ( 1753 PWs) bands (ev): -45.0536 -45.0536 -21.8553 -21.8553 -21.2547 -21.2547 -21.1278 -21.1278 6.1264 6.1264 6.7107 6.7107 9.9408 9.9408 13.5690 13.5690 14.1570 14.1570 15.7120 15.7120 16.2372 16.2372 k = 0.3778 0.2181 0.6031 ( 1752 PWs) bands (ev): -45.0534 -45.0534 -21.8560 -21.8560 -21.2550 -21.2550 -21.1284 -21.1284 6.1371 6.1371 6.7173 6.7173 9.9057 9.9057 13.6033 13.6033 14.1675 14.1675 15.6852 15.6852 16.2748 16.2748 k = 0.3750 0.2165 0.6124 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2553 -21.2553 -21.1287 -21.1287 6.1464 6.1464 6.7216 6.7216 9.8747 9.8747 13.6325 13.6325 14.1819 14.1819 15.6462 15.6462 16.3250 16.3250 k = 0.6250-0.0722 0.4082 ( 1752 PWs) bands (ev): -45.0533 -45.0533 -21.8566 -21.8566 -21.2553 -21.2553 -21.1287 -21.1287 6.1464 6.1464 6.7216 6.7216 9.8747 9.8747 13.6325 13.6325 14.1819 14.1819 15.6462 15.6462 16.3250 16.3250 k = 0.6202-0.0805 0.4082 ( 1752 PWs) bands (ev): -45.0531 -45.0531 -21.8575 -21.8575 -21.2557 -21.2557 -21.1290 -21.1290 6.1597 6.1597 6.7269 6.7269 9.8261 9.8261 13.6778 13.6778 14.2090 14.2090 15.5727 15.5727 16.4215 16.4215 k = 0.6154-0.0888 0.4082 ( 1756 PWs) bands (ev): -45.0529 -45.0529 -21.8585 -21.8585 -21.2561 -21.2561 -21.1291 -21.1291 6.1707 6.1707 6.7330 6.7330 9.7784 9.7784 13.7237 13.7237 14.2352 14.2352 15.5007 15.5007 16.5230 16.5230 k = 0.6106-0.0972 0.4082 ( 1752 PWs) bands (ev): -45.0527 -45.0527 -21.8594 -21.8594 -21.2564 -21.2564 -21.1291 -21.1291 6.1797 6.1797 6.7397 6.7397 9.7315 9.7315 13.7701 13.7701 14.2605 14.2605 15.4305 15.4305 16.6293 16.6293 k = 0.6058-0.1055 0.4082 ( 1748 PWs) bands (ev): -45.0525 -45.0525 -21.8604 -21.8604 -21.2568 -21.2568 -21.1289 -21.1289 6.1868 6.1868 6.7470 6.7470 9.6857 9.6857 13.8168 13.8168 14.2848 14.2848 15.3622 15.3622 16.7403 16.7403 k = 0.6010-0.1138 0.4082 ( 1748 PWs) bands (ev): -45.0524 -45.0524 -21.8613 -21.8613 -21.2572 -21.2572 -21.1286 -21.1286 6.1922 6.1922 6.7548 6.7548 9.6410 9.6410 13.8638 13.8638 14.3081 14.3081 15.2959 15.2959 16.8559 16.8559 k = 0.5962-0.1221 0.4082 ( 1748 PWs) bands (ev): -45.0523 -45.0523 -21.8622 -21.8622 -21.2576 -21.2576 -21.1281 -21.1281 6.1959 6.1959 6.7629 6.7629 9.5976 9.5976 13.9107 13.9107 14.3304 14.3304 15.2317 15.2317 16.9759 16.9759 k = 0.5913-0.1305 0.4082 ( 1748 PWs) bands (ev): -45.0522 -45.0522 -21.8630 -21.8630 -21.2579 -21.2579 -21.1275 -21.1275 6.1983 6.1983 6.7714 6.7714 9.5555 9.5555 13.9575 13.9575 14.3517 14.3517 15.1697 15.1697 17.1001 17.1001 k = 0.5865-0.1388 0.4082 ( 1752 PWs) bands (ev): -45.0521 -45.0521 -21.8639 -21.8639 -21.2583 -21.2583 -21.1267 -21.1267 6.1994 6.1994 6.7801 6.7801 9.5149 9.5149 14.0040 14.0040 14.3720 14.3720 15.1102 15.1102 17.2283 17.2283 k = 0.5817-0.1471 0.4082 ( 1752 PWs) bands (ev): -45.0520 -45.0520 -21.8647 -21.8647 -21.2587 -21.2587 -21.1259 -21.1259 6.1995 6.1995 6.7890 6.7890 9.4758 9.4758 14.0500 14.0500 14.3912 14.3912 15.0531 15.0531 17.3601 17.3601 k = 0.5769-0.1554 0.4082 ( 1748 PWs) bands (ev): -45.0519 -45.0519 -21.8655 -21.8655 -21.2591 -21.2591 -21.1250 -21.1250 6.1987 6.1987 6.7979 6.7979 9.4384 9.4384 14.0952 14.0952 14.4094 14.4094 14.9987 14.9987 17.4954 17.4954 k = 0.5721-0.1638 0.4082 ( 1752 PWs) bands (ev): -45.0519 -45.0519 -21.8663 -21.8663 -21.2596 -21.2596 -21.1240 -21.1240 6.1971 6.1971 6.8068 6.8068 9.4028 9.4028 14.1395 14.1395 14.4266 14.4266 14.9469 14.9469 17.6337 17.6337 k = 0.5673-0.1721 0.4082 ( 1756 PWs) bands (ev): -45.0519 -45.0519 -21.8671 -21.8671 -21.2600 -21.2600 -21.1230 -21.1230 6.1948 6.1948 6.8155 6.8155 9.3690 9.3690 14.1826 14.1826 14.4427 14.4427 14.8980 14.8980 17.7748 17.7748 k = 0.5625-0.1804 0.4082 ( 1756 PWs) bands (ev): -45.0518 -45.0518 -21.8678 -21.8678 -21.2604 -21.2604 -21.1220 -21.1220 6.1921 6.1921 6.8241 6.8241 9.3372 9.3372 14.2243 14.2243 14.4577 14.4577 14.8520 14.8520 17.9184 17.9184 k = 0.5577-0.1887 0.4082 ( 1756 PWs) bands (ev): -45.0518 -45.0518 -21.8685 -21.8685 -21.2608 -21.2608 -21.1209 -21.1209 6.1891 6.1891 6.8324 6.8324 9.3075 9.3075 14.2644 14.2644 14.4716 14.4716 14.8090 14.8090 18.0639 18.0639 k = 0.5529-0.1971 0.4082 ( 1752 PWs) bands (ev): -45.0518 -45.0518 -21.8691 -21.8691 -21.2612 -21.2612 -21.1199 -21.1199 6.1858 6.1858 6.8403 6.8403 9.2798 9.2798 14.3025 14.3025 14.4844 14.4844 14.7691 14.7691 18.2109 18.2109 k = 0.5481-0.2054 0.4082 ( 1752 PWs) bands (ev): -45.0518 -45.0518 -21.8697 -21.8697 -21.2615 -21.2615 -21.1189 -21.1189 6.1824 6.1824 6.8478 6.8478 9.2543 9.2543 14.3384 14.3384 14.4962 14.4962 14.7324 14.7324 18.3590 18.3590 k = 0.5433-0.2137 0.4082 ( 1752 PWs) bands (ev): -45.0518 -45.0518 -21.8702 -21.8702 -21.2619 -21.2619 -21.1179 -21.1179 6.1790 6.1790 6.8548 6.8548 9.2311 9.2311 14.3718 14.3718 14.5068 14.5068 14.6991 14.6991 18.5075 18.5075 k = 0.5385-0.2221 0.4082 ( 1752 PWs) bands (ev): -45.0517 -45.0517 -21.8707 -21.8707 -21.2622 -21.2622 -21.1170 -21.1170 6.1757 6.1757 6.8613 6.8613 9.2101 9.2101 14.4025 14.4025 14.5163 14.5163 14.6692 14.6692 18.6554 18.6554 k = 0.5337-0.2304 0.4082 ( 1752 PWs) bands (ev): -45.0517 -45.0517 -21.8712 -21.8712 -21.2625 -21.2625 -21.1162 -21.1162 6.1726 6.1726 6.8672 6.8672 9.1915 9.1915 14.4301 14.4301 14.5246 14.5246 14.6428 14.6428 18.8014 18.8014 k = 0.5288-0.2387 0.4082 ( 1752 PWs) bands (ev): -45.0517 -45.0517 -21.8716 -21.8716 -21.2628 -21.2628 -21.1154 -21.1154 6.1698 6.1698 6.8723 6.8723 9.1753 9.1753 14.4545 14.4545 14.5316 14.5316 14.6201 14.6201 18.9428 18.9428 k = 0.5240-0.2470 0.4082 ( 1748 PWs) bands (ev): -45.0517 -45.0517 -21.8719 -21.8719 -21.2630 -21.2630 -21.1148 -21.1148 6.1672 6.1672 6.8768 6.8768 9.1615 9.1615 14.4754 14.4754 14.5373 14.5373 14.6013 14.6013 19.0729 19.0729 k = 0.5192-0.2554 0.4082 ( 1756 PWs) bands (ev): -45.0517 -45.0517 -21.8722 -21.8722 -21.2632 -21.2632 -21.1142 -21.1142 6.1651 6.1651 6.8805 6.8805 9.1502 9.1502 14.4925 14.4925 14.5412 14.5412 14.5868 14.5868 19.1745 19.1745 k = 0.5144-0.2637 0.4082 ( 1756 PWs) bands (ev): -45.0517 -45.0517 -21.8724 -21.8724 -21.2634 -21.2634 -21.1138 -21.1138 6.1634 6.1634 6.8834 6.8834 9.1413 9.1413 14.5057 14.5057 14.5429 14.5429 14.5772 14.5772 19.2294 19.2294 k = 0.5096-0.2720 0.4082 ( 1760 PWs) bands (ev): -45.0517 -45.0517 -21.8726 -21.8726 -21.2635 -21.2635 -21.1135 -21.1135 6.1621 6.1621 6.8855 6.8855 9.1350 9.1350 14.5149 14.5149 14.5424 14.5424 14.5723 14.5723 19.2522 19.2522 k = 0.5048-0.2803 0.4082 ( 1756 PWs) bands (ev): -45.0517 -45.0517 -21.8726 -21.8726 -21.2635 -21.2635 -21.1133 -21.1133 6.1614 6.1614 6.8868 6.8868 9.1312 9.1312 14.5202 14.5202 14.5411 14.5411 14.5706 14.5706 19.2615 19.2615 k = 0.5000-0.2887 0.4082 ( 1756 PWs) bands (ev): -45.0517 -45.0517 -21.8727 -21.8727 -21.2636 -21.2636 -21.1132 -21.1132 6.1611 6.1611 6.8872 6.8872 9.1299 9.1299 14.5219 14.5219 14.5405 14.5405 14.5703 14.5703 19.2641 19.2641 Writing output data file TiH2.save init_run : 0.05s CPU 0.17s WALL ( 1 calls) electrons : 44.54s CPU 45.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 44.53s CPU 45.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 473 calls) cegterg : 41.08s CPU 42.01s WALL ( 479 calls) Called by sum_band: Called by *egterg: h_psi : 22.79s CPU 23.63s WALL ( 7515 calls) s_psi : 0.18s CPU 0.19s WALL ( 7515 calls) g_psi : 0.10s CPU 0.08s WALL ( 6563 calls) cdiaghg : 16.53s CPU 16.71s WALL ( 7036 calls) cegterg:over : 1.42s CPU 1.41s WALL ( 6563 calls) cegterg:upda : 0.87s CPU 1.03s WALL ( 6563 calls) cegterg:last : 0.82s CPU 0.75s WALL ( 1898 calls) cdiaghg:chol : 0.94s CPU 0.88s WALL ( 7036 calls) cdiaghg:inve : 0.22s CPU 0.18s WALL ( 7036 calls) cdiaghg:para : 1.10s CPU 1.17s WALL ( 14072 calls) Called by h_psi: h_psi:vloc : 21.38s CPU 22.09s WALL ( 7515 calls) h_psi:vnl : 1.39s CPU 1.51s WALL ( 7515 calls) add_vuspsi : 0.73s CPU 0.81s WALL ( 7515 calls) General routines calbec : 0.64s CPU 0.68s WALL ( 7515 calls) fft : 0.00s CPU 0.00s WALL ( 14 calls) fftw : 20.41s CPU 21.02s WALL ( 501584 calls) davcio : 0.10s CPU 0.12s WALL ( 946 calls) Parallel routines fft_scatter : 9.79s CPU 10.42s WALL ( 501598 calls) PWSCF : 0m51.52s CPU 1m 4.82s WALL This run was terminated on: 19:11:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=