Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56:14 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: ./TaN.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 11 3 381 149 25 Max 22 12 4 385 162 29 Sum 757 421 127 13803 5601 965 bravais-lattice index = 14 lattice parameter (alat) = 5.8607 a.u. unit-cell volume = 142.3451 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.860740 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 Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ta 13.00 180.94790 Ta( 1.00) N 5.00 14.00670 N( 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= 474 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 2) = ( 0.0069444 -0.0040094 0.0056701), wk = 0.0021097 k( 3) = ( 0.0138889 -0.0080188 0.0113402), wk = 0.0021097 k( 4) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0021097 k( 5) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0021097 k( 6) = ( 0.0347222 -0.0200469 0.0283506), wk = 0.0021097 k( 7) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0021097 k( 8) = ( 0.0486111 -0.0280656 0.0396908), wk = 0.0021097 k( 9) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0021097 k( 10) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0021097 k( 11) = ( 0.0694444 -0.0400938 0.0567011), wk = 0.0021097 k( 12) = ( 0.0763889 -0.0441031 0.0623713), wk = 0.0021097 k( 13) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0021097 k( 14) = ( 0.0902778 -0.0521219 0.0737115), wk = 0.0021097 k( 15) = ( 0.0972222 -0.0561313 0.0793816), wk = 0.0021097 k( 16) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0021097 k( 17) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0021097 k( 18) = ( 0.1180556 -0.0681594 0.0963920), wk = 0.0021097 k( 19) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0021097 k( 20) = ( 0.1319444 -0.0761782 0.1077322), wk = 0.0021097 k( 21) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0021097 k( 22) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0021097 k( 23) = ( 0.1527778 -0.0882063 0.1247425), wk = 0.0021097 k( 24) = ( 0.1597222 -0.0922157 0.1304126), wk = 0.0021097 k( 25) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0021097 k( 26) = ( 0.1736111 -0.1002344 0.1417529), wk = 0.0021097 k( 27) = ( 0.1805556 -0.1042438 0.1474230), wk = 0.0021097 k( 28) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0021097 k( 29) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0021097 k( 30) = ( 0.2013889 -0.1162719 0.1644333), wk = 0.0021097 k( 31) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0021097 k( 32) = ( 0.2152778 -0.1242907 0.1757736), wk = 0.0021097 k( 33) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0021097 k( 34) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0021097 k( 35) = ( 0.2361111 -0.1363188 0.1927839), wk = 0.0021097 k( 36) = ( 0.2430556 -0.1403282 0.1984540), wk = 0.0021097 k( 37) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0021097 k( 38) = ( 0.2569444 -0.1483469 0.2097943), wk = 0.0021097 k( 39) = ( 0.2638889 -0.1523563 0.2154644), wk = 0.0021097 k( 40) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0021097 k( 41) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0021097 k( 42) = ( 0.2847222 -0.1643845 0.2324747), wk = 0.0021097 k( 43) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0021097 k( 44) = ( 0.2986111 -0.1724032 0.2438150), wk = 0.0021097 k( 45) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0021097 k( 46) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0021097 k( 47) = ( 0.3194444 -0.1844313 0.2608253), wk = 0.0021097 k( 48) = ( 0.3263889 -0.1884407 0.2664954), wk = 0.0021097 k( 49) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0021097 k( 50) = ( 0.3402778 -0.1964595 0.2778356), wk = 0.0021097 k( 51) = ( 0.3472222 -0.2004688 0.2835058), wk = 0.0021097 k( 52) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0021097 k( 53) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0021097 k( 54) = ( 0.3680556 -0.2124970 0.3005161), wk = 0.0021097 k( 55) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0021097 k( 56) = ( 0.3819444 -0.2205157 0.3118563), wk = 0.0021097 k( 57) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0021097 k( 58) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0021097 k( 59) = ( 0.4027778 -0.2325439 0.3288667), wk = 0.0021097 k( 60) = ( 0.4097222 -0.2365532 0.3345368), wk = 0.0021097 k( 61) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0021097 k( 62) = ( 0.4236111 -0.2445720 0.3458770), wk = 0.0021097 k( 63) = ( 0.4305556 -0.2485814 0.3515471), wk = 0.0021097 k( 64) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0021097 k( 65) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0021097 k( 66) = ( 0.4513889 -0.2606095 0.3685575), wk = 0.0021097 k( 67) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0021097 k( 68) = ( 0.4652778 -0.2686283 0.3798977), wk = 0.0021097 k( 69) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0021097 k( 70) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0021097 k( 71) = ( 0.4861111 -0.2806564 0.3969081), wk = 0.0021097 k( 72) = ( 0.4930556 -0.2846658 0.4025782), wk = 0.0021097 k( 73) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021097 k( 74) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021097 k( 75) = ( 0.5000000 -0.2806564 0.4139184), wk = 0.0021097 k( 76) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0021097 k( 77) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0021097 k( 78) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0021097 k( 79) = ( 0.5000000 -0.2485814 0.4365989), wk = 0.0021097 k( 80) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0021097 k( 81) = ( 0.5000000 -0.2325439 0.4479391), wk = 0.0021097 k( 82) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0021097 k( 83) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0021097 k( 84) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0021097 k( 85) = ( 0.5000000 -0.2004688 0.4706196), wk = 0.0021097 k( 86) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0021097 k( 87) = ( 0.5000000 -0.1844313 0.4819598), wk = 0.0021097 k( 88) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0021097 k( 89) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0021097 k( 90) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0021097 k( 91) = ( 0.5000000 -0.1523563 0.5046403), wk = 0.0021097 k( 92) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0021097 k( 93) = ( 0.5000000 -0.1363188 0.5159805), wk = 0.0021097 k( 94) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0021097 k( 95) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0021097 k( 96) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0021097 k( 97) = ( 0.5000000 -0.1042438 0.5386609), wk = 0.0021097 k( 98) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0021097 k( 99) = ( 0.5000000 -0.0882063 0.5500012), wk = 0.0021097 k( 100) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0021097 k( 101) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0021097 k( 102) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0021097 k( 103) = ( 0.5000000 -0.0561313 0.5726816), wk = 0.0021097 k( 104) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0021097 k( 105) = ( 0.5000000 -0.0400938 0.5840219), wk = 0.0021097 k( 106) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0021097 k( 107) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0021097 k( 108) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0021097 k( 109) = ( 0.5000000 -0.0080187 0.6067023), wk = 0.0021097 k( 110) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021097 k( 111) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021097 k( 112) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0021097 k( 113) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0021097 k( 114) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0021097 k( 115) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0021097 k( 116) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0021097 k( 117) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0021097 k( 118) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0021097 k( 119) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0021097 k( 120) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0021097 k( 121) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0021097 k( 122) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0021097 k( 123) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0021097 k( 124) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0021097 k( 125) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0021097 k( 126) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0021097 k( 127) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0021097 k( 128) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0021097 k( 129) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0021097 k( 130) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0021097 k( 131) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0021097 k( 132) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0021097 k( 133) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0021097 k( 134) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0021097 k( 135) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0021097 k( 136) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0021097 k( 137) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021097 k( 138) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021097 k( 139) = ( 0.3700658 0.2136576 0.6043149), wk = 0.0021097 k( 140) = ( 0.3651316 0.2108088 0.5962574), wk = 0.0021097 k( 141) = ( 0.3601974 0.2079600 0.5881998), wk = 0.0021097 k( 142) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0021097 k( 143) = ( 0.3503289 0.2022625 0.5720848), wk = 0.0021097 k( 144) = ( 0.3453947 0.1994137 0.5640272), wk = 0.0021097 k( 145) = ( 0.3404605 0.1965650 0.5559697), wk = 0.0021097 k( 146) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0021097 k( 147) = ( 0.3305921 0.1908674 0.5398546), wk = 0.0021097 k( 148) = ( 0.3256579 0.1880187 0.5317971), wk = 0.0021097 k( 149) = ( 0.3207237 0.1851699 0.5237396), wk = 0.0021097 k( 150) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0021097 k( 151) = ( 0.3108553 0.1794724 0.5076245), wk = 0.0021097 k( 152) = ( 0.3059211 0.1766236 0.4995670), wk = 0.0021097 k( 153) = ( 0.3009868 0.1737748 0.4915095), wk = 0.0021097 k( 154) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0021097 k( 155) = ( 0.2911184 0.1680773 0.4753944), wk = 0.0021097 k( 156) = ( 0.2861842 0.1652285 0.4673369), wk = 0.0021097 k( 157) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0021097 k( 158) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0021097 k( 159) = ( 0.2713816 0.1566822 0.4431643), wk = 0.0021097 k( 160) = ( 0.2664474 0.1538335 0.4351067), wk = 0.0021097 k( 161) = ( 0.2615132 0.1509847 0.4270492), wk = 0.0021097 k( 162) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0021097 k( 163) = ( 0.2516447 0.1452872 0.4109341), wk = 0.0021097 k( 164) = ( 0.2467105 0.1424384 0.4028766), wk = 0.0021097 k( 165) = ( 0.2417763 0.1395896 0.3948191), wk = 0.0021097 k( 166) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0021097 k( 167) = ( 0.2319079 0.1338921 0.3787040), wk = 0.0021097 k( 168) = ( 0.2269737 0.1310433 0.3706465), wk = 0.0021097 k( 169) = ( 0.2220395 0.1281945 0.3625889), wk = 0.0021097 k( 170) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0021097 k( 171) = ( 0.2121710 0.1224970 0.3464739), wk = 0.0021097 k( 172) = ( 0.2072368 0.1196482 0.3384163), wk = 0.0021097 k( 173) = ( 0.2023026 0.1167995 0.3303588), wk = 0.0021097 k( 174) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0021097 k( 175) = ( 0.1924342 0.1111019 0.3142437), wk = 0.0021097 k( 176) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0021097 k( 177) = ( 0.1825658 0.1054044 0.2981287), wk = 0.0021097 k( 178) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0021097 k( 179) = ( 0.1726974 0.0997069 0.2820136), wk = 0.0021097 k( 180) = ( 0.1677632 0.0968581 0.2739561), wk = 0.0021097 k( 181) = ( 0.1628290 0.0940093 0.2658985), wk = 0.0021097 k( 182) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0021097 k( 183) = ( 0.1529605 0.0883118 0.2497835), wk = 0.0021097 k( 184) = ( 0.1480263 0.0854630 0.2417260), wk = 0.0021097 k( 185) = ( 0.1430921 0.0826143 0.2336684), wk = 0.0021097 k( 186) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0021097 k( 187) = ( 0.1332237 0.0769167 0.2175534), wk = 0.0021097 k( 188) = ( 0.1282895 0.0740680 0.2094958), wk = 0.0021097 k( 189) = ( 0.1233553 0.0712192 0.2014383), wk = 0.0021097 k( 190) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0021097 k( 191) = ( 0.1134868 0.0655217 0.1853232), wk = 0.0021097 k( 192) = ( 0.1085526 0.0626729 0.1772657), wk = 0.0021097 k( 193) = ( 0.1036184 0.0598241 0.1692082), wk = 0.0021097 k( 194) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0021097 k( 195) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0021097 k( 196) = ( 0.0888158 0.0512778 0.1450356), wk = 0.0021097 k( 197) = ( 0.0838816 0.0484291 0.1369780), wk = 0.0021097 k( 198) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0021097 k( 199) = ( 0.0740132 0.0427315 0.1208630), wk = 0.0021097 k( 200) = ( 0.0690790 0.0398828 0.1128054), wk = 0.0021097 k( 201) = ( 0.0641447 0.0370340 0.1047479), wk = 0.0021097 k( 202) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0021097 k( 203) = ( 0.0542763 0.0313364 0.0886328), wk = 0.0021097 k( 204) = ( 0.0493421 0.0284877 0.0805753), wk = 0.0021097 k( 205) = ( 0.0444079 0.0256389 0.0725178), wk = 0.0021097 k( 206) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0021097 k( 207) = ( 0.0345395 0.0199414 0.0564027), wk = 0.0021097 k( 208) = ( 0.0296053 0.0170926 0.0483452), wk = 0.0021097 k( 209) = ( 0.0246710 0.0142438 0.0402877), wk = 0.0021097 k( 210) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0021097 k( 211) = ( 0.0148026 0.0085463 0.0241726), wk = 0.0021097 k( 212) = ( 0.0098684 0.0056975 0.0161151), wk = 0.0021097 k( 213) = ( 0.0049342 0.0028488 0.0080575), wk = 0.0021097 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 216) = ( 0.0079365 0.0045821 0.0032401), wk = 0.0021097 k( 217) = ( 0.0158730 0.0091643 0.0064801), wk = 0.0021097 k( 218) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0021097 k( 219) = ( 0.0317460 0.0183286 0.0129603), wk = 0.0021097 k( 220) = ( 0.0396825 0.0229107 0.0162003), wk = 0.0021097 k( 221) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0021097 k( 222) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0021097 k( 223) = ( 0.0634921 0.0366572 0.0259205), wk = 0.0021097 k( 224) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0021097 k( 225) = ( 0.0793651 0.0458215 0.0324007), wk = 0.0021097 k( 226) = ( 0.0873016 0.0504036 0.0356407), wk = 0.0021097 k( 227) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0021097 k( 228) = ( 0.1031746 0.0595679 0.0421209), wk = 0.0021097 k( 229) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0021097 k( 230) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0021097 k( 231) = ( 0.1269841 0.0733143 0.0518411), wk = 0.0021097 k( 232) = ( 0.1349206 0.0778965 0.0550811), wk = 0.0021097 k( 233) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0021097 k( 234) = ( 0.1507937 0.0870608 0.0615612), wk = 0.0021097 k( 235) = ( 0.1587302 0.0916429 0.0648013), wk = 0.0021097 k( 236) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0021097 k( 237) = ( 0.1746032 0.1008072 0.0712814), wk = 0.0021097 k( 238) = ( 0.1825397 0.1053893 0.0745215), wk = 0.0021097 k( 239) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0021097 k( 240) = ( 0.1984127 0.1145536 0.0810016), wk = 0.0021097 k( 241) = ( 0.2063492 0.1191358 0.0842417), wk = 0.0021097 k( 242) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0021097 k( 243) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0021097 k( 244) = ( 0.2301587 0.1328822 0.0939619), wk = 0.0021097 k( 245) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0021097 k( 246) = ( 0.2460317 0.1420465 0.1004420), wk = 0.0021097 k( 247) = ( 0.2539683 0.1466286 0.1036821), wk = 0.0021097 k( 248) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0021097 k( 249) = ( 0.2698413 0.1557929 0.1101622), wk = 0.0021097 k( 250) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0021097 k( 251) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0021097 k( 252) = ( 0.2936508 0.1695394 0.1198824), wk = 0.0021097 k( 253) = ( 0.3015873 0.1741215 0.1231225), wk = 0.0021097 k( 254) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0021097 k( 255) = ( 0.3174603 0.1832858 0.1296026), wk = 0.0021097 k( 256) = ( 0.3253968 0.1878679 0.1328427), wk = 0.0021097 k( 257) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0021097 k( 258) = ( 0.3412698 0.1970322 0.1393228), wk = 0.0021097 k( 259) = ( 0.3492063 0.2016144 0.1425629), wk = 0.0021097 k( 260) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0021097 k( 261) = ( 0.3650794 0.2107787 0.1490430), wk = 0.0021097 k( 262) = ( 0.3730159 0.2153608 0.1522831), wk = 0.0021097 k( 263) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0021097 k( 264) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0021097 k( 265) = ( 0.3968254 0.2291073 0.1620033), wk = 0.0021097 k( 266) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0021097 k( 267) = ( 0.4126984 0.2382715 0.1684834), wk = 0.0021097 k( 268) = ( 0.4206349 0.2428537 0.1717235), wk = 0.0021097 k( 269) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0021097 k( 270) = ( 0.4365079 0.2520180 0.1782036), wk = 0.0021097 k( 271) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0021097 k( 272) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0021097 k( 273) = ( 0.4603175 0.2657644 0.1879238), wk = 0.0021097 k( 274) = ( 0.4682540 0.2703466 0.1911639), wk = 0.0021097 k( 275) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0021097 k( 276) = ( 0.4841270 0.2795108 0.1976440), wk = 0.0021097 k( 277) = ( 0.4920635 0.2840930 0.2008841), wk = 0.0021097 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021097 k( 279) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021097 k( 280) = ( 0.5028409 0.2804741 0.2087633), wk = 0.0021097 k( 281) = ( 0.5056818 0.2722731 0.2134025), wk = 0.0021097 k( 282) = ( 0.5085227 0.2640721 0.2180417), wk = 0.0021097 k( 283) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0021097 k( 284) = ( 0.5142045 0.2476701 0.2273201), wk = 0.0021097 k( 285) = ( 0.5170455 0.2394691 0.2319593), wk = 0.0021097 k( 286) = ( 0.5198864 0.2312681 0.2365984), wk = 0.0021097 k( 287) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0021097 k( 288) = ( 0.5255682 0.2148662 0.2458768), wk = 0.0021097 k( 289) = ( 0.5284091 0.2066652 0.2505160), wk = 0.0021097 k( 290) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0021097 k( 291) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0021097 k( 292) = ( 0.5369318 0.1820622 0.2644336), wk = 0.0021097 k( 293) = ( 0.5397727 0.1738612 0.2690727), wk = 0.0021097 k( 294) = ( 0.5426136 0.1656602 0.2737119), wk = 0.0021097 k( 295) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0021097 k( 296) = ( 0.5482955 0.1492582 0.2829903), wk = 0.0021097 k( 297) = ( 0.5511364 0.1410572 0.2876295), wk = 0.0021097 k( 298) = ( 0.5539773 0.1328562 0.2922687), wk = 0.0021097 k( 299) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0021097 k( 300) = ( 0.5596591 0.1164542 0.3015470), wk = 0.0021097 k( 301) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0021097 k( 302) = ( 0.5653409 0.1000522 0.3108254), wk = 0.0021097 k( 303) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0021097 k( 304) = ( 0.5710227 0.0836502 0.3201038), wk = 0.0021097 k( 305) = ( 0.5738636 0.0754492 0.3247430), wk = 0.0021097 k( 306) = ( 0.5767045 0.0672482 0.3293821), wk = 0.0021097 k( 307) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0021097 k( 308) = ( 0.5823864 0.0508462 0.3386605), wk = 0.0021097 k( 309) = ( 0.5852273 0.0426452 0.3432997), wk = 0.0021097 k( 310) = ( 0.5880682 0.0344442 0.3479389), wk = 0.0021097 k( 311) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0021097 k( 312) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0021097 k( 313) = ( 0.5965909 0.0098412 0.3618564), wk = 0.0021097 k( 314) = ( 0.5994318 0.0016402 0.3664956), wk = 0.0021097 k( 315) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0021097 k( 316) = ( 0.6051136 -0.0147618 0.3757740), wk = 0.0021097 k( 317) = ( 0.6079545 -0.0229628 0.3804132), wk = 0.0021097 k( 318) = ( 0.6107955 -0.0311638 0.3850524), wk = 0.0021097 k( 319) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0021097 k( 320) = ( 0.6164773 -0.0475658 0.3943307), wk = 0.0021097 k( 321) = ( 0.6193182 -0.0557668 0.3989699), wk = 0.0021097 k( 322) = ( 0.6221591 -0.0639678 0.4036091), wk = 0.0021097 k( 323) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021097 k( 324) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021097 k( 325) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0021097 k( 326) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0021097 k( 327) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0021097 k( 328) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0021097 k( 329) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0021097 k( 330) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0021097 k( 331) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0021097 k( 332) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0021097 k( 333) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0021097 k( 334) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0021097 k( 335) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0021097 k( 336) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0021097 k( 337) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0021097 k( 338) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0021097 k( 339) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0021097 k( 340) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0021097 k( 341) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0021097 k( 342) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0021097 k( 343) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0021097 k( 344) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0021097 k( 345) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0021097 k( 346) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0021097 k( 347) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0021097 k( 348) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0021097 k( 349) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0021097 k( 350) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021097 k( 351) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021097 k( 352) = ( 0.5000000 0.0056603 0.6043676), wk = 0.0021097 k( 353) = ( 0.5000000 0.0113206 0.5963627), wk = 0.0021097 k( 354) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0021097 k( 355) = ( 0.5000000 0.0226412 0.5803530), wk = 0.0021097 k( 356) = ( 0.5000000 0.0283015 0.5723481), wk = 0.0021097 k( 357) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0021097 k( 358) = ( 0.5000000 0.0396221 0.5563383), wk = 0.0021097 k( 359) = ( 0.5000000 0.0452824 0.5483335), wk = 0.0021097 k( 360) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0021097 k( 361) = ( 0.5000000 0.0566030 0.5323237), wk = 0.0021097 k( 362) = ( 0.5000000 0.0622633 0.5243189), wk = 0.0021097 k( 363) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0021097 k( 364) = ( 0.5000000 0.0735839 0.5083091), wk = 0.0021097 k( 365) = ( 0.5000000 0.0792442 0.5003043), wk = 0.0021097 k( 366) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0021097 k( 367) = ( 0.5000000 0.0905647 0.4842945), wk = 0.0021097 k( 368) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0021097 k( 369) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0021097 k( 370) = ( 0.5000000 0.1075456 0.4602799), wk = 0.0021097 k( 371) = ( 0.5000000 0.1132059 0.4522751), wk = 0.0021097 k( 372) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0021097 k( 373) = ( 0.5000000 0.1245265 0.4362653), wk = 0.0021097 k( 374) = ( 0.5000000 0.1301868 0.4282605), wk = 0.0021097 k( 375) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0021097 k( 376) = ( 0.5000000 0.1415074 0.4122507), wk = 0.0021097 k( 377) = ( 0.5000000 0.1471677 0.4042459), wk = 0.0021097 k( 378) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0021097 k( 379) = ( 0.5000000 0.1584883 0.3882361), wk = 0.0021097 k( 380) = ( 0.5000000 0.1641486 0.3802313), wk = 0.0021097 k( 381) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0021097 k( 382) = ( 0.5000000 0.1754692 0.3642215), wk = 0.0021097 k( 383) = ( 0.5000000 0.1811295 0.3562166), wk = 0.0021097 k( 384) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0021097 k( 385) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0021097 k( 386) = ( 0.5000000 0.1981104 0.3322020), wk = 0.0021097 k( 387) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0021097 k( 388) = ( 0.5000000 0.2094310 0.3161923), wk = 0.0021097 k( 389) = ( 0.5000000 0.2150913 0.3081874), wk = 0.0021097 k( 390) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0021097 k( 391) = ( 0.5000000 0.2264119 0.2921777), wk = 0.0021097 k( 392) = ( 0.5000000 0.2320722 0.2841728), wk = 0.0021097 k( 393) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0021097 k( 394) = ( 0.5000000 0.2433928 0.2681631), wk = 0.0021097 k( 395) = ( 0.5000000 0.2490531 0.2601582), wk = 0.0021097 k( 396) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0021097 k( 397) = ( 0.5000000 0.2603737 0.2441485), wk = 0.0021097 k( 398) = ( 0.5000000 0.2660340 0.2361436), wk = 0.0021097 k( 399) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0021097 k( 400) = ( 0.5000000 0.2773545 0.2201339), wk = 0.0021097 k( 401) = ( 0.5000000 0.2830148 0.2121290), wk = 0.0021097 k( 402) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021097 k( 403) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021097 k( 404) = ( 0.4971591 0.2870349 0.2134025), wk = 0.0021097 k( 405) = ( 0.4943182 0.2853947 0.2226809), wk = 0.0021097 k( 406) = ( 0.4914773 0.2837545 0.2319593), wk = 0.0021097 k( 407) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0021097 k( 408) = ( 0.4857955 0.2804741 0.2505160), wk = 0.0021097 k( 409) = ( 0.4829545 0.2788339 0.2597944), wk = 0.0021097 k( 410) = ( 0.4801136 0.2771937 0.2690727), wk = 0.0021097 k( 411) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0021097 k( 412) = ( 0.4744318 0.2739133 0.2876295), wk = 0.0021097 k( 413) = ( 0.4715909 0.2722731 0.2969078), wk = 0.0021097 k( 414) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0021097 k( 415) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0021097 k( 416) = ( 0.4630682 0.2673525 0.3247430), wk = 0.0021097 k( 417) = ( 0.4602273 0.2657123 0.3340213), wk = 0.0021097 k( 418) = ( 0.4573864 0.2640721 0.3432997), wk = 0.0021097 k( 419) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0021097 k( 420) = ( 0.4517045 0.2607917 0.3618564), wk = 0.0021097 k( 421) = ( 0.4488636 0.2591515 0.3711348), wk = 0.0021097 k( 422) = ( 0.4460227 0.2575113 0.3804132), wk = 0.0021097 k( 423) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0021097 k( 424) = ( 0.4403409 0.2542309 0.3989699), wk = 0.0021097 k( 425) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0021097 k( 426) = ( 0.4346591 0.2509505 0.4175267), wk = 0.0021097 k( 427) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0021097 k( 428) = ( 0.4289773 0.2476701 0.4360834), wk = 0.0021097 k( 429) = ( 0.4261364 0.2460299 0.4453618), wk = 0.0021097 k( 430) = ( 0.4232955 0.2443897 0.4546401), wk = 0.0021097 k( 431) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0021097 k( 432) = ( 0.4176136 0.2411093 0.4731969), wk = 0.0021097 k( 433) = ( 0.4147727 0.2394691 0.4824753), wk = 0.0021097 k( 434) = ( 0.4119318 0.2378289 0.4917536), wk = 0.0021097 k( 435) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0021097 k( 436) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0021097 k( 437) = ( 0.4034091 0.2329083 0.5195887), wk = 0.0021097 k( 438) = ( 0.4005682 0.2312681 0.5288671), wk = 0.0021097 k( 439) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0021097 k( 440) = ( 0.3948864 0.2279877 0.5474238), wk = 0.0021097 k( 441) = ( 0.3920455 0.2263475 0.5567022), wk = 0.0021097 k( 442) = ( 0.3892045 0.2247074 0.5659806), wk = 0.0021097 k( 443) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0021097 k( 444) = ( 0.3835227 0.2214270 0.5845373), wk = 0.0021097 k( 445) = ( 0.3806818 0.2197868 0.5938157), wk = 0.0021097 k( 446) = ( 0.3778409 0.2181466 0.6030941), wk = 0.0021097 k( 447) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021097 k( 448) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021097 k( 449) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0021097 k( 450) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0021097 k( 451) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0021097 k( 452) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0021097 k( 453) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0021097 k( 454) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0021097 k( 455) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0021097 k( 456) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0021097 k( 457) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0021097 k( 458) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0021097 k( 459) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0021097 k( 460) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0021097 k( 461) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0021097 k( 462) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0021097 k( 463) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0021097 k( 464) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0021097 k( 465) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0021097 k( 466) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0021097 k( 467) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0021097 k( 468) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0021097 k( 469) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0021097 k( 470) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0021097 k( 471) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0021097 k( 472) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0021097 k( 473) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0021097 k( 474) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021097 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 2) = ( 0.0069444 -0.0000000 0.0069444), wk = 0.0021097 k( 3) = ( 0.0138889 -0.0000000 0.0138889), wk = 0.0021097 k( 4) = ( 0.0208333 -0.0000000 0.0208333), wk = 0.0021097 k( 5) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0021097 k( 6) = ( 0.0347222 -0.0000000 0.0347222), wk = 0.0021097 k( 7) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0021097 k( 8) = ( 0.0486111 -0.0000000 0.0486111), wk = 0.0021097 k( 9) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0021097 k( 10) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0021097 k( 11) = ( 0.0694444 -0.0000000 0.0694444), wk = 0.0021097 k( 12) = ( 0.0763889 0.0000000 0.0763889), wk = 0.0021097 k( 13) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0021097 k( 14) = ( 0.0902778 0.0000000 0.0902778), wk = 0.0021097 k( 15) = ( 0.0972222 -0.0000000 0.0972222), wk = 0.0021097 k( 16) = ( 0.1041667 0.0000000 0.1041667), wk = 0.0021097 k( 17) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0021097 k( 18) = ( 0.1180556 -0.0000000 0.1180556), wk = 0.0021097 k( 19) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0021097 k( 20) = ( 0.1319444 0.0000000 0.1319444), wk = 0.0021097 k( 21) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0021097 k( 22) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0021097 k( 23) = ( 0.1527778 0.0000000 0.1527778), wk = 0.0021097 k( 24) = ( 0.1597222 0.0000000 0.1597222), wk = 0.0021097 k( 25) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0021097 k( 26) = ( 0.1736111 0.0000000 0.1736111), wk = 0.0021097 k( 27) = ( 0.1805556 0.0000000 0.1805556), wk = 0.0021097 k( 28) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0021097 k( 29) = ( 0.1944444 -0.0000000 0.1944444), wk = 0.0021097 k( 30) = ( 0.2013889 -0.0000000 0.2013889), wk = 0.0021097 k( 31) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0021097 k( 32) = ( 0.2152778 -0.0000000 0.2152778), wk = 0.0021097 k( 33) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0021097 k( 34) = ( 0.2291667 -0.0000000 0.2291667), wk = 0.0021097 k( 35) = ( 0.2361111 0.0000000 0.2361111), wk = 0.0021097 k( 36) = ( 0.2430556 -0.0000000 0.2430556), wk = 0.0021097 k( 37) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0021097 k( 38) = ( 0.2569444 0.0000000 0.2569444), wk = 0.0021097 k( 39) = ( 0.2638889 -0.0000000 0.2638889), wk = 0.0021097 k( 40) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0021097 k( 41) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0021097 k( 42) = ( 0.2847222 -0.0000000 0.2847222), wk = 0.0021097 k( 43) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0021097 k( 44) = ( 0.2986111 -0.0000000 0.2986111), wk = 0.0021097 k( 45) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0021097 k( 46) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0021097 k( 47) = ( 0.3194444 0.0000000 0.3194444), wk = 0.0021097 k( 48) = ( 0.3263889 0.0000000 0.3263889), wk = 0.0021097 k( 49) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0021097 k( 50) = ( 0.3402778 -0.0000000 0.3402778), wk = 0.0021097 k( 51) = ( 0.3472222 0.0000000 0.3472222), wk = 0.0021097 k( 52) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0021097 k( 53) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0021097 k( 54) = ( 0.3680556 0.0000000 0.3680556), wk = 0.0021097 k( 55) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0021097 k( 56) = ( 0.3819444 -0.0000000 0.3819444), wk = 0.0021097 k( 57) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0021097 k( 58) = ( 0.3958333 0.0000000 0.3958333), wk = 0.0021097 k( 59) = ( 0.4027778 -0.0000000 0.4027778), wk = 0.0021097 k( 60) = ( 0.4097222 0.0000000 0.4097222), wk = 0.0021097 k( 61) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0021097 k( 62) = ( 0.4236111 -0.0000000 0.4236111), wk = 0.0021097 k( 63) = ( 0.4305556 -0.0000000 0.4305556), wk = 0.0021097 k( 64) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0021097 k( 65) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0021097 k( 66) = ( 0.4513889 -0.0000000 0.4513889), wk = 0.0021097 k( 67) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0021097 k( 68) = ( 0.4652778 0.0000000 0.4652778), wk = 0.0021097 k( 69) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0021097 k( 70) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0021097 k( 71) = ( 0.4861111 -0.0000000 0.4861111), wk = 0.0021097 k( 72) = ( 0.4930556 0.0000000 0.4930556), wk = 0.0021097 k( 73) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021097 k( 74) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021097 k( 75) = ( 0.5000000 0.0069444 0.5069444), wk = 0.0021097 k( 76) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0021097 k( 77) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0021097 k( 78) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0021097 k( 79) = ( 0.5000000 0.0347222 0.5347222), wk = 0.0021097 k( 80) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0021097 k( 81) = ( 0.5000000 0.0486111 0.5486111), wk = 0.0021097 k( 82) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0021097 k( 83) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0021097 k( 84) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0021097 k( 85) = ( 0.5000000 0.0763889 0.5763889), wk = 0.0021097 k( 86) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0021097 k( 87) = ( 0.5000000 0.0902778 0.5902778), wk = 0.0021097 k( 88) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0021097 k( 89) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0021097 k( 90) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0021097 k( 91) = ( 0.5000000 0.1180556 0.6180556), wk = 0.0021097 k( 92) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0021097 k( 93) = ( 0.5000000 0.1319444 0.6319444), wk = 0.0021097 k( 94) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0021097 k( 95) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0021097 k( 96) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0021097 k( 97) = ( 0.5000000 0.1597222 0.6597222), wk = 0.0021097 k( 98) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0021097 k( 99) = ( 0.5000000 0.1736111 0.6736111), wk = 0.0021097 k( 100) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0021097 k( 101) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0021097 k( 102) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0021097 k( 103) = ( 0.5000000 0.2013889 0.7013889), wk = 0.0021097 k( 104) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0021097 k( 105) = ( 0.5000000 0.2152778 0.7152778), wk = 0.0021097 k( 106) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0021097 k( 107) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0021097 k( 108) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0021097 k( 109) = ( 0.5000000 0.2430556 0.7430556), wk = 0.0021097 k( 110) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021097 k( 111) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021097 k( 112) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0021097 k( 113) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0021097 k( 114) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0021097 k( 115) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0021097 k( 116) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0021097 k( 117) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0021097 k( 118) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0021097 k( 119) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0021097 k( 120) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0021097 k( 121) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0021097 k( 122) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0021097 k( 123) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0021097 k( 124) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0021097 k( 125) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0021097 k( 126) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0021097 k( 127) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0021097 k( 128) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0021097 k( 129) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0021097 k( 130) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0021097 k( 131) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0021097 k( 132) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0021097 k( 133) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0021097 k( 134) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0021097 k( 135) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0021097 k( 136) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0021097 k( 137) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021097 k( 138) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021097 k( 139) = ( 0.3700658 0.3700658 0.7401316), wk = 0.0021097 k( 140) = ( 0.3651316 0.3651316 0.7302632), wk = 0.0021097 k( 141) = ( 0.3601974 0.3601974 0.7203947), wk = 0.0021097 k( 142) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0021097 k( 143) = ( 0.3503289 0.3503289 0.7006579), wk = 0.0021097 k( 144) = ( 0.3453947 0.3453947 0.6907895), wk = 0.0021097 k( 145) = ( 0.3404605 0.3404605 0.6809211), wk = 0.0021097 k( 146) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0021097 k( 147) = ( 0.3305921 0.3305921 0.6611842), wk = 0.0021097 k( 148) = ( 0.3256579 0.3256579 0.6513158), wk = 0.0021097 k( 149) = ( 0.3207237 0.3207237 0.6414474), wk = 0.0021097 k( 150) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0021097 k( 151) = ( 0.3108553 0.3108553 0.6217105), wk = 0.0021097 k( 152) = ( 0.3059211 0.3059211 0.6118421), wk = 0.0021097 k( 153) = ( 0.3009868 0.3009868 0.6019737), wk = 0.0021097 k( 154) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0021097 k( 155) = ( 0.2911184 0.2911184 0.5822368), wk = 0.0021097 k( 156) = ( 0.2861842 0.2861842 0.5723684), wk = 0.0021097 k( 157) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0021097 k( 158) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0021097 k( 159) = ( 0.2713816 0.2713816 0.5427632), wk = 0.0021097 k( 160) = ( 0.2664474 0.2664474 0.5328947), wk = 0.0021097 k( 161) = ( 0.2615132 0.2615132 0.5230263), wk = 0.0021097 k( 162) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0021097 k( 163) = ( 0.2516447 0.2516447 0.5032895), wk = 0.0021097 k( 164) = ( 0.2467105 0.2467105 0.4934211), wk = 0.0021097 k( 165) = ( 0.2417763 0.2417763 0.4835526), wk = 0.0021097 k( 166) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0021097 k( 167) = ( 0.2319079 0.2319079 0.4638158), wk = 0.0021097 k( 168) = ( 0.2269737 0.2269737 0.4539474), wk = 0.0021097 k( 169) = ( 0.2220395 0.2220395 0.4440790), wk = 0.0021097 k( 170) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0021097 k( 171) = ( 0.2121710 0.2121711 0.4243421), wk = 0.0021097 k( 172) = ( 0.2072368 0.2072368 0.4144737), wk = 0.0021097 k( 173) = ( 0.2023026 0.2023026 0.4046053), wk = 0.0021097 k( 174) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0021097 k( 175) = ( 0.1924342 0.1924342 0.3848684), wk = 0.0021097 k( 176) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0021097 k( 177) = ( 0.1825658 0.1825658 0.3651316), wk = 0.0021097 k( 178) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0021097 k( 179) = ( 0.1726974 0.1726974 0.3453947), wk = 0.0021097 k( 180) = ( 0.1677632 0.1677632 0.3355263), wk = 0.0021097 k( 181) = ( 0.1628290 0.1628290 0.3256579), wk = 0.0021097 k( 182) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0021097 k( 183) = ( 0.1529605 0.1529605 0.3059211), wk = 0.0021097 k( 184) = ( 0.1480263 0.1480263 0.2960526), wk = 0.0021097 k( 185) = ( 0.1430921 0.1430921 0.2861842), wk = 0.0021097 k( 186) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0021097 k( 187) = ( 0.1332237 0.1332237 0.2664474), wk = 0.0021097 k( 188) = ( 0.1282895 0.1282895 0.2565790), wk = 0.0021097 k( 189) = ( 0.1233553 0.1233553 0.2467105), wk = 0.0021097 k( 190) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0021097 k( 191) = ( 0.1134868 0.1134868 0.2269737), wk = 0.0021097 k( 192) = ( 0.1085526 0.1085526 0.2171053), wk = 0.0021097 k( 193) = ( 0.1036184 0.1036184 0.2072368), wk = 0.0021097 k( 194) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0021097 k( 195) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0021097 k( 196) = ( 0.0888158 0.0888158 0.1776316), wk = 0.0021097 k( 197) = ( 0.0838816 0.0838816 0.1677632), wk = 0.0021097 k( 198) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0021097 k( 199) = ( 0.0740132 0.0740132 0.1480263), wk = 0.0021097 k( 200) = ( 0.0690790 0.0690790 0.1381579), wk = 0.0021097 k( 201) = ( 0.0641447 0.0641447 0.1282895), wk = 0.0021097 k( 202) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0021097 k( 203) = ( 0.0542763 0.0542763 0.1085526), wk = 0.0021097 k( 204) = ( 0.0493421 0.0493421 0.0986842), wk = 0.0021097 k( 205) = ( 0.0444079 0.0444079 0.0888158), wk = 0.0021097 k( 206) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0021097 k( 207) = ( 0.0345395 0.0345395 0.0690790), wk = 0.0021097 k( 208) = ( 0.0296053 0.0296053 0.0592105), wk = 0.0021097 k( 209) = ( 0.0246710 0.0246710 0.0493421), wk = 0.0021097 k( 210) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0021097 k( 211) = ( 0.0148026 0.0148026 0.0296053), wk = 0.0021097 k( 212) = ( 0.0098684 0.0098684 0.0197368), wk = 0.0021097 k( 213) = ( 0.0049342 0.0049342 0.0098684), wk = 0.0021097 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 216) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0021097 k( 217) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0021097 k( 218) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0021097 k( 219) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0021097 k( 220) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0021097 k( 221) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0021097 k( 222) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0021097 k( 223) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0021097 k( 224) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0021097 k( 225) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0021097 k( 226) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0021097 k( 227) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0021097 k( 228) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0021097 k( 229) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0021097 k( 230) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0021097 k( 231) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0021097 k( 232) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0021097 k( 233) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0021097 k( 234) = ( 0.1507937 0.1507937 0.1507937), wk = 0.0021097 k( 235) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0021097 k( 236) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0021097 k( 237) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0021097 k( 238) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0021097 k( 239) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0021097 k( 240) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0021097 k( 241) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0021097 k( 242) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0021097 k( 243) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0021097 k( 244) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0021097 k( 245) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0021097 k( 246) = ( 0.2460317 0.2460317 0.2460318), wk = 0.0021097 k( 247) = ( 0.2539683 0.2539683 0.2539683), wk = 0.0021097 k( 248) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0021097 k( 249) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0021097 k( 250) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0021097 k( 251) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0021097 k( 252) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0021097 k( 253) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0021097 k( 254) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0021097 k( 255) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0021097 k( 256) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0021097 k( 257) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021097 k( 258) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0021097 k( 259) = ( 0.3492063 0.3492063 0.3492064), wk = 0.0021097 k( 260) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0021097 k( 261) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0021097 k( 262) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0021097 k( 263) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0021097 k( 264) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0021097 k( 265) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0021097 k( 266) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0021097 k( 267) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0021097 k( 268) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0021097 k( 269) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0021097 k( 270) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0021097 k( 271) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0021097 k( 272) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0021097 k( 273) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0021097 k( 274) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0021097 k( 275) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0021097 k( 276) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0021097 k( 277) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0021097 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021097 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021097 k( 280) = ( 0.5028409 0.4943182 0.5028409), wk = 0.0021097 k( 281) = ( 0.5056818 0.4886364 0.5056818), wk = 0.0021097 k( 282) = ( 0.5085227 0.4829545 0.5085227), wk = 0.0021097 k( 283) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0021097 k( 284) = ( 0.5142045 0.4715909 0.5142046), wk = 0.0021097 k( 285) = ( 0.5170455 0.4659091 0.5170455), wk = 0.0021097 k( 286) = ( 0.5198864 0.4602273 0.5198864), wk = 0.0021097 k( 287) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0021097 k( 288) = ( 0.5255682 0.4488636 0.5255682), wk = 0.0021097 k( 289) = ( 0.5284091 0.4431818 0.5284091), wk = 0.0021097 k( 290) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0021097 k( 291) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0021097 k( 292) = ( 0.5369318 0.4261364 0.5369318), wk = 0.0021097 k( 293) = ( 0.5397727 0.4204545 0.5397727), wk = 0.0021097 k( 294) = ( 0.5426136 0.4147727 0.5426136), wk = 0.0021097 k( 295) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0021097 k( 296) = ( 0.5482955 0.4034091 0.5482955), wk = 0.0021097 k( 297) = ( 0.5511364 0.3977273 0.5511364), wk = 0.0021097 k( 298) = ( 0.5539773 0.3920455 0.5539773), wk = 0.0021097 k( 299) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0021097 k( 300) = ( 0.5596591 0.3806818 0.5596591), wk = 0.0021097 k( 301) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0021097 k( 302) = ( 0.5653409 0.3693182 0.5653409), wk = 0.0021097 k( 303) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0021097 k( 304) = ( 0.5710227 0.3579545 0.5710227), wk = 0.0021097 k( 305) = ( 0.5738636 0.3522727 0.5738636), wk = 0.0021097 k( 306) = ( 0.5767045 0.3465909 0.5767045), wk = 0.0021097 k( 307) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0021097 k( 308) = ( 0.5823864 0.3352273 0.5823864), wk = 0.0021097 k( 309) = ( 0.5852273 0.3295455 0.5852273), wk = 0.0021097 k( 310) = ( 0.5880682 0.3238636 0.5880682), wk = 0.0021097 k( 311) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0021097 k( 312) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0021097 k( 313) = ( 0.5965909 0.3068182 0.5965909), wk = 0.0021097 k( 314) = ( 0.5994318 0.3011364 0.5994318), wk = 0.0021097 k( 315) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0021097 k( 316) = ( 0.6051136 0.2897727 0.6051136), wk = 0.0021097 k( 317) = ( 0.6079545 0.2840909 0.6079545), wk = 0.0021097 k( 318) = ( 0.6107955 0.2784091 0.6107955), wk = 0.0021097 k( 319) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0021097 k( 320) = ( 0.6164773 0.2670455 0.6164773), wk = 0.0021097 k( 321) = ( 0.6193182 0.2613636 0.6193182), wk = 0.0021097 k( 322) = ( 0.6221591 0.2556818 0.6221591), wk = 0.0021097 k( 323) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021097 k( 324) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021097 k( 325) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0021097 k( 326) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0021097 k( 327) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0021097 k( 328) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0021097 k( 329) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0021097 k( 330) = ( 0.5961538 0.2500000 0.6538462), wk = 0.0021097 k( 331) = ( 0.5913462 0.2500000 0.6586539), wk = 0.0021097 k( 332) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0021097 k( 333) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0021097 k( 334) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0021097 k( 335) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0021097 k( 336) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0021097 k( 337) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0021097 k( 338) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0021097 k( 339) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0021097 k( 340) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0021097 k( 341) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0021097 k( 342) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0021097 k( 343) = ( 0.5336538 0.2500000 0.7163462), wk = 0.0021097 k( 344) = ( 0.5288462 0.2500000 0.7211538), wk = 0.0021097 k( 345) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0021097 k( 346) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0021097 k( 347) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0021097 k( 348) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0021097 k( 349) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0021097 k( 350) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021097 k( 351) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021097 k( 352) = ( 0.5000000 0.2549020 0.7450980), wk = 0.0021097 k( 353) = ( 0.5000000 0.2598039 0.7401961), wk = 0.0021097 k( 354) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0021097 k( 355) = ( 0.5000000 0.2696078 0.7303922), wk = 0.0021097 k( 356) = ( 0.5000000 0.2745098 0.7254902), wk = 0.0021097 k( 357) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0021097 k( 358) = ( 0.5000000 0.2843137 0.7156863), wk = 0.0021097 k( 359) = ( 0.5000000 0.2892157 0.7107843), wk = 0.0021097 k( 360) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0021097 k( 361) = ( 0.5000000 0.2990196 0.7009804), wk = 0.0021097 k( 362) = ( 0.5000000 0.3039216 0.6960784), wk = 0.0021097 k( 363) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0021097 k( 364) = ( 0.5000000 0.3137255 0.6862745), wk = 0.0021097 k( 365) = ( 0.5000000 0.3186274 0.6813725), wk = 0.0021097 k( 366) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0021097 k( 367) = ( 0.5000000 0.3284314 0.6715686), wk = 0.0021097 k( 368) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0021097 k( 369) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0021097 k( 370) = ( 0.5000000 0.3431373 0.6568628), wk = 0.0021097 k( 371) = ( 0.5000000 0.3480392 0.6519608), wk = 0.0021097 k( 372) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0021097 k( 373) = ( 0.5000000 0.3578431 0.6421569), wk = 0.0021097 k( 374) = ( 0.5000000 0.3627451 0.6372549), wk = 0.0021097 k( 375) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0021097 k( 376) = ( 0.5000000 0.3725490 0.6274510), wk = 0.0021097 k( 377) = ( 0.5000000 0.3774510 0.6225490), wk = 0.0021097 k( 378) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0021097 k( 379) = ( 0.5000000 0.3872549 0.6127451), wk = 0.0021097 k( 380) = ( 0.5000000 0.3921569 0.6078431), wk = 0.0021097 k( 381) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0021097 k( 382) = ( 0.5000000 0.4019608 0.5980392), wk = 0.0021097 k( 383) = ( 0.5000000 0.4068627 0.5931373), wk = 0.0021097 k( 384) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0021097 k( 385) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0021097 k( 386) = ( 0.5000000 0.4215686 0.5784314), wk = 0.0021097 k( 387) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0021097 k( 388) = ( 0.5000000 0.4313726 0.5686275), wk = 0.0021097 k( 389) = ( 0.5000000 0.4362745 0.5637255), wk = 0.0021097 k( 390) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0021097 k( 391) = ( 0.5000000 0.4460784 0.5539216), wk = 0.0021097 k( 392) = ( 0.5000000 0.4509804 0.5490196), wk = 0.0021097 k( 393) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0021097 k( 394) = ( 0.5000000 0.4607843 0.5392157), wk = 0.0021097 k( 395) = ( 0.5000000 0.4656863 0.5343137), wk = 0.0021097 k( 396) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0021097 k( 397) = ( 0.5000000 0.4754902 0.5245098), wk = 0.0021097 k( 398) = ( 0.5000000 0.4803922 0.5196078), wk = 0.0021097 k( 399) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0021097 k( 400) = ( 0.5000000 0.4901961 0.5098039), wk = 0.0021097 k( 401) = ( 0.5000000 0.4950980 0.5049020), wk = 0.0021097 k( 402) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021097 k( 403) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021097 k( 404) = ( 0.4971591 0.4971591 0.5056818), wk = 0.0021097 k( 405) = ( 0.4943182 0.4943182 0.5113636), wk = 0.0021097 k( 406) = ( 0.4914773 0.4914773 0.5170455), wk = 0.0021097 k( 407) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0021097 k( 408) = ( 0.4857955 0.4857955 0.5284091), wk = 0.0021097 k( 409) = ( 0.4829545 0.4829545 0.5340909), wk = 0.0021097 k( 410) = ( 0.4801136 0.4801136 0.5397727), wk = 0.0021097 k( 411) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0021097 k( 412) = ( 0.4744318 0.4744318 0.5511364), wk = 0.0021097 k( 413) = ( 0.4715909 0.4715909 0.5568182), wk = 0.0021097 k( 414) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0021097 k( 415) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0021097 k( 416) = ( 0.4630682 0.4630682 0.5738636), wk = 0.0021097 k( 417) = ( 0.4602273 0.4602273 0.5795455), wk = 0.0021097 k( 418) = ( 0.4573864 0.4573864 0.5852273), wk = 0.0021097 k( 419) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0021097 k( 420) = ( 0.4517045 0.4517045 0.5965909), wk = 0.0021097 k( 421) = ( 0.4488636 0.4488636 0.6022727), wk = 0.0021097 k( 422) = ( 0.4460227 0.4460227 0.6079545), wk = 0.0021097 k( 423) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0021097 k( 424) = ( 0.4403409 0.4403409 0.6193182), wk = 0.0021097 k( 425) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0021097 k( 426) = ( 0.4346591 0.4346591 0.6306818), wk = 0.0021097 k( 427) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0021097 k( 428) = ( 0.4289773 0.4289773 0.6420455), wk = 0.0021097 k( 429) = ( 0.4261364 0.4261364 0.6477273), wk = 0.0021097 k( 430) = ( 0.4232955 0.4232955 0.6534091), wk = 0.0021097 k( 431) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0021097 k( 432) = ( 0.4176136 0.4176136 0.6647727), wk = 0.0021097 k( 433) = ( 0.4147727 0.4147727 0.6704546), wk = 0.0021097 k( 434) = ( 0.4119318 0.4119318 0.6761364), wk = 0.0021097 k( 435) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0021097 k( 436) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0021097 k( 437) = ( 0.4034091 0.4034091 0.6931818), wk = 0.0021097 k( 438) = ( 0.4005682 0.4005682 0.6988636), wk = 0.0021097 k( 439) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0021097 k( 440) = ( 0.3948864 0.3948864 0.7102273), wk = 0.0021097 k( 441) = ( 0.3920455 0.3920455 0.7159091), wk = 0.0021097 k( 442) = ( 0.3892045 0.3892045 0.7215909), wk = 0.0021097 k( 443) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0021097 k( 444) = ( 0.3835227 0.3835227 0.7329546), wk = 0.0021097 k( 445) = ( 0.3806818 0.3806818 0.7386364), wk = 0.0021097 k( 446) = ( 0.3778409 0.3778409 0.7443182), wk = 0.0021097 k( 447) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021097 k( 448) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021097 k( 449) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0021097 k( 450) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0021097 k( 451) = ( 0.6105769 0.2211538 0.6105769), wk = 0.0021097 k( 452) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0021097 k( 453) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0021097 k( 454) = ( 0.5961538 0.1923077 0.5961539), wk = 0.0021097 k( 455) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0021097 k( 456) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0021097 k( 457) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0021097 k( 458) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0021097 k( 459) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0021097 k( 460) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0021097 k( 461) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0021097 k( 462) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0021097 k( 463) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0021097 k( 464) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0021097 k( 465) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0021097 k( 466) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0021097 k( 467) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0021097 k( 468) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0021097 k( 469) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0021097 k( 470) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0021097 k( 471) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0021097 k( 472) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0021097 k( 473) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0021097 k( 474) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021097 Dense grid: 13803 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5601 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 46, 26) NL pseudopotentials 0.02 Mb ( 23, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 385) G-vector shells 0.00 Mb ( 151) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 46, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./TaN.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.6 secs Computing kpt #: 12 total cpu time spent up to now is 2.6 secs Computing kpt #: 13 total cpu time spent up to now is 2.7 secs Computing kpt #: 14 total cpu time spent up to now is 2.8 secs Computing kpt #: 15 total cpu time spent up to now is 2.8 secs Computing kpt #: 16 total cpu time spent up to now is 2.9 secs Computing kpt #: 17 total cpu time spent up to now is 3.0 secs Computing kpt #: 18 total cpu time spent up to now is 3.0 secs Computing kpt #: 19 total cpu time spent up to now is 3.1 secs Computing kpt #: 20 total cpu time spent up to now is 3.1 secs Computing kpt #: 21 total cpu time spent up to now is 3.2 secs Computing kpt #: 22 total cpu time spent up to now is 3.3 secs Computing kpt #: 23 total cpu time spent up to now is 3.3 secs Computing kpt #: 24 total cpu time spent up to now is 3.4 secs Computing kpt #: 25 total cpu time spent up to now is 3.4 secs Computing kpt #: 26 total cpu time spent up to now is 3.5 secs Computing kpt #: 27 total cpu time spent up to now is 3.6 secs Computing kpt #: 28 total cpu time spent up to now is 3.6 secs Computing kpt #: 29 total cpu time spent up to now is 3.7 secs Computing kpt #: 30 total cpu time spent up to now is 3.7 secs Computing kpt #: 31 total cpu time spent up to now is 3.8 secs Computing kpt #: 32 total cpu time spent up to now is 3.9 secs Computing kpt #: 33 total cpu time spent up to now is 3.9 secs Computing kpt #: 34 total cpu time spent up to now is 4.0 secs Computing kpt #: 35 total cpu time spent up to now is 4.0 secs Computing kpt #: 36 total cpu time spent up to now is 4.1 secs Computing kpt #: 37 total cpu time spent up to now is 4.2 secs Computing kpt #: 38 total cpu time spent up to now is 4.2 secs Computing kpt #: 39 total cpu time spent up to now is 4.3 secs Computing kpt #: 40 total cpu time spent up to now is 4.3 secs Computing kpt #: 41 total cpu time spent up to now is 4.4 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 4.6 secs Computing kpt #: 46 total cpu time spent up to now is 4.7 secs Computing kpt #: 47 total cpu time spent up to now is 4.7 secs Computing kpt #: 48 total cpu time spent up to now is 4.8 secs Computing kpt #: 49 total cpu time spent up to now is 4.8 secs Computing kpt #: 50 total cpu time spent up to now is 4.9 secs Computing kpt #: 51 total cpu time spent up to now is 5.0 secs Computing kpt #: 52 total cpu time spent up to now is 5.0 secs Computing kpt #: 53 total cpu time spent up to now is 5.1 secs Computing kpt #: 54 total cpu time spent up to now is 5.1 secs Computing kpt #: 55 total cpu time spent up to now is 5.2 secs Computing kpt #: 56 total cpu time spent up to now is 5.3 secs Computing kpt #: 57 total cpu time spent up to now is 5.3 secs Computing kpt #: 58 total cpu time spent up to now is 5.4 secs Computing kpt #: 59 total cpu time spent up to now is 5.4 secs Computing kpt #: 60 total cpu time spent up to now is 5.5 secs Computing kpt #: 61 total cpu time spent up to now is 5.5 secs Computing kpt #: 62 total cpu time spent up to now is 5.6 secs Computing kpt #: 63 total cpu time spent up to now is 5.7 secs Computing kpt #: 64 total cpu time spent up to now is 5.7 secs Computing kpt #: 65 total cpu time spent up to now is 5.8 secs Computing kpt #: 66 total cpu time spent up to now is 5.9 secs Computing kpt #: 67 total cpu time spent up to now is 5.9 secs Computing kpt #: 68 total cpu time spent up to now is 6.0 secs Computing kpt #: 69 total cpu time spent up to now is 6.0 secs Computing kpt #: 70 total cpu time spent up to now is 6.1 secs Computing kpt #: 71 total cpu time spent up to now is 6.2 secs Computing kpt #: 72 total cpu time spent up to now is 6.2 secs Computing kpt #: 73 total cpu time spent up to now is 6.3 secs Computing kpt #: 74 total cpu time spent up to now is 6.3 secs Computing kpt #: 75 total cpu time spent up to now is 6.4 secs Computing kpt #: 76 total cpu time spent up to now is 6.4 secs Computing kpt #: 77 total cpu time spent up to now is 6.5 secs Computing kpt #: 78 total cpu time spent up to 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spent up to now is 7.7 secs Computing kpt #: 95 total cpu time spent up to now is 7.7 secs Computing kpt #: 96 total cpu time spent up to now is 7.8 secs Computing kpt #: 97 total cpu time spent up to now is 7.8 secs Computing kpt #: 98 total cpu time spent up to now is 7.9 secs Computing kpt #: 99 total cpu time spent up to now is 7.9 secs Computing kpt #: 100 total cpu time spent up to now is 8.0 secs Computing kpt #: 101 total cpu time spent up to now is 8.1 secs Computing kpt #: 102 total cpu time spent up to now is 8.1 secs Computing kpt #: 103 total cpu time spent up to now is 8.2 secs Computing kpt #: 104 total cpu time spent up to now is 8.2 secs Computing kpt #: 105 total cpu time spent up to now is 8.3 secs Computing kpt #: 106 total cpu time spent up to now is 8.4 secs Computing kpt #: 107 total cpu time spent up to now is 8.4 secs Computing kpt #: 108 total cpu time spent up to now is 8.5 secs Computing kpt #: 109 total cpu time spent up to now is 8.5 secs Computing kpt #: 110 total cpu time spent up to now is 8.6 secs Computing kpt #: 111 total cpu time spent up to now is 8.6 secs Computing kpt #: 112 total cpu time spent up to now is 8.7 secs Computing kpt #: 113 total cpu time spent up to now is 8.8 secs Computing kpt #: 114 total cpu time spent up to now is 8.8 secs Computing kpt #: 115 total cpu time spent up to now is 8.9 secs Computing kpt #: 116 total cpu time spent up to now is 8.9 secs Computing kpt #: 117 total cpu time spent up to now is 9.0 secs Computing kpt #: 118 total cpu time spent up to now is 9.0 secs Computing kpt #: 119 total cpu time spent up to now is 9.1 secs Computing kpt #: 120 total cpu time spent up to now is 9.2 secs Computing kpt #: 121 total cpu time spent up to now is 9.2 secs Computing kpt #: 122 total cpu time spent up to now is 9.3 secs Computing kpt #: 123 total cpu time spent up to now is 9.3 secs Computing kpt #: 124 total cpu time spent up to now is 9.4 secs Computing kpt #: 125 total cpu time spent up to now is 9.5 secs Computing kpt #: 126 total cpu time spent up to now is 9.5 secs Computing kpt #: 127 total cpu time spent up to now is 9.6 secs Computing kpt #: 128 total cpu time spent up to now is 9.6 secs Computing kpt #: 129 total cpu time spent up to now is 9.7 secs Computing kpt #: 130 total cpu time spent up to now is 9.8 secs Computing kpt #: 131 total cpu time spent up to now is 9.8 secs Computing kpt #: 132 total cpu time spent up to now is 9.9 secs Computing kpt #: 133 total cpu time spent up to now is 9.9 secs Computing kpt #: 134 total cpu time spent up to now is 10.0 secs Computing kpt #: 135 total cpu time spent up to now is 10.1 secs Computing kpt #: 136 total cpu time spent up to now is 10.1 secs Computing kpt #: 137 total cpu time spent up to now is 10.2 secs Computing kpt #: 138 total cpu time spent up to now is 10.2 secs Computing kpt #: 139 total cpu time spent up to now is 10.3 secs Computing kpt #: 140 total cpu time spent up to now is 10.4 secs Computing kpt #: 141 total cpu time spent up to now is 10.4 secs Computing kpt #: 142 total cpu time spent up to now is 10.5 secs Computing kpt #: 143 total cpu time spent up to now is 10.5 secs Computing kpt #: 144 total cpu time spent up to now is 10.6 secs Computing kpt #: 145 total cpu time spent up to now is 10.6 secs Computing kpt #: 146 total cpu time spent up to now is 10.7 secs Computing kpt #: 147 total cpu time spent up to now is 10.8 secs Computing kpt #: 148 total cpu time spent up to now is 10.8 secs Computing kpt #: 149 total cpu time spent up to now is 10.9 secs Computing kpt #: 150 total cpu time spent up to now is 10.9 secs Computing kpt #: 151 total cpu time spent up to now is 11.0 secs Computing kpt #: 152 total cpu time spent up to now is 11.1 secs Computing kpt #: 153 total cpu time spent up to now is 11.1 secs Computing kpt #: 154 total cpu time spent up to now is 11.2 secs Computing kpt #: 155 total cpu time spent up to now is 11.2 secs Computing kpt #: 156 total cpu time spent up to now is 11.3 secs Computing kpt #: 157 total cpu time spent up to now is 11.4 secs Computing kpt #: 158 total cpu time spent up to now is 11.5 secs Computing kpt #: 159 total cpu time spent up to now is 11.5 secs Computing kpt #: 160 total cpu time spent up to now is 11.6 secs Computing kpt #: 161 total cpu time spent up to now is 11.7 secs Computing kpt #: 162 total cpu time spent up to now is 11.8 secs Computing kpt #: 163 total cpu time spent up to now is 11.9 secs Computing kpt #: 164 total cpu time spent up to now is 12.0 secs Computing kpt #: 165 total cpu time spent up to now is 12.1 secs Computing kpt #: 166 total cpu time spent up to now is 12.1 secs Computing kpt #: 167 total cpu time spent up to now is 12.2 secs Computing kpt #: 168 total cpu time spent up to now is 12.3 secs Computing kpt #: 169 total cpu time spent up to now is 12.4 secs Computing kpt #: 170 total cpu time spent up to now is 12.5 secs Computing kpt #: 171 total cpu time spent up to now is 12.5 secs Computing kpt #: 172 total cpu time spent up to now is 12.6 secs Computing kpt #: 173 total cpu time spent up to now is 12.7 secs Computing kpt #: 174 total cpu time spent up to now is 12.8 secs Computing kpt #: 175 total cpu time spent up to now is 12.9 secs Computing kpt #: 176 total cpu time spent up to now is 12.9 secs Computing kpt #: 177 total cpu time spent up to now is 13.0 secs Computing kpt #: 178 total cpu time spent up to now is 13.1 secs Computing kpt #: 179 total cpu time spent up to now is 13.2 secs Computing kpt #: 180 total cpu time spent up to now is 13.2 secs Computing kpt #: 181 total cpu time spent up to now is 13.3 secs Computing kpt #: 182 total cpu time spent up to now is 13.4 secs Computing kpt #: 183 total cpu time spent up to now is 13.5 secs Computing kpt #: 184 total cpu time spent up to now is 13.5 secs Computing kpt #: 185 total cpu time spent up to now is 13.6 secs Computing kpt #: 186 total cpu time spent up to now is 13.7 secs Computing kpt #: 187 total cpu time spent up to now is 13.7 secs Computing kpt #: 188 total cpu time spent up to now is 13.8 secs Computing kpt #: 189 total cpu time spent up to now is 13.9 secs Computing kpt #: 190 total cpu time spent up to now is 13.9 secs Computing kpt #: 191 total cpu time spent up to now is 14.0 secs Computing kpt #: 192 total cpu time spent up to now is 14.1 secs Computing kpt #: 193 total cpu time spent up to now is 14.1 secs Computing kpt #: 194 total cpu time spent up to now is 14.2 secs Computing kpt #: 195 total cpu time spent up to now is 14.3 secs Computing kpt #: 196 total cpu time spent up to now is 14.3 secs Computing kpt #: 197 total cpu time spent up to now is 14.4 secs Computing kpt #: 198 total cpu time spent up to now is 14.5 secs Computing kpt #: 199 total cpu time spent up to now is 14.5 secs Computing kpt #: 200 total cpu time spent up to now is 14.6 secs Computing kpt #: 201 total cpu time spent up to now is 14.6 secs Computing kpt #: 202 total cpu time spent up to now is 14.7 secs Computing kpt #: 203 total cpu time spent up to now is 14.8 secs Computing kpt #: 204 total cpu time spent up to now is 14.8 secs Computing kpt #: 205 total cpu time spent up to now is 14.9 secs Computing kpt #: 206 total cpu time spent up to now is 15.0 secs Computing kpt #: 207 total cpu time spent up to now is 15.0 secs Computing kpt #: 208 total cpu time spent up to now is 15.1 secs Computing kpt #: 209 total cpu time spent up to now is 15.1 secs Computing kpt #: 210 total cpu time spent up to now is 15.2 secs Computing kpt #: 211 total cpu time spent up to now is 15.3 secs Computing kpt #: 212 total cpu time spent up to now is 15.3 secs Computing kpt #: 213 total cpu time spent up to now is 15.4 secs Computing kpt #: 214 total cpu time spent up to now is 15.4 secs Computing kpt #: 215 total cpu time spent up to now is 15.5 secs Computing kpt #: 216 total cpu time spent up to now is 15.6 secs Computing kpt #: 217 total cpu time spent up to now is 15.6 secs Computing kpt #: 218 total cpu time spent up to now is 15.7 secs Computing kpt #: 219 total cpu time spent up to now is 15.7 secs Computing kpt #: 220 total cpu time spent up to now is 15.8 secs Computing kpt #: 221 total cpu time spent up to now is 15.9 secs Computing kpt #: 222 total cpu time spent up to now is 15.9 secs Computing kpt #: 223 total cpu time spent up to now is 16.0 secs Computing kpt #: 224 total cpu time spent up to now is 16.1 secs Computing kpt #: 225 total cpu time spent up to now is 16.1 secs Computing kpt #: 226 total cpu time spent up to now is 16.2 secs Computing kpt #: 227 total cpu time spent up to now is 16.2 secs Computing kpt #: 228 total cpu time spent up to now is 16.3 secs Computing kpt #: 229 total cpu time spent up to now is 16.4 secs Computing kpt #: 230 total cpu time spent up to now is 16.4 secs Computing kpt #: 231 total cpu time spent up to now is 16.5 secs Computing kpt #: 232 total cpu time spent up to now is 16.5 secs Computing kpt #: 233 total cpu time spent up to now is 16.6 secs Computing kpt #: 234 total cpu time spent up to now is 16.7 secs Computing kpt #: 235 total cpu time spent up to now is 16.7 secs Computing kpt #: 236 total cpu time spent up to now is 16.8 secs Computing kpt #: 237 total cpu time spent up to now is 16.9 secs Computing kpt #: 238 total cpu time spent up to now is 16.9 secs Computing kpt #: 239 total cpu time spent up to now is 17.0 secs Computing kpt #: 240 total cpu time spent up to now is 17.1 secs Computing kpt #: 241 total cpu time spent up to now is 17.1 secs Computing kpt #: 242 total cpu time spent up to now is 17.2 secs Computing kpt #: 243 total cpu time spent up to now is 17.3 secs Computing kpt #: 244 total cpu time spent up to now is 17.3 secs Computing kpt #: 245 total cpu time spent up to now is 17.4 secs Computing kpt #: 246 total cpu time spent up to now is 17.5 secs Computing kpt #: 247 total cpu time spent up to now is 17.6 secs Computing kpt #: 248 total cpu time spent up to now is 17.6 secs Computing kpt #: 249 total cpu time spent up to now is 17.7 secs Computing kpt #: 250 total cpu time spent up to now is 17.8 secs Computing kpt #: 251 total cpu time spent up to now is 17.9 secs Computing kpt #: 252 total cpu time spent up to now is 17.9 secs Computing kpt #: 253 total cpu time spent up to now is 18.0 secs Computing kpt #: 254 total cpu time spent up to now is 18.1 secs Computing kpt #: 255 total cpu time spent up to now is 18.2 secs Computing kpt #: 256 total cpu time spent up to now is 18.3 secs Computing kpt #: 257 total cpu time spent up to now is 18.3 secs Computing kpt #: 258 total cpu time spent up to now is 18.4 secs Computing kpt #: 259 total cpu time spent up to now is 18.5 secs Computing kpt #: 260 total cpu time spent up to now is 18.6 secs Computing kpt #: 261 total cpu time spent up to now is 18.7 secs Computing kpt #: 262 total cpu time spent up to now is 18.7 secs Computing kpt #: 263 total cpu time spent up to now is 18.8 secs Computing kpt #: 264 total cpu time spent up to now is 18.9 secs Computing kpt #: 265 total cpu time spent up to now is 19.0 secs Computing kpt #: 266 total cpu time spent up to now is 19.1 secs Computing kpt #: 267 total cpu time spent up to now is 19.1 secs Computing kpt #: 268 total cpu time spent up to now is 19.2 secs Computing kpt #: 269 total cpu time spent up to now is 19.3 secs Computing kpt #: 270 total cpu time spent up to now is 19.4 secs Computing kpt #: 271 total cpu time spent up to now is 19.5 secs Computing kpt #: 272 total cpu time spent up to now is 19.5 secs Computing kpt #: 273 total cpu time spent up to now is 19.6 secs Computing kpt #: 274 total cpu time spent up to now is 19.7 secs Computing kpt #: 275 total cpu time spent up to now is 19.7 secs Computing kpt #: 276 total cpu time spent up to now is 19.8 secs Computing kpt #: 277 total cpu time spent up to now is 19.9 secs Computing kpt #: 278 total cpu time spent up to now is 19.9 secs Computing kpt #: 279 total cpu time spent up to now is 20.0 secs Computing kpt #: 280 total cpu time spent up to now is 20.1 secs Computing kpt #: 281 total cpu time spent up to now is 20.2 secs Computing kpt #: 282 total cpu time spent up to now is 20.2 secs Computing kpt #: 283 total cpu time spent up to now is 20.3 secs Computing kpt #: 284 total cpu time spent up to now is 20.4 secs Computing kpt #: 285 total cpu time spent up to now is 20.4 secs Computing kpt #: 286 total cpu time spent up to now is 20.5 secs Computing kpt #: 287 total cpu time spent up to now is 20.6 secs Computing kpt #: 288 total cpu time spent up to now is 20.7 secs Computing kpt #: 289 total cpu time spent up to now is 20.8 secs Computing kpt #: 290 total cpu time spent up to now is 20.9 secs Computing kpt #: 291 total cpu time spent up to now is 21.0 secs Computing kpt #: 292 total cpu time spent up to now is 21.0 secs Computing kpt #: 293 total cpu time spent up to now is 21.1 secs Computing kpt #: 294 total cpu time spent up to now is 21.2 secs Computing kpt #: 295 total cpu time spent up to now is 21.3 secs Computing kpt #: 296 total cpu time spent up to now is 21.4 secs Computing kpt #: 297 total cpu time spent up to now is 21.5 secs Computing kpt #: 298 total cpu time spent up to now is 21.5 secs Computing kpt #: 299 total cpu time spent up to now is 21.6 secs Computing kpt #: 300 total cpu time spent up to now is 21.7 secs Computing kpt #: 301 total cpu time spent up to now is 21.8 secs Computing kpt #: 302 total cpu time spent up to now is 21.8 secs Computing kpt #: 303 total cpu time spent up to now is 21.9 secs Computing kpt #: 304 total cpu time spent up to now is 22.0 secs Computing kpt #: 305 total cpu time spent up to now is 22.0 secs Computing kpt #: 306 total cpu time spent up to now is 22.1 secs Computing kpt #: 307 total cpu time spent up to now is 22.2 secs Computing kpt #: 308 total cpu time spent up to now is 22.3 secs Computing kpt #: 309 total cpu time spent up to now is 22.3 secs Computing kpt #: 310 total cpu time spent up to now is 22.4 secs Computing kpt #: 311 total cpu time spent up to now is 22.4 secs Computing kpt #: 312 total cpu time spent up to now is 22.5 secs Computing kpt #: 313 total cpu time spent up to now is 22.6 secs Computing kpt #: 314 total cpu time spent up to now is 22.6 secs Computing kpt #: 315 total cpu time spent up to now is 22.7 secs Computing kpt #: 316 total cpu time spent up to now is 23.3 secs Computing kpt #: 317 total cpu time spent up to now is 23.3 secs Computing kpt #: 318 total cpu time spent up to now is 23.4 secs Computing kpt #: 319 total cpu time spent up to now is 23.5 secs Computing kpt #: 320 total cpu time spent up to now is 23.5 secs Computing kpt #: 321 total cpu time spent up to now is 23.6 secs Computing kpt #: 322 total cpu time spent up to now is 23.6 secs Computing kpt #: 323 total cpu time spent up to now is 23.7 secs Computing kpt #: 324 total cpu time spent up to now is 23.8 secs Computing kpt #: 325 total cpu time spent up to now is 23.8 secs Computing kpt #: 326 total cpu time spent up to now is 23.9 secs Computing kpt #: 327 total cpu time spent up to now is 23.9 secs Computing kpt #: 328 total cpu time spent up to now is 24.0 secs Computing kpt #: 329 total cpu time spent up to now is 24.0 secs Computing kpt #: 330 total cpu time spent up to now is 24.1 secs Computing kpt #: 331 total cpu time spent up to now is 24.2 secs Computing kpt #: 332 total cpu time spent up to now is 24.2 secs Computing kpt #: 333 total cpu time spent up to now is 24.3 secs Computing kpt #: 334 total cpu time spent up to now is 24.3 secs Computing kpt #: 335 total cpu time spent up to now is 24.4 secs Computing kpt #: 336 total cpu time spent up to now is 24.5 secs Computing kpt #: 337 total cpu time spent up to now is 24.5 secs Computing kpt #: 338 total cpu time spent up to now is 24.6 secs Computing kpt #: 339 total cpu time spent up to now is 24.6 secs Computing kpt #: 340 total cpu time spent up to now is 24.7 secs Computing kpt #: 341 total cpu time spent up to now is 24.8 secs Computing kpt #: 342 total cpu time spent up to now is 24.8 secs Computing kpt #: 343 total cpu time spent up to now is 24.9 secs Computing kpt #: 344 total cpu time spent up to now is 24.9 secs Computing kpt #: 345 total cpu time spent up to now is 25.0 secs Computing kpt #: 346 total cpu time spent up to now is 25.1 secs Computing kpt #: 347 total cpu time spent up to now is 25.1 secs Computing kpt #: 348 total cpu time spent up to now is 25.2 secs Computing kpt #: 349 total cpu time spent up to now is 25.2 secs Computing kpt #: 350 total cpu time spent up to now is 25.3 secs Computing kpt #: 351 total cpu time spent up to now is 25.4 secs Computing kpt #: 352 total cpu time spent up to now is 25.4 secs Computing kpt #: 353 total cpu time spent up to now is 25.5 secs Computing kpt #: 354 total cpu time spent up to now is 25.6 secs Computing kpt #: 355 total cpu time spent up to now is 25.6 secs Computing kpt #: 356 total cpu time spent up to now is 25.7 secs Computing kpt #: 357 total cpu time spent up to now is 25.7 secs Computing kpt #: 358 total cpu time spent up to now is 25.8 secs Computing kpt #: 359 total cpu time spent up to now is 25.8 secs Computing kpt #: 360 total cpu time spent up to now is 25.9 secs Computing kpt #: 361 total cpu time spent up to now is 26.0 secs Computing kpt #: 362 total cpu time spent up to now is 26.0 secs Computing kpt #: 363 total cpu time spent up to now is 26.1 secs Computing kpt #: 364 total cpu time spent up to now is 26.1 secs Computing kpt #: 365 total cpu time spent up to now is 26.2 secs Computing kpt #: 366 total cpu time spent up to now is 26.3 secs Computing kpt #: 367 total cpu time spent up to now is 26.3 secs Computing kpt #: 368 total cpu time spent up to now is 26.4 secs Computing kpt #: 369 total cpu time spent up to now is 26.5 secs Computing kpt #: 370 total cpu time spent up to now is 26.5 secs Computing kpt #: 371 total cpu time spent up to now is 26.6 secs Computing kpt #: 372 total cpu time spent up to now is 26.6 secs Computing kpt #: 373 total cpu time spent up to now is 26.7 secs Computing kpt #: 374 total cpu time spent up to now is 26.8 secs Computing kpt #: 375 total cpu time spent up to now is 26.8 secs Computing kpt #: 376 total cpu time spent up to now is 26.9 secs Computing kpt #: 377 total cpu time spent up to now is 27.0 secs Computing kpt #: 378 total cpu time spent up to now is 27.0 secs Computing kpt #: 379 total cpu time spent up to now is 27.1 secs Computing kpt #: 380 total cpu time spent up to now is 27.2 secs Computing kpt #: 381 total cpu time spent up to now is 27.2 secs Computing kpt #: 382 total cpu time spent up to now is 27.3 secs Computing kpt #: 383 total cpu time spent up to now is 27.4 secs Computing kpt #: 384 total cpu time spent up to now is 27.4 secs Computing kpt #: 385 total cpu time spent up to now is 27.5 secs Computing kpt #: 386 total cpu time spent up to now is 27.6 secs Computing kpt #: 387 total cpu time spent up to now is 27.7 secs Computing kpt #: 388 total cpu time spent up to now is 27.7 secs Computing kpt #: 389 total cpu time spent up to now is 27.8 secs Computing kpt #: 390 total cpu time spent up to now is 27.9 secs Computing kpt #: 391 total cpu time spent up to now is 28.0 secs Computing kpt #: 392 total cpu time spent up to now is 28.1 secs Computing kpt #: 393 total cpu time spent up to now is 28.2 secs Computing kpt #: 394 total cpu time spent up to now is 28.3 secs Computing kpt #: 395 total cpu time spent up to now is 28.4 secs Computing kpt #: 396 total cpu time spent up to now is 28.5 secs Computing kpt #: 397 total cpu time spent up to now is 28.5 secs Computing kpt #: 398 total cpu time spent up to now is 28.6 secs Computing kpt #: 399 total cpu time spent up to now is 28.7 secs Computing kpt #: 400 total cpu time spent up to now is 28.7 secs Computing kpt #: 401 total cpu time spent up to now is 28.8 secs Computing kpt #: 402 total cpu time spent up to now is 28.9 secs Computing kpt #: 403 total cpu time spent up to now is 29.0 secs Computing kpt #: 404 total cpu time spent up to now is 29.0 secs Computing kpt #: 405 total cpu time spent up to now is 29.1 secs Computing kpt #: 406 total cpu time spent up to now is 29.2 secs Computing kpt #: 407 total cpu time spent up to now is 29.2 secs Computing kpt #: 408 total cpu time spent up to now is 29.3 secs Computing kpt #: 409 total cpu time spent up to now is 29.3 secs Computing kpt #: 410 total cpu time spent up to now is 29.4 secs Computing kpt #: 411 total cpu time spent up to now is 29.5 secs Computing kpt #: 412 total cpu time spent up to now is 29.6 secs Computing kpt #: 413 total cpu time spent up to now is 29.7 secs Computing kpt #: 414 total cpu time spent up to now is 29.8 secs Computing kpt #: 415 total cpu time spent up to now is 29.9 secs Computing kpt #: 416 total cpu time spent up to now is 30.0 secs Computing kpt #: 417 total cpu time spent up to now is 30.0 secs Computing kpt #: 418 total cpu time spent up to now is 30.1 secs Computing kpt #: 419 total cpu time spent up to now is 30.2 secs Computing kpt #: 420 total cpu time spent up to now is 30.3 secs Computing kpt #: 421 total cpu time spent up to now is 30.4 secs Computing kpt #: 422 total cpu time spent up to now is 30.5 secs Computing kpt #: 423 total cpu time spent up to now is 30.5 secs Computing kpt #: 424 total cpu time spent up to now is 30.6 secs Computing kpt #: 425 total cpu time spent up to now is 30.7 secs Computing kpt #: 426 total cpu time spent up to now is 30.7 secs Computing kpt #: 427 total cpu time spent up to now is 30.8 secs Computing kpt #: 428 total cpu time spent up to now is 30.9 secs Computing kpt #: 429 total cpu time spent up to now is 30.9 secs Computing kpt #: 430 total cpu time spent up to now is 31.0 secs Computing kpt #: 431 total cpu time spent up to now is 31.1 secs Computing kpt #: 432 total cpu time spent up to now is 31.1 secs Computing kpt #: 433 total cpu time spent up to now is 31.2 secs Computing kpt #: 434 total cpu time spent up to now is 31.3 secs Computing kpt #: 435 total cpu time spent up to now is 31.3 secs Computing kpt #: 436 total cpu time spent up to now is 31.4 secs Computing kpt #: 437 total cpu time spent up to now is 31.4 secs Computing kpt #: 438 total cpu time spent up to now is 31.5 secs Computing kpt #: 439 total cpu time spent up to now is 31.6 secs Computing kpt #: 440 total cpu time spent up to now is 31.6 secs Computing kpt #: 441 total cpu time spent up to now is 31.7 secs Computing kpt #: 442 total cpu time spent up to now is 31.7 secs Computing kpt #: 443 total cpu time spent up to now is 31.8 secs Computing kpt #: 444 total cpu time spent up to now is 31.8 secs Computing kpt #: 445 total cpu time spent up to now is 31.9 secs Computing kpt #: 446 total cpu time spent up to now is 32.0 secs Computing kpt #: 447 total cpu time spent up to now is 32.0 secs Computing kpt #: 448 total cpu time spent up to now is 32.1 secs Computing kpt #: 449 total cpu time spent up to now is 32.1 secs Computing kpt #: 450 total cpu time spent up to now is 32.2 secs Computing kpt #: 451 total cpu time spent up to now is 32.3 secs Computing kpt #: 452 total cpu time spent up to now is 32.3 secs Computing kpt #: 453 total cpu time spent up to now is 32.4 secs Computing kpt #: 454 total cpu time spent up to now is 32.4 secs Computing kpt #: 455 total cpu time spent up to now is 32.5 secs Computing kpt #: 456 total cpu time spent up to now is 32.6 secs Computing kpt #: 457 total cpu time spent up to now is 32.6 secs Computing kpt #: 458 total cpu time spent up to now is 32.7 secs Computing kpt #: 459 total cpu time spent up to now is 32.7 secs Computing kpt #: 460 total cpu time spent up to now is 32.8 secs Computing kpt #: 461 total cpu time spent up to now is 32.9 secs Computing kpt #: 462 total cpu time spent up to now is 32.9 secs Computing kpt #: 463 total cpu time spent up to now is 33.0 secs Computing kpt #: 464 total cpu time spent up to now is 33.0 secs Computing kpt #: 465 total cpu time spent up to now is 33.1 secs Computing kpt #: 466 total cpu time spent up to now is 33.2 secs Computing kpt #: 467 total cpu time spent up to now is 33.2 secs Computing kpt #: 468 total cpu time spent up to now is 33.3 secs Computing kpt #: 469 total cpu time spent up to now is 33.4 secs Computing kpt #: 470 total cpu time spent up to now is 33.4 secs Computing kpt #: 471 total cpu time spent up to now is 33.5 secs Computing kpt #: 472 total cpu time spent up to now is 33.5 secs Computing kpt #: 473 total cpu time spent up to now is 33.6 secs Computing kpt #: 474 total cpu time spent up to now is 33.7 secs ethr = 5.56E-08, avg # of iterations = 9.3 total cpu time spent up to now is 33.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -47.5625 -47.5625 -20.2623 -20.2623 -11.4302 -11.4302 -11.4302 -11.4302 2.9044 2.9044 17.7433 17.7433 17.9593 17.9593 17.9593 17.9593 19.5638 19.5638 19.5638 19.5638 19.9398 19.9398 21.9648 21.9648 21.9648 21.9648 k = 0.0069-0.0040 0.0057 ( 725 PWs) bands (ev): -47.5624 -47.5624 -20.2625 -20.2625 -11.4307 -11.4307 -11.4304 -11.4304 2.9060 2.9060 17.7368 17.7368 17.9474 17.9474 17.9555 17.9555 19.5644 19.5644 19.5710 19.5710 19.9431 19.9431 21.9656 21.9656 21.9773 21.9773 k = 0.0139-0.0080 0.0113 ( 725 PWs) bands (ev): -47.5623 -47.5623 -20.2629 -20.2629 -11.4320 -11.4320 -11.4309 -11.4309 2.9108 2.9108 17.7163 17.7163 17.9136 17.9136 17.9442 17.9442 19.5655 19.5655 19.5922 19.5922 19.9534 19.9534 21.9680 21.9680 22.0137 22.0137 k = 0.0208-0.0120 0.0170 ( 725 PWs) bands (ev): -47.5621 -47.5621 -20.2635 -20.2635 -11.4342 -11.4342 -11.4318 -11.4318 2.9188 2.9188 17.6791 17.6791 17.8634 17.8634 17.9260 17.9260 19.5656 19.5656 19.6267 19.6267 19.9719 19.9719 21.9719 21.9719 22.0716 22.0716 k = 0.0278-0.0160 0.0227 ( 717 PWs) bands (ev): -47.5618 -47.5618 -20.2642 -20.2642 -11.4370 -11.4370 -11.4329 -11.4329 2.9300 2.9300 17.6199 17.6199 17.8061 17.8061 17.9017 17.9017 19.5626 19.5626 19.6732 19.6732 20.0002 20.0002 21.9775 21.9775 22.1471 22.1471 k = 0.0347-0.0200 0.0284 ( 717 PWs) bands (ev): -47.5614 -47.5614 -20.2653 -20.2653 -11.4410 -11.4410 -11.4345 -11.4345 2.9443 2.9443 17.5341 17.5341 17.7500 17.7500 17.8719 17.8719 19.5544 19.5544 19.7303 19.7303 20.0390 20.0390 21.9846 21.9846 22.2356 22.2356 k = 0.0417-0.0241 0.0340 ( 717 PWs) bands (ev): -47.5610 -47.5610 -20.2667 -20.2667 -11.4458 -11.4458 -11.4364 -11.4364 2.9617 2.9617 17.4237 17.4237 17.6979 17.6979 17.8378 17.8378 19.5401 19.5401 19.7967 19.7967 20.0888 20.0888 21.9933 21.9933 22.3319 22.3319 k = 0.0486-0.0281 0.0397 ( 717 PWs) bands (ev): -47.5606 -47.5606 -20.2684 -20.2684 -11.4514 -11.4514 -11.4386 -11.4386 2.9821 2.9821 17.2945 17.2945 17.6482 17.6482 17.8001 17.8001 19.5193 19.5193 19.8713 19.8713 20.1490 20.1490 22.0036 22.0036 22.4308 22.4308 k = 0.0556-0.0321 0.0454 ( 709 PWs) bands (ev): -47.5599 -47.5599 -20.2701 -20.2701 -11.4575 -11.4575 -11.4411 -11.4411 3.0054 3.0054 17.1520 17.1520 17.5992 17.5992 17.7600 17.7600 19.4921 19.4921 19.9532 19.9532 20.2188 20.2188 22.0156 22.0156 22.5280 22.5280 k = 0.0625-0.0361 0.0510 ( 709 PWs) bands (ev): -47.5593 -47.5593 -20.2722 -20.2722 -11.4647 -11.4647 -11.4440 -11.4440 3.0316 3.0316 17.0000 17.0000 17.5501 17.5501 17.7180 17.7180 19.4591 19.4591 20.0413 20.0413 20.2970 20.2970 22.0291 22.0291 22.6198 22.6198 k = 0.0694-0.0401 0.0567 ( 705 PWs) bands (ev): -47.5586 -47.5586 -20.2745 -20.2745 -11.4727 -11.4727 -11.4471 -11.4471 3.0604 3.0604 16.8414 16.8414 17.5009 17.5009 17.6749 17.6749 19.4209 19.4209 20.1351 20.1351 20.3826 20.3826 22.0443 22.0443 22.7045 22.7045 k = 0.0764-0.0441 0.0624 ( 705 PWs) bands (ev): -47.5578 -47.5578 -20.2771 -20.2771 -11.4814 -11.4814 -11.4507 -11.4507 3.0919 3.0919 16.6783 16.6783 17.4517 17.4517 17.6311 17.6311 19.3778 19.3778 20.2337 20.2337 20.4745 20.4745 22.0612 22.0612 22.7816 22.7816 k = 0.0833-0.0481 0.0680 ( 693 PWs) bands (ev): -47.5569 -47.5569 -20.2796 -20.2796 -11.4906 -11.4906 -11.4543 -11.4543 3.1260 3.1260 16.5127 16.5127 17.4030 17.4030 17.5875 17.5875 19.3303 19.3303 20.3367 20.3367 20.5720 20.5720 22.0798 22.0798 22.8517 22.8517 k = 0.0903-0.0521 0.0737 ( 693 PWs) bands (ev): -47.5560 -47.5560 -20.2827 -20.2827 -11.5008 -11.5008 -11.4585 -11.4585 3.1624 3.1624 16.3457 16.3457 17.3546 17.3546 17.5440 17.5440 19.2790 19.2790 20.4436 20.4436 20.6743 20.6743 22.1000 22.1000 22.9161 22.9161 k = 0.0972-0.0561 0.0794 ( 693 PWs) bands (ev): -47.5551 -47.5551 -20.2860 -20.2860 -11.5116 -11.5116 -11.4630 -11.4630 3.2009 3.2009 16.1785 16.1785 17.3071 17.3071 17.5012 17.5012 19.2242 19.2242 20.5539 20.5539 20.7809 20.7809 22.1218 22.1218 22.9759 22.9759 k = 0.1042-0.0601 0.0851 ( 693 PWs) bands (ev): -47.5541 -47.5541 -20.2895 -20.2895 -11.5230 -11.5230 -11.4677 -11.4677 3.2415 3.2415 16.0122 16.0122 17.2606 17.2606 17.4593 17.4593 19.1662 19.1662 20.6674 20.6674 20.8911 20.8911 22.1454 22.1454 23.0325 23.0325 k = 0.1111-0.0642 0.0907 ( 697 PWs) bands (ev): -47.5530 -47.5530 -20.2933 -20.2933 -11.5352 -11.5352 -11.4728 -11.4728 3.2840 3.2840 15.8474 15.8474 17.2152 17.2152 17.4186 17.4186 19.1055 19.1055 20.7836 20.7836 21.0044 21.0044 22.1707 22.1707 23.0868 23.0868 k = 0.1181-0.0682 0.0964 ( 697 PWs) bands (ev): -47.5519 -47.5519 -20.2972 -20.2972 -11.5478 -11.5478 -11.4781 -11.4781 3.3282 3.3282 15.6850 15.6850 17.1714 17.1714 17.3794 17.3794 19.0422 19.0422 20.9023 20.9023 21.1205 21.1205 22.1978 22.1978 23.1399 23.1399 k = 0.1250-0.0722 0.1021 ( 697 PWs) bands (ev): -47.5507 -47.5507 -20.3012 -20.3012 -11.5609 -11.5609 -11.4837 -11.4837 3.3739 3.3739 15.5257 15.5257 17.1290 17.1290 17.3416 17.3416 18.9768 18.9768 21.0232 21.0232 21.2388 21.2388 22.2269 22.2269 23.1923 23.1923 k = 0.1319-0.0762 0.1077 ( 697 PWs) bands (ev): -47.5495 -47.5495 -20.3055 -20.3055 -11.5745 -11.5745 -11.4895 -11.4895 3.4209 3.4209 15.3698 15.3698 17.0883 17.0883 17.3056 17.3056 18.9094 18.9094 21.1460 21.1460 21.3590 21.3590 22.2579 22.2579 23.2446 23.2446 k = 0.1389-0.0802 0.1134 ( 697 PWs) bands (ev): -47.5482 -47.5482 -20.3099 -20.3099 -11.5885 -11.5885 -11.4955 -11.4955 3.4689 3.4689 15.2181 15.2181 17.0494 17.0494 17.2713 17.2713 18.8404 18.8404 21.2704 21.2704 21.4804 21.4804 22.2912 22.2912 23.2973 23.2973 k = 0.1458-0.0842 0.1191 ( 693 PWs) bands (ev): -47.5468 -47.5468 -20.3143 -20.3143 -11.6027 -11.6027 -11.5018 -11.5018 3.5179 3.5179 15.0710 15.0710 17.0123 17.0123 17.2389 17.2389 18.7699 18.7699 21.3963 21.3963 21.6026 21.6026 22.3269 22.3269 23.3506 23.3506 k = 0.1528-0.0882 0.1247 ( 693 PWs) bands (ev): -47.5455 -47.5455 -20.3190 -20.3190 -11.6175 -11.6175 -11.5082 -11.5082 3.5674 3.5674 14.9287 14.9287 16.9772 16.9772 17.2084 17.2084 18.6983 18.6983 21.5234 21.5234 21.7248 21.7248 22.3656 22.3656 23.4047 23.4047 k = 0.1597-0.0922 0.1304 ( 693 PWs) bands (ev): -47.5440 -47.5440 -20.3239 -20.3239 -11.6326 -11.6326 -11.5149 -11.5149 3.6173 3.6173 14.7917 14.7917 16.9439 16.9439 17.1799 17.1799 18.6257 18.6257 21.6513 21.6513 21.8459 21.8459 22.4079 22.4079 23.4599 23.4599 k = 0.1667-0.0962 0.1361 ( 693 PWs) bands (ev): -47.5426 -47.5426 -20.3289 -20.3289 -11.6480 -11.6480 -11.5217 -11.5217 3.6673 3.6673 14.6604 14.6604 16.9127 16.9127 17.1534 17.1534 18.5524 18.5524 21.7800 21.7800 21.9647 21.9647 22.4548 22.4548 23.5164 23.5164 k = 0.1736-0.1002 0.1418 ( 693 PWs) bands (ev): -47.5411 -47.5411 -20.3340 -20.3340 -11.6637 -11.6637 -11.5287 -11.5287 3.7172 3.7172 14.5353 14.5353 16.8834 16.8834 17.1289 17.1289 18.4785 18.4785 21.9091 21.9091 22.0791 22.0791 22.5081 22.5081 23.5742 23.5742 k = 0.1806-0.1042 0.1474 ( 693 PWs) bands (ev): -47.5396 -47.5396 -20.3391 -20.3391 -11.6796 -11.6796 -11.5359 -11.5359 3.7667 3.7667 14.4164 14.4164 16.8562 16.8562 17.1064 17.1064 18.4043 18.4043 22.0385 22.0385 22.1866 22.1866 22.5702 22.5702 23.6335 23.6335 k = 0.1875-0.1083 0.1531 ( 693 PWs) bands (ev): -47.5380 -47.5380 -20.3445 -20.3445 -11.6957 -11.6957 -11.5432 -11.5432 3.8156 3.8156 14.3041 14.3041 16.8310 16.8310 17.0860 17.0860 18.3298 18.3298 22.1679 22.1679 22.2842 22.2842 22.6436 22.6436 23.6942 23.6942 k = 0.1944-0.1123 0.1588 ( 693 PWs) bands (ev): -47.5364 -47.5364 -20.3499 -20.3499 -11.7119 -11.7119 -11.5506 -11.5506 3.8635 3.8635 14.1990 14.1990 16.8079 16.8079 17.0677 17.0677 18.2554 18.2554 22.2969 22.2969 22.3697 22.3697 22.7302 22.7302 23.7566 23.7566 k = 0.2014-0.1163 0.1644 ( 693 PWs) bands (ev): -47.5348 -47.5348 -20.3553 -20.3553 -11.7282 -11.7282 -11.5581 -11.5581 3.9103 3.9103 14.1011 14.1011 16.7868 16.7868 17.0513 17.0513 18.1811 18.1811 22.4254 22.4254 22.4436 22.4436 22.8293 22.8293 23.8205 23.8205 k = 0.2083-0.1203 0.1701 ( 693 PWs) bands (ev): -47.5331 -47.5331 -20.3608 -20.3608 -11.7446 -11.7446 -11.5658 -11.5658 3.9557 3.9557 14.0106 14.0106 16.7676 16.7676 17.0370 17.0370 18.1070 18.1070 22.5081 22.5081 22.5531 22.5531 22.9382 22.9382 23.8862 23.8862 k = 0.2153-0.1243 0.1758 ( 693 PWs) bands (ev): -47.5315 -47.5315 -20.3664 -20.3664 -11.7610 -11.7610 -11.5735 -11.5735 3.9994 3.9994 13.9279 13.9279 16.7505 16.7505 17.0246 17.0246 18.0334 18.0334 22.5661 22.5661 22.6798 22.6798 23.0538 23.0538 23.9535 23.9535 k = 0.2222-0.1283 0.1814 ( 693 PWs) bands (ev): -47.5298 -47.5298 -20.3720 -20.3720 -11.7774 -11.7774 -11.5813 -11.5813 4.0412 4.0412 13.8531 13.8531 16.7354 16.7354 17.0142 17.0142 17.9604 17.9604 22.6201 22.6201 22.8051 22.8051 23.1735 23.1735 24.0224 24.0224 k = 0.2292-0.1323 0.1871 ( 697 PWs) bands (ev): -47.5282 -47.5282 -20.3778 -20.3778 -11.7938 -11.7938 -11.5893 -11.5893 4.0809 4.0809 13.7863 13.7863 16.7220 16.7220 17.0055 17.0055 17.8880 17.8880 22.6713 22.6713 22.9288 22.9288 23.2953 23.2953 24.0930 24.0930 k = 0.2361-0.1363 0.1928 ( 697 PWs) bands (ev): -47.5265 -47.5265 -20.3835 -20.3835 -11.8101 -11.8101 -11.5972 -11.5972 4.1183 4.1183 13.7277 13.7277 16.7107 16.7107 16.9988 16.9988 17.8165 17.8165 22.7211 22.7211 23.0507 23.0507 23.4179 23.4179 24.1653 24.1653 k = 0.2431-0.1403 0.1985 ( 713 PWs) bands (ev): -47.5249 -47.5249 -20.3897 -20.3897 -11.8269 -11.8269 -11.6054 -11.6054 4.1533 4.1533 13.6772 13.6772 16.7011 16.7011 16.9937 16.9937 17.7458 17.7458 22.7697 22.7697 23.1702 23.1702 23.5401 23.5401 24.2390 24.2390 k = 0.2500-0.1443 0.2041 ( 713 PWs) bands (ev): -47.5232 -47.5232 -20.3954 -20.3954 -11.8430 -11.8430 -11.6133 -11.6133 4.1855 4.1855 13.6353 13.6353 16.6935 16.6935 16.9905 16.9905 17.6762 17.6762 22.8178 22.8178 23.2877 23.2877 23.6618 23.6618 24.3144 24.3144 k = 0.2569-0.1483 0.2098 ( 713 PWs) bands (ev): -47.5215 -47.5215 -20.4010 -20.4010 -11.8589 -11.8589 -11.6212 -11.6212 4.2150 4.2150 13.6018 13.6018 16.6876 16.6876 16.9890 16.9890 17.6077 17.6077 22.8655 22.8655 23.4024 23.4024 23.7820 23.7820 24.3913 24.3913 k = 0.2639-0.1524 0.2155 ( 709 PWs) bands (ev): -47.5198 -47.5198 -20.4066 -20.4066 -11.8744 -11.8744 -11.6291 -11.6291 4.2416 4.2416 13.5767 13.5767 16.6835 16.6835 16.9890 16.9890 17.5405 17.5405 22.9129 22.9129 23.5144 23.5144 23.9004 23.9004 24.4698 24.4698 k = 0.2708-0.1564 0.2211 ( 709 PWs) bands (ev): -47.5181 -47.5181 -20.4122 -20.4122 -11.8899 -11.8899 -11.6370 -11.6370 4.2653 4.2653 13.5599 13.5599 16.6810 16.6810 16.9905 16.9905 17.4746 17.4746 22.9600 22.9600 23.6233 23.6233 24.0165 24.0165 24.5494 24.5494 k = 0.2778-0.1604 0.2268 ( 709 PWs) bands (ev): -47.5164 -47.5164 -20.4178 -20.4178 -11.9052 -11.9052 -11.6448 -11.6448 4.2859 4.2859 13.5512 13.5512 16.6802 16.6802 16.9934 16.9934 17.4102 17.4102 23.0070 23.0070 23.7289 23.7289 24.1299 24.1299 24.6303 24.6303 k = 0.2847-0.1644 0.2325 ( 709 PWs) bands (ev): -47.5147 -47.5147 -20.4233 -20.4233 -11.9202 -11.9202 -11.6526 -11.6526 4.3036 4.3036 13.5506 13.5506 16.6809 16.6809 16.9974 16.9974 17.3474 17.3474 23.0537 23.0537 23.8310 23.8310 24.2403 24.2403 24.7121 24.7121 k = 0.2917-0.1684 0.2381 ( 709 PWs) bands (ev): -47.5130 -47.5130 -20.4288 -20.4288 -11.9350 -11.9350 -11.6602 -11.6602 4.3183 4.3183 13.5579 13.5579 16.6831 16.6831 17.0025 17.0025 17.2865 17.2865 23.1001 23.1001 23.9296 23.9296 24.3475 24.3475 24.7949 24.7949 k = 0.2986-0.1724 0.2438 ( 709 PWs) bands (ev): -47.5114 -47.5114 -20.4342 -20.4342 -11.9494 -11.9494 -11.6678 -11.6678 4.3300 4.3300 13.5727 13.5727 16.6866 16.6866 17.0080 17.0080 17.2278 17.2278 23.1462 23.1462 24.0244 24.0244 24.4510 24.4510 24.8784 24.8784 k = 0.3056-0.1764 0.2495 ( 701 PWs) bands (ev): -47.5097 -47.5097 -20.4392 -20.4392 -11.9634 -11.9634 -11.6750 -11.6750 4.3389 4.3389 13.5950 13.5950 16.6916 16.6916 17.0133 17.0133 17.1724 17.1724 23.1920 23.1920 24.1153 24.1153 24.5508 24.5508 24.9625 24.9625 k = 0.3125-0.1804 0.2552 ( 701 PWs) bands (ev): -47.5081 -47.5081 -20.4444 -20.4444 -11.9771 -11.9771 -11.6823 -11.6823 4.3450 4.3450 13.6241 13.6241 16.6978 16.6978 17.0153 17.0153 17.1228 17.1228 23.2374 23.2374 24.2022 24.2022 24.6465 24.6465 25.0468 25.0468 k = 0.3194-0.1844 0.2608 ( 701 PWs) bands (ev): -47.5065 -47.5065 -20.4495 -20.4495 -11.9905 -11.9905 -11.6895 -11.6895 4.3486 4.3486 13.6599 13.6599 16.7052 16.7052 17.0054 17.0054 17.0877 17.0877 23.2822 23.2822 24.2851 24.2851 24.7379 24.7379 25.1314 25.1314 k = 0.3264-0.1884 0.2665 ( 697 PWs) bands (ev): -47.5050 -47.5050 -20.4544 -20.4544 -12.0033 -12.0033 -11.6965 -11.6965 4.3497 4.3497 13.7019 13.7019 16.7137 16.7137 16.9738 16.9738 17.0770 17.0770 23.3264 23.3264 24.3638 24.3638 24.8250 24.8250 25.2159 25.2159 k = 0.3333-0.1925 0.2722 ( 697 PWs) bands (ev): -47.5035 -47.5035 -20.4593 -20.4593 -12.0159 -12.0159 -11.7034 -11.7034 4.3485 4.3485 13.7495 13.7495 16.7233 16.7233 16.9299 16.9299 17.0811 17.0811 23.3699 23.3699 24.4383 24.4383 24.9075 24.9075 25.3002 25.3002 k = 0.3403-0.1965 0.2778 ( 693 PWs) bands (ev): -47.5020 -47.5020 -20.4639 -20.4639 -12.0280 -12.0280 -11.7101 -11.7101 4.3452 4.3452 13.8023 13.8023 16.7338 16.7338 16.8834 16.8834 17.0905 17.0905 23.4126 23.4126 24.5086 24.5086 24.9855 24.9855 25.3841 25.3841 k = 0.3472-0.2005 0.2835 ( 701 PWs) bands (ev): -47.5006 -47.5006 -20.4687 -20.4687 -12.0399 -12.0399 -11.7168 -11.7168 4.3401 4.3401 13.8597 13.8597 16.7451 16.7451 16.8370 16.8370 17.1021 17.1021 23.4543 23.4543 24.5743 24.5743 25.0585 25.0585 25.4673 25.4673 k = 0.3542-0.2045 0.2892 ( 701 PWs) bands (ev): -47.4992 -47.4992 -20.4732 -20.4732 -12.0513 -12.0513 -11.7232 -11.7232 4.3332 4.3332 13.9213 13.9213 16.7571 16.7571 16.7918 16.7918 17.1149 17.1149 23.4952 23.4952 24.6359 24.6359 25.1270 25.1270 25.5497 25.5497 k = 0.3611-0.2085 0.2948 ( 701 PWs) bands (ev): -47.4979 -47.4979 -20.4775 -20.4775 -12.0621 -12.0621 -11.7293 -11.7293 4.3249 4.3249 13.9864 13.9864 16.7482 16.7482 16.7699 16.7699 17.1285 17.1285 23.5350 23.5350 24.6931 24.6931 25.1907 25.1907 25.6311 25.6311 k = 0.3681-0.2125 0.3005 ( 701 PWs) bands (ev): -47.4966 -47.4966 -20.4816 -20.4816 -12.0725 -12.0725 -11.7352 -11.7352 4.3154 4.3154 14.0544 14.0544 16.7063 16.7063 16.7833 16.7833 17.1425 17.1425 23.5737 23.5737 24.7460 24.7460 25.2497 25.2497 25.7112 25.7112 k = 0.3750-0.2165 0.3062 ( 701 PWs) bands (ev): -47.4954 -47.4954 -20.4856 -20.4856 -12.0824 -12.0824 -11.7409 -11.7409 4.3049 4.3049 14.1246 14.1246 16.6662 16.6662 16.7971 16.7971 17.1568 17.1568 23.6111 23.6111 24.7946 24.7946 25.3042 25.3042 25.7898 25.7898 k = 0.3819-0.2205 0.3119 ( 700 PWs) bands (ev): -47.4942 -47.4942 -20.4894 -20.4894 -12.0918 -12.0918 -11.7463 -11.7463 4.2935 4.2935 14.1964 14.1964 16.6282 16.6282 16.8113 16.8113 17.1712 17.1712 23.6471 23.6471 24.8390 24.8390 25.3541 25.3541 25.8667 25.8667 k = 0.3889-0.2245 0.3175 ( 700 PWs) bands (ev): -47.4931 -47.4931 -20.4930 -20.4930 -12.1008 -12.1008 -11.7514 -11.7514 4.2816 4.2816 14.2692 14.2692 16.5921 16.5921 16.8258 16.8258 17.1856 17.1856 23.6817 23.6817 24.8793 24.8793 25.3996 25.3996 25.9415 25.9415 k = 0.3958-0.2285 0.3232 ( 700 PWs) bands (ev): -47.4920 -47.4920 -20.4964 -20.4964 -12.1092 -12.1092 -11.7563 -11.7563 4.2693 4.2693 14.3421 14.3421 16.5580 16.5580 16.8404 16.8404 17.1998 17.1998 23.7147 23.7147 24.9156 24.9156 25.4409 25.4409 26.0139 26.0139 k = 0.4028-0.2325 0.3289 ( 700 PWs) bands (ev): -47.4910 -47.4910 -20.4997 -20.4997 -12.1171 -12.1171 -11.7609 -11.7609 4.2569 4.2569 14.4145 14.4145 16.5261 16.5261 16.8551 16.8551 17.2137 17.2137 23.7461 23.7461 24.9482 24.9482 25.4782 25.4782 26.0835 26.0835 k = 0.4097-0.2366 0.3345 ( 700 PWs) bands (ev): -47.4900 -47.4900 -20.5027 -20.5027 -12.1245 -12.1245 -11.7653 -11.7653 4.2444 4.2444 14.4858 14.4858 16.4962 16.4962 16.8697 16.8697 17.2273 17.2273 23.7757 23.7757 24.9771 24.9771 25.5116 25.5116 26.1499 26.1499 k = 0.4167-0.2406 0.3402 ( 700 PWs) bands (ev): -47.4892 -47.4892 -20.5055 -20.5055 -12.1314 -12.1314 -11.7693 -11.7693 4.2321 4.2321 14.5552 14.5552 16.4685 16.4685 16.8841 16.8841 17.2403 17.2403 23.8035 23.8035 25.0025 25.0025 25.5413 25.5413 26.2128 26.2128 k = 0.4236-0.2446 0.3459 ( 708 PWs) bands (ev): -47.4884 -47.4884 -20.5084 -20.5084 -12.1381 -12.1381 -11.7731 -11.7731 4.2202 4.2202 14.6216 14.6216 16.4429 16.4429 16.8982 16.8982 17.2527 17.2527 23.8295 23.8295 25.0247 25.0247 25.5676 25.5676 26.2715 26.2715 k = 0.4306-0.2486 0.3515 ( 708 PWs) bands (ev): -47.4876 -47.4876 -20.5108 -20.5108 -12.1439 -12.1439 -11.7766 -11.7766 4.2088 4.2088 14.6851 14.6851 16.4194 16.4194 16.9118 16.9118 17.2644 17.2644 23.8534 23.8534 25.0439 25.0439 25.5908 25.5908 26.3260 26.3260 k = 0.4375-0.2526 0.3572 ( 708 PWs) bands (ev): -47.4870 -47.4870 -20.5130 -20.5130 -12.1491 -12.1491 -11.7797 -11.7797 4.1980 4.1980 14.7448 14.7448 16.3982 16.3982 16.9247 16.9247 17.2753 17.2753 23.8753 23.8753 25.0604 25.0604 25.6109 25.6109 26.3757 26.3757 k = 0.4444-0.2566 0.3629 ( 708 PWs) bands (ev): -47.4863 -47.4863 -20.5150 -20.5150 -12.1539 -12.1539 -11.7826 -11.7826 4.1880 4.1880 14.8001 14.8001 16.3792 16.3792 16.9369 16.9369 17.2853 17.2853 23.8951 23.8951 25.0744 25.0744 25.6283 25.6283 26.4203 26.4203 k = 0.4514-0.2606 0.3686 ( 708 PWs) bands (ev): -47.4858 -47.4858 -20.5167 -20.5167 -12.1580 -12.1580 -11.7851 -11.7851 4.1790 4.1790 14.8502 14.8502 16.3624 16.3624 16.9482 16.9482 17.2943 17.2943 23.9127 23.9127 25.0860 25.0860 25.6431 25.6431 26.4595 26.4595 k = 0.4583-0.2646 0.3742 ( 708 PWs) bands (ev): -47.4853 -47.4853 -20.5182 -20.5182 -12.1617 -12.1617 -11.7872 -11.7872 4.1709 4.1709 14.8948 14.8948 16.3478 16.3478 16.9583 16.9583 17.3023 17.3023 23.9280 23.9280 25.0956 25.0956 25.6555 25.6555 26.4933 26.4933 k = 0.4653-0.2686 0.3799 ( 700 PWs) bands (ev): -47.4848 -47.4848 -20.5192 -20.5192 -12.1646 -12.1646 -11.7888 -11.7888 4.1639 4.1639 14.9334 14.9334 16.3354 16.3354 16.9675 16.9675 17.3094 17.3094 23.9412 23.9412 25.1034 25.1034 25.6658 25.6658 26.5215 26.5215 k = 0.4722-0.2726 0.3856 ( 700 PWs) bands (ev): -47.4845 -47.4845 -20.5203 -20.5203 -12.1671 -12.1671 -11.7903 -11.7903 4.1581 4.1581 14.9655 14.9655 16.3253 16.3253 16.9750 16.9750 17.3150 17.3150 23.9520 23.9520 25.1094 25.1094 25.6739 25.6739 26.5443 26.5443 k = 0.4792-0.2766 0.3912 ( 692 PWs) bands (ev): -47.4842 -47.4842 -20.5209 -20.5209 -12.1689 -12.1689 -11.7913 -11.7913 4.1535 4.1535 14.9908 14.9908 16.3175 16.3175 16.9811 16.9811 17.3197 17.3197 23.9604 23.9604 25.1141 25.1141 25.6802 25.6802 26.5617 26.5617 k = 0.4861-0.2807 0.3969 ( 692 PWs) bands (ev): -47.4840 -47.4840 -20.5215 -20.5215 -12.1703 -12.1703 -11.7922 -11.7922 4.1502 4.1502 15.0091 15.0091 16.3119 16.3119 16.9855 16.9855 17.3229 17.3229 23.9664 23.9664 25.1172 25.1172 25.6846 25.6846 26.5740 26.5740 k = 0.4931-0.2847 0.4026 ( 692 PWs) bands (ev): -47.4839 -47.4839 -20.5218 -20.5218 -12.1711 -12.1711 -11.7927 -11.7927 4.1482 4.1482 15.0202 15.0202 16.3085 16.3085 16.9881 16.9881 17.3249 17.3249 23.9700 23.9700 25.1191 25.1191 25.6872 25.6872 26.5812 26.5812 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -47.4838 -47.4838 -20.5220 -20.5220 -12.1714 -12.1714 -11.7928 -11.7928 4.1475 4.1475 15.0239 15.0239 16.3073 16.3073 16.9890 16.9890 17.3255 17.3255 23.9712 23.9712 25.1197 25.1197 25.6880 25.6880 26.5836 26.5836 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -47.4838 -47.4838 -20.5220 -20.5220 -12.1714 -12.1714 -11.7928 -11.7928 4.1475 4.1475 15.0239 15.0239 16.3073 16.3073 16.9890 16.9890 17.3255 17.3255 23.9712 23.9712 25.1197 25.1197 25.6880 25.6880 26.5836 26.5836 k = 0.5000-0.2807 0.4139 ( 692 PWs) bands (ev): -47.4838 -47.4838 -20.5220 -20.5220 -12.1713 -12.1713 -11.7930 -11.7930 4.1487 4.1487 15.0231 15.0231 16.2990 16.2990 16.9918 16.9918 17.3270 17.3270 23.9773 23.9773 25.1181 25.1181 25.6860 25.6860 26.5855 26.5855 k = 0.5000-0.2726 0.4196 ( 696 PWs) bands (ev): -47.4839 -47.4839 -20.5221 -20.5221 -12.1710 -12.1710 -11.7937 -11.7937 4.1521 4.1521 15.0210 15.0210 16.2753 16.2753 16.9965 16.9965 17.3337 17.3337 23.9951 23.9951 25.1133 25.1133 25.6802 25.6802 26.5912 26.5912 k = 0.5000-0.2646 0.4253 ( 700 PWs) bands (ev): -47.4839 -47.4839 -20.5222 -20.5222 -12.1706 -12.1706 -11.7947 -11.7947 4.1578 4.1578 15.0174 15.0174 16.2395 16.2395 16.9938 16.9938 17.3523 17.3523 24.0244 24.0244 25.1049 25.1049 25.6708 25.6708 26.6005 26.6005 k = 0.5000-0.2566 0.4309 ( 704 PWs) bands (ev): -47.4839 -47.4839 -20.5224 -20.5224 -12.1699 -12.1699 -11.7961 -11.7961 4.1657 4.1657 15.0123 15.0123 16.1952 16.1952 16.9748 16.9748 17.3887 17.3887 24.0643 24.0643 25.0926 25.0926 25.6583 25.6583 26.6135 26.6135 k = 0.5000-0.2486 0.4366 ( 704 PWs) bands (ev): -47.4839 -47.4839 -20.5224 -20.5224 -12.1689 -12.1689 -11.7977 -11.7977 4.1758 4.1758 15.0059 15.0059 16.1457 16.1457 16.9362 16.9362 17.4442 17.4442 24.1135 24.1135 25.0758 25.0758 25.6435 25.6435 26.6298 26.6298 k = 0.5000-0.2406 0.4423 ( 704 PWs) bands (ev): -47.4839 -47.4839 -20.5224 -20.5224 -12.1677 -12.1677 -11.7997 -11.7997 4.1881 4.1881 14.9980 14.9980 16.0934 16.0934 16.8793 16.8793 17.5155 17.5155 24.1708 24.1708 25.0536 25.0536 25.6273 25.6273 26.6493 26.6493 k = 0.5000-0.2325 0.4479 ( 704 PWs) bands (ev): -47.4839 -47.4839 -20.5224 -20.5224 -12.1663 -12.1663 -11.8020 -11.8020 4.2024 4.2024 14.9888 14.9888 16.0399 16.0399 16.8076 16.8076 17.5990 17.5990 24.2347 24.2347 25.0253 25.0253 25.6107 25.6107 26.6716 26.6716 k = 0.5000-0.2245 0.4536 ( 708 PWs) bands (ev): -47.4840 -47.4840 -20.5226 -20.5226 -12.1647 -12.1647 -11.8047 -11.8047 4.2188 4.2188 14.9783 14.9783 15.9864 15.9864 16.7239 16.7239 17.6915 17.6915 24.3037 24.3037 24.9901 24.9901 25.5946 25.5946 26.6961 26.6961 k = 0.5000-0.2165 0.4593 ( 712 PWs) bands (ev): -47.4840 -47.4840 -20.5227 -20.5227 -12.1629 -12.1629 -11.8078 -11.8078 4.2370 4.2370 14.9664 14.9664 15.9336 15.9336 16.6305 16.6305 17.7911 17.7911 24.3759 24.3759 24.9473 24.9473 25.5800 25.5800 26.7222 26.7222 k = 0.5000-0.2085 0.4649 ( 712 PWs) bands (ev): -47.4840 -47.4840 -20.5228 -20.5228 -12.1609 -12.1609 -11.8111 -11.8111 4.2570 4.2570 14.9532 14.9532 15.8823 15.8823 16.5295 16.5295 17.8968 17.8968 24.4499 24.4499 24.8966 24.8966 25.5677 25.5677 26.7492 26.7492 k = 0.5000-0.2005 0.4706 ( 716 PWs) bands (ev): -47.4840 -47.4840 -20.5229 -20.5229 -12.1587 -12.1587 -11.8148 -11.8148 4.2787 4.2787 14.9389 14.9389 15.8329 15.8329 16.4225 16.4225 18.0073 18.0073 24.5235 24.5235 24.8384 24.8384 25.5583 25.5583 26.7761 26.7761 k = 0.5000-0.1925 0.4763 ( 716 PWs) bands (ev): -47.4840 -47.4840 -20.5229 -20.5229 -12.1563 -12.1563 -11.8186 -11.8186 4.3019 4.3019 14.9234 14.9234 15.7855 15.7855 16.3109 16.3109 18.1222 18.1222 24.5931 24.5931 24.7751 24.7751 25.5522 25.5522 26.8019 26.8019 k = 0.5000-0.1844 0.4820 ( 716 PWs) bands (ev): -47.4840 -47.4840 -20.5230 -20.5230 -12.1536 -12.1536 -11.8227 -11.8227 4.3265 4.3265 14.9068 14.9068 15.7403 15.7403 16.1959 16.1959 18.2410 18.2410 24.6366 24.6366 24.7279 24.7279 25.5494 25.5494 26.8257 26.8257 k = 0.5000-0.1764 0.4876 ( 710 PWs) bands (ev): -47.4840 -47.4840 -20.5228 -20.5228 -12.1507 -12.1507 -11.8268 -11.8268 4.3524 4.3524 14.8893 14.8893 15.6975 15.6975 16.0790 16.0790 18.3633 18.3633 24.5882 24.5882 24.7621 24.7621 25.5501 25.5501 26.8466 26.8466 k = 0.5000-0.1684 0.4933 ( 710 PWs) bands (ev): -47.4840 -47.4840 -20.5229 -20.5229 -12.1477 -12.1477 -11.8313 -11.8313 4.3794 4.3794 14.8708 14.8708 15.6569 15.6569 15.9610 15.9610 18.4888 18.4888 24.5022 24.5022 24.8228 24.8228 25.5543 25.5543 26.8636 26.8636 k = 0.5000-0.1604 0.4990 ( 708 PWs) bands (ev): -47.4839 -47.4839 -20.5229 -20.5229 -12.1445 -12.1445 -11.8360 -11.8360 4.4073 4.4073 14.8515 14.8515 15.6186 15.6186 15.8432 15.8432 18.6174 18.6174 24.4053 24.4053 24.8832 24.8832 25.5620 25.5620 26.8762 26.8762 k = 0.5000-0.1524 0.5046 ( 708 PWs) bands (ev): -47.4839 -47.4839 -20.5229 -20.5229 -12.1412 -12.1412 -11.8409 -11.8409 4.4358 4.4358 14.8314 14.8314 15.5822 15.5822 15.7269 15.7269 18.7488 18.7488 24.3009 24.3009 24.9400 24.9400 25.5734 25.5734 26.8839 26.8839 k = 0.5000-0.1443 0.5103 ( 708 PWs) bands (ev): -47.4839 -47.4839 -20.5230 -20.5230 -12.1378 -12.1378 -11.8460 -11.8460 4.4649 4.4649 14.8106 14.8106 15.5454 15.5454 15.6152 15.6152 18.8828 18.8828 24.1901 24.1901 24.9919 24.9919 25.5885 25.5885 26.8865 26.8865 k = 0.5000-0.1363 0.5160 ( 706 PWs) bands (ev): -47.4839 -47.4839 -20.5229 -20.5229 -12.1342 -12.1342 -11.8511 -11.8511 4.4943 4.4943 14.7891 14.7891 15.4839 15.4839 15.5332 15.5332 19.0194 19.0194 24.0737 24.0737 25.0387 25.0387 25.6074 25.6074 26.8841 26.8841 k = 0.5000-0.1283 0.5217 ( 706 PWs) bands (ev): -47.4839 -47.4839 -20.5230 -20.5230 -12.1305 -12.1305 -11.8564 -11.8564 4.5238 4.5238 14.7668 14.7668 15.3824 15.3824 15.4972 15.4972 19.1583 19.1583 23.9521 23.9521 25.0800 25.0800 25.6301 25.6301 26.8766 26.8766 k = 0.5000-0.1203 0.5273 ( 706 PWs) bands (ev): -47.4839 -47.4839 -20.5230 -20.5230 -12.1268 -12.1268 -11.8617 -11.8617 4.5531 4.5531 14.7436 14.7436 15.2794 15.2794 15.4693 15.4693 19.2997 19.2997 23.8258 23.8258 25.1159 25.1159 25.6564 25.6564 26.8643 26.8643 k = 0.5000-0.1123 0.5330 ( 706 PWs) bands (ev): -47.4839 -47.4839 -20.5231 -20.5231 -12.1229 -12.1229 -11.8671 -11.8671 4.5821 4.5821 14.7192 14.7192 15.1813 15.1813 15.4446 15.4446 19.4429 19.4429 23.6952 23.6952 25.1467 25.1467 25.6863 25.6863 26.8478 26.8478 k = 0.5000-0.1042 0.5387 ( 708 PWs) bands (ev): -47.4839 -47.4839 -20.5232 -20.5232 -12.1191 -12.1191 -11.8726 -11.8726 4.6105 4.6105 14.6930 14.6930 15.0898 15.0898 15.4222 15.4222 19.5881 19.5881 23.5607 23.5607 25.1728 25.1728 25.7192 25.7192 26.8273 26.8273 k = 0.5000-0.0962 0.5443 ( 708 PWs) bands (ev): -47.4839 -47.4839 -20.5232 -20.5232 -12.1152 -12.1152 -11.8779 -11.8779 4.6380 4.6380 14.6643 14.6643 15.0067 15.0067 15.4018 15.4018 19.7352 19.7352 23.4228 23.4228 25.1948 25.1948 25.7547 25.7547 26.8032 26.8032 k = 0.5000-0.0882 0.5500 ( 708 PWs) bands (ev): -47.4839 -47.4839 -20.5233 -20.5233 -12.1113 -12.1113 -11.8832 -11.8832 4.6644 4.6644 14.6320 14.6320 14.9336 14.9336 15.3834 15.3834 19.8839 19.8839 23.2816 23.2816 25.2132 25.2132 25.7924 25.7924 26.7761 26.7761 k = 0.5000-0.0802 0.5557 ( 708 PWs) bands (ev): -47.4839 -47.4839 -20.5233 -20.5233 -12.1075 -12.1075 -11.8883 -11.8883 4.6894 4.6894 14.5954 14.5954 14.8719 14.8719 15.3668 15.3668 20.0342 20.0342 23.1376 23.1376 25.2284 25.2284 25.8317 25.8317 26.7463 26.7463 k = 0.5000-0.0722 0.5613 ( 708 PWs) bands (ev): -47.4839 -47.4839 -20.5233 -20.5233 -12.1038 -12.1038 -11.8932 -11.8932 4.7130 4.7130 14.5546 14.5546 14.8221 14.8221 15.3519 15.3519 20.1860 20.1860 22.9910 22.9910 25.2411 25.2411 25.8721 25.8721 26.7142 26.7142 k = 0.5000-0.0642 0.5670 ( 712 PWs) bands (ev): -47.4839 -47.4839 -20.5235 -20.5235 -12.1003 -12.1003 -11.8980 -11.8980 4.7347 4.7347 14.5109 14.5109 14.7833 14.7833 15.3387 15.3387 20.3390 20.3390 22.8422 22.8422 25.2515 25.2515 25.9133 25.9133 26.6803 26.6803 k = 0.5000-0.0561 0.5727 ( 704 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0967 -12.0967 -11.9022 -11.9022 4.7544 4.7544 14.4668 14.4668 14.7538 14.7538 15.3274 15.3274 20.4931 20.4931 22.6915 22.6915 25.2602 25.2602 25.9548 25.9548 26.6452 26.6452 k = 0.5000-0.0481 0.5784 ( 704 PWs) bands (ev): -47.4838 -47.4838 -20.5233 -20.5233 -12.0936 -12.0936 -11.9061 -11.9061 4.7720 4.7720 14.4247 14.4247 14.7311 14.7311 15.3175 15.3175 20.6482 20.6482 22.5391 22.5391 25.2671 25.2671 25.9959 25.9959 26.6094 26.6094 k = 0.5000-0.0401 0.5840 ( 704 PWs) bands (ev): -47.4838 -47.4838 -20.5233 -20.5233 -12.0908 -12.0908 -11.9096 -11.9096 4.7872 4.7872 14.3866 14.3866 14.7138 14.7138 15.3092 15.3092 20.8041 20.8041 22.3853 22.3853 25.2727 25.2727 26.0361 26.0361 26.5735 26.5735 k = 0.5000-0.0321 0.5897 ( 704 PWs) bands (ev): -47.4838 -47.4838 -20.5233 -20.5233 -12.0885 -12.0885 -11.9126 -11.9126 4.7998 4.7998 14.3540 14.3540 14.7007 14.7007 15.3024 15.3024 20.9603 20.9603 22.2306 22.2306 25.2771 25.2771 26.0744 26.0744 26.5387 26.5387 k = 0.5000-0.0241 0.5954 ( 704 PWs) bands (ev): -47.4838 -47.4838 -20.5233 -20.5233 -12.0866 -12.0866 -11.9150 -11.9150 4.8098 4.8098 14.3278 14.3278 14.6910 14.6910 15.2972 15.2972 21.1167 21.1167 22.0755 22.0755 25.2804 25.2804 26.1095 26.1095 26.5063 26.5063 k = 0.5000-0.0160 0.6010 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0851 -12.0851 -11.9166 -11.9166 4.8170 4.8170 14.3088 14.3088 14.6844 14.6844 15.2934 15.2934 21.2722 21.2722 21.9208 21.9208 25.2827 25.2827 26.1389 26.1389 26.4788 26.4788 k = 0.5000-0.0080 0.6067 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0843 -12.0843 -11.9177 -11.9177 4.8213 4.8213 14.2972 14.2972 14.6805 14.6805 15.2912 15.2912 21.4230 21.4230 21.7705 21.7705 25.2840 25.2840 26.1593 26.1593 26.4594 26.4594 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0840 -12.0840 -11.9180 -11.9180 4.8228 4.8228 14.2933 14.2933 14.6792 14.6792 15.2904 15.2904 21.5251 21.5251 21.6685 21.6685 25.2845 25.2845 26.1667 26.1667 26.4524 26.4524 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0840 -12.0840 -11.9180 -11.9180 4.8228 4.8228 14.2933 14.2933 14.6792 14.6792 15.2904 15.2904 21.5251 21.5251 21.6685 21.6685 25.2845 25.2845 26.1667 26.1667 26.4524 26.4524 k = 0.4952 0.0083 0.6124 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0842 -12.0842 -11.9176 -11.9176 4.8225 4.8225 14.2919 14.2919 14.6811 14.6811 15.2908 15.2908 21.4660 21.4660 21.7279 21.7279 25.2837 25.2837 26.1642 26.1642 26.4573 26.4573 k = 0.4904 0.0167 0.6124 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5231 -20.5231 -12.0850 -12.0850 -11.9164 -11.9164 4.8218 4.8218 14.2877 14.2877 14.6869 14.6869 15.2918 15.2918 21.3668 21.3668 21.8282 21.8282 25.2815 25.2815 26.1585 26.1585 26.4702 26.4702 k = 0.4856 0.0250 0.6124 ( 700 PWs) bands (ev): -47.4839 -47.4839 -20.5230 -20.5230 -12.0863 -12.0863 -11.9144 -11.9144 4.8207 4.8207 14.2808 14.2808 14.6962 14.6962 15.2937 15.2937 21.2617 21.2617 21.9349 21.9349 25.2779 25.2779 26.1526 26.1526 26.4879 26.4879 k = 0.4808 0.0333 0.6124 ( 704 PWs) bands (ev): -47.4840 -47.4840 -20.5230 -20.5230 -12.0882 -12.0882 -11.9120 -11.9120 4.8192 4.8192 14.2713 14.2713 14.7087 14.7087 15.2966 15.2966 21.1553 21.1553 22.0436 22.0436 25.2728 25.2728 26.1483 26.1483 26.5085 26.5085 k = 0.4760 0.0416 0.6124 ( 704 PWs) bands (ev): -47.4840 -47.4840 -20.5228 -20.5228 -12.0903 -12.0903 -11.9087 -11.9087 4.8172 4.8172 14.2596 14.2596 14.7240 14.7240 15.3008 15.3008 21.0486 21.0486 22.1532 22.1532 25.2662 25.2662 26.1470 26.1470 26.5306 26.5306 k = 0.4712 0.0500 0.6124 ( 704 PWs) bands (ev): -47.4841 -47.4841 -20.5226 -20.5226 -12.0928 -12.0928 -11.9050 -11.9050 4.8150 4.8150 14.2461 14.2461 14.7414 14.7414 15.3066 15.3066 20.9423 20.9423 22.2632 22.2632 25.2578 25.2578 26.1494 26.1494 26.5534 26.5534 k = 0.4663 0.0583 0.6124 ( 704 PWs) bands (ev): -47.4842 -47.4842 -20.5223 -20.5223 -12.0956 -12.0956 -11.9009 -11.9009 4.8125 4.8125 14.2312 14.2312 14.7603 14.7603 15.3140 15.3140 20.8366 20.8366 22.3734 22.3734 25.2474 25.2474 26.1559 26.1559 26.5763 26.5763 k = 0.4615 0.0666 0.6124 ( 702 PWs) bands (ev): -47.4843 -47.4843 -20.5220 -20.5220 -12.0984 -12.0984 -11.8964 -11.8964 4.8097 4.8097 14.2152 14.2152 14.7801 14.7801 15.3233 15.3233 20.7320 20.7320 22.4836 22.4836 25.2347 25.2347 26.1665 26.1665 26.5991 26.5991 k = 0.4567 0.0749 0.6124 ( 706 PWs) bands (ev): -47.4844 -47.4844 -20.5219 -20.5219 -12.1017 -12.1017 -11.8918 -11.8918 4.8067 4.8067 14.1983 14.1983 14.8001 14.8001 15.3346 15.3346 20.6287 20.6287 22.5936 22.5936 25.2193 25.2193 26.1813 26.1813 26.6215 26.6215 k = 0.4519 0.0833 0.6124 ( 706 PWs) bands (ev): -47.4845 -47.4845 -20.5216 -20.5216 -12.1048 -12.1048 -11.8870 -11.8870 4.8035 4.8035 14.1811 14.1811 14.8199 14.8199 15.3482 15.3482 20.5271 20.5271 22.7034 22.7034 25.2008 25.2008 26.2001 26.2001 26.6437 26.6437 k = 0.4471 0.0916 0.6124 ( 706 PWs) bands (ev): -47.4846 -47.4846 -20.5213 -20.5213 -12.1079 -12.1079 -11.8822 -11.8822 4.8002 4.8002 14.1637 14.1637 14.8390 14.8390 15.3642 15.3642 20.4277 20.4277 22.8127 22.8127 25.1790 25.1790 26.2227 26.2227 26.6655 26.6655 k = 0.4423 0.0999 0.6124 ( 709 PWs) bands (ev): -47.4847 -47.4847 -20.5211 -20.5211 -12.1111 -12.1111 -11.8774 -11.8774 4.7969 4.7969 14.1464 14.1464 14.8570 14.8570 15.3824 15.3824 20.3308 20.3308 22.9215 22.9215 25.1536 25.1536 26.2485 26.2485 26.6871 26.6871 k = 0.4375 0.1083 0.6124 ( 709 PWs) bands (ev): -47.4848 -47.4848 -20.5208 -20.5208 -12.1141 -12.1141 -11.8727 -11.8727 4.7935 4.7935 14.1293 14.1293 14.8736 14.8736 15.4028 15.4028 20.2370 20.2370 23.0295 23.0295 25.1243 25.1243 26.2770 26.2770 26.7086 26.7086 k = 0.4327 0.1166 0.6124 ( 711 PWs) bands (ev): -47.4849 -47.4849 -20.5206 -20.5206 -12.1171 -12.1171 -11.8681 -11.8681 4.7902 4.7902 14.1127 14.1127 14.8885 14.8885 15.4251 15.4251 20.1467 20.1467 23.1366 23.1366 25.0910 25.0910 26.3073 26.3073 26.7301 26.7301 k = 0.4279 0.1249 0.6124 ( 707 PWs) bands (ev): -47.4850 -47.4850 -20.5202 -20.5202 -12.1199 -12.1199 -11.8635 -11.8635 4.7869 4.7869 14.0967 14.0967 14.9019 14.9019 15.4490 15.4490 20.0606 20.0606 23.2427 23.2427 25.0537 25.0537 26.3388 26.3388 26.7520 26.7520 k = 0.4231 0.1332 0.6124 ( 709 PWs) bands (ev): -47.4851 -47.4851 -20.5201 -20.5201 -12.1226 -12.1226 -11.8593 -11.8593 4.7837 4.7837 14.0816 14.0816 14.9134 14.9134 15.4738 15.4738 19.9790 19.9790 23.3474 23.3474 25.0122 25.0122 26.3704 26.3704 26.7740 26.7740 k = 0.4183 0.1416 0.6124 ( 709 PWs) bands (ev): -47.4852 -47.4852 -20.5198 -20.5198 -12.1250 -12.1250 -11.8554 -11.8554 4.7808 4.7808 14.0675 14.0675 14.9234 14.9234 15.4990 15.4990 19.9028 19.9028 23.4506 23.4506 24.9667 24.9667 26.4013 26.4013 26.7963 26.7963 k = 0.4135 0.1499 0.6124 ( 706 PWs) bands (ev): -47.4852 -47.4852 -20.5195 -20.5195 -12.1272 -12.1272 -11.8516 -11.8516 4.7780 4.7780 14.0545 14.0545 14.9319 14.9319 15.5242 15.5242 19.8324 19.8324 23.5519 23.5519 24.9173 24.9173 26.4304 26.4304 26.8190 26.8190 k = 0.4087 0.1582 0.6124 ( 706 PWs) bands (ev): -47.4853 -47.4853 -20.5193 -20.5193 -12.1292 -12.1292 -11.8484 -11.8484 4.7754 4.7754 14.0427 14.0427 14.9391 14.9391 15.5483 15.5483 19.7684 19.7684 23.6510 23.6510 24.8642 24.8642 26.4571 26.4571 26.8416 26.8416 k = 0.4038 0.1665 0.6124 ( 707 PWs) bands (ev): -47.4854 -47.4854 -20.5192 -20.5192 -12.1310 -12.1310 -11.8455 -11.8455 4.7731 4.7731 14.0323 14.0323 14.9450 14.9450 15.5709 15.5709 19.7114 19.7114 23.7475 23.7475 24.8078 24.8078 26.4807 26.4807 26.8637 26.8637 k = 0.3990 0.1749 0.6124 ( 707 PWs) bands (ev): -47.4854 -47.4854 -20.5190 -20.5190 -12.1325 -12.1325 -11.8431 -11.8431 4.7711 4.7711 14.0233 14.0233 14.9498 14.9498 15.5913 15.5913 19.6621 19.6621 23.8405 23.8405 24.7488 24.7488 26.5008 26.5008 26.8848 26.8848 k = 0.3942 0.1832 0.6124 ( 707 PWs) bands (ev): -47.4855 -47.4855 -20.5189 -20.5189 -12.1337 -12.1337 -11.8410 -11.8410 4.7695 4.7695 14.0159 14.0159 14.9535 14.9535 15.6088 15.6088 19.6209 19.6209 23.9290 23.9290 24.6882 24.6882 26.5173 26.5173 26.9037 26.9037 k = 0.3894 0.1915 0.6124 ( 704 PWs) bands (ev): -47.4855 -47.4855 -20.5187 -20.5187 -12.1347 -12.1347 -11.8393 -11.8393 4.7681 4.7681 14.0101 14.0101 14.9563 14.9563 15.6232 15.6232 19.5884 19.5884 24.0111 24.0111 24.6279 24.6279 26.5300 26.5300 26.9198 26.9198 k = 0.3846 0.1999 0.6124 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5187 -20.5187 -12.1354 -12.1354 -11.8381 -11.8381 4.7672 4.7672 14.0058 14.0058 14.9583 14.9583 15.6337 15.6337 19.5648 19.5648 24.0826 24.0826 24.5718 24.5718 26.5391 26.5391 26.9319 26.9319 k = 0.3798 0.2082 0.6124 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5186 -20.5186 -12.1358 -12.1358 -11.8374 -11.8374 4.7666 4.7666 14.0033 14.0033 14.9594 14.9594 15.6402 15.6402 19.5505 19.5505 24.1357 24.1357 24.5281 24.5281 26.5444 26.5444 26.9395 26.9395 k = 0.3750 0.2165 0.6124 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5186 -20.5186 -12.1360 -12.1360 -11.8372 -11.8372 4.7664 4.7664 14.0024 14.0024 14.9598 14.9598 15.6423 15.6423 19.5458 19.5458 24.1563 24.1563 24.5106 24.5106 26.5462 26.5462 26.9421 26.9421 k = 0.3750 0.2165 0.6124 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5186 -20.5186 -12.1360 -12.1360 -11.8372 -11.8372 4.7664 4.7664 14.0024 14.0024 14.9598 14.9598 15.6423 15.6423 19.5458 19.5458 24.1563 24.1563 24.5106 24.5106 26.5462 26.5462 26.9421 26.9421 k = 0.3701 0.2137 0.6043 ( 706 PWs) bands (ev): -47.4858 -47.4858 -20.5179 -20.5179 -12.1355 -12.1355 -11.8356 -11.8356 4.8055 4.8055 13.9059 13.9059 14.9412 14.9412 15.5714 15.5714 19.6992 19.6992 24.0883 24.0883 24.4370 24.4370 26.4984 26.4984 27.1119 27.1119 k = 0.3651 0.2108 0.5963 ( 706 PWs) bands (ev): -47.4861 -47.4861 -20.5171 -20.5171 -12.1352 -12.1352 -11.8333 -11.8333 4.8445 4.8445 13.8099 13.8099 14.9237 14.9237 15.5029 15.5029 19.8562 19.8562 24.0191 24.0191 24.3618 24.3618 26.4472 26.4472 27.2816 27.2816 k = 0.3602 0.2080 0.5882 ( 708 PWs) bands (ev): -47.4864 -47.4864 -20.5163 -20.5163 -12.1351 -12.1351 -11.8305 -11.8305 4.8830 4.8830 13.7148 13.7148 14.9071 14.9071 15.4371 15.4371 20.0166 20.0166 23.9486 23.9486 24.2851 24.2851 26.3929 26.3929 27.4504 27.4504 k = 0.3553 0.2051 0.5801 ( 710 PWs) bands (ev): -47.4868 -47.4868 -20.5154 -20.5154 -12.1351 -12.1351 -11.8271 -11.8271 4.9210 4.9210 13.6213 13.6213 14.8910 14.8910 15.3745 15.3745 20.1802 20.1802 23.8771 23.8771 24.2071 24.2071 26.3358 26.3358 27.6179 27.6179 k = 0.3503 0.2023 0.5721 ( 702 PWs) bands (ev): -47.4871 -47.4871 -20.5140 -20.5140 -12.1349 -12.1349 -11.8229 -11.8229 4.9583 4.9583 13.5298 13.5298 14.8753 14.8753 15.3155 15.3155 20.3469 20.3469 23.8045 23.8045 24.1280 24.1280 26.2762 26.2762 27.7834 27.7834 k = 0.3454 0.1994 0.5640 ( 702 PWs) bands (ev): -47.4875 -47.4875 -20.5128 -20.5128 -12.1349 -12.1349 -11.8184 -11.8184 4.9945 4.9945 13.4406 13.4406 14.8593 14.8593 15.2604 15.2604 20.5162 20.5162 23.7310 23.7310 24.0479 24.0479 26.2143 26.2143 27.9458 27.9458 k = 0.3405 0.1966 0.5560 ( 702 PWs) bands (ev): -47.4880 -47.4880 -20.5115 -20.5115 -12.1349 -12.1349 -11.8133 -11.8133 5.0295 5.0295 13.3542 13.3542 14.8426 14.8426 15.2099 15.2099 20.6879 20.6879 23.6564 23.6564 23.9670 23.9670 26.1504 26.1504 28.1046 28.1046 k = 0.3355 0.1937 0.5479 ( 702 PWs) bands (ev): -47.4885 -47.4885 -20.5101 -20.5101 -12.1348 -12.1348 -11.8078 -11.8078 5.0630 5.0630 13.2710 13.2710 14.8249 14.8249 15.1645 15.1645 20.8616 20.8616 23.5810 23.5810 23.8855 23.8855 26.0847 26.0847 28.2591 28.2591 k = 0.3306 0.1909 0.5399 ( 702 PWs) bands (ev): -47.4890 -47.4890 -20.5085 -20.5085 -12.1346 -12.1346 -11.8018 -11.8018 5.0949 5.0949 13.1912 13.1912 14.8057 14.8057 15.1248 15.1248 21.0369 21.0369 23.5048 23.5048 23.8035 23.8035 26.0173 26.0173 28.4086 28.4086 k = 0.3257 0.1880 0.5318 ( 702 PWs) bands (ev): -47.4895 -47.4895 -20.5068 -20.5068 -12.1341 -12.1341 -11.7954 -11.7954 5.1249 5.1249 13.1154 13.1154 14.7848 14.7848 15.0912 15.0912 21.2134 21.2134 23.4277 23.4277 23.7213 23.7213 25.9485 25.9485 28.5520 28.5520 k = 0.3207 0.1852 0.5237 ( 704 PWs) bands (ev): -47.4902 -47.4902 -20.5051 -20.5051 -12.1335 -12.1335 -11.7887 -11.7887 5.1527 5.1527 13.0436 13.0436 14.7620 14.7620 15.0639 15.0639 21.3904 21.3904 23.3498 23.3498 23.6391 23.6391 25.8785 25.8785 28.6887 28.6887 k = 0.3158 0.1823 0.5157 ( 700 PWs) bands (ev): -47.4908 -47.4908 -20.5030 -20.5030 -12.1324 -12.1324 -11.7815 -11.7815 5.1782 5.1782 12.9765 12.9765 14.7376 14.7376 15.0428 15.0428 21.5676 21.5676 23.2711 23.2711 23.5570 23.5570 25.8075 25.8075 28.8178 28.8178 k = 0.3109 0.1795 0.5076 ( 700 PWs) bands (ev): -47.4915 -47.4915 -20.5009 -20.5009 -12.1311 -12.1311 -11.7740 -11.7740 5.2011 5.2011 12.9141 12.9141 14.7121 14.7121 15.0275 15.0275 21.7439 21.7439 23.1917 23.1917 23.4753 23.4753 25.7356 25.7356 28.9383 28.9383 k = 0.3059 0.1766 0.4996 ( 700 PWs) bands (ev): -47.4922 -47.4922 -20.4987 -20.4987 -12.1295 -12.1295 -11.7663 -11.7663 5.2211 5.2211 12.8569 12.8569 14.6863 14.6863 15.0173 15.0173 21.9185 21.9185 23.1117 23.1117 23.3945 23.3945 25.6631 25.6631 29.0493 29.0493 k = 0.3010 0.1738 0.4915 ( 696 PWs) bands (ev): -47.4929 -47.4929 -20.4962 -20.4962 -12.1273 -12.1273 -11.7584 -11.7584 5.2382 5.2382 12.8050 12.8050 14.6608 14.6608 15.0119 15.0119 22.0903 22.0903 23.0310 23.0310 23.3149 23.3149 25.5900 25.5900 29.1499 29.1499 k = 0.2961 0.1709 0.4835 ( 696 PWs) bands (ev): -47.4937 -47.4937 -20.4937 -20.4937 -12.1248 -12.1248 -11.7502 -11.7502 5.2520 5.2520 12.7588 12.7588 14.6364 14.6364 15.0103 15.0103 22.2575 22.2575 22.9498 22.9498 23.2376 23.2376 25.5167 25.5167 29.2391 29.2391 k = 0.2911 0.1681 0.4754 ( 696 PWs) bands (ev): -47.4946 -47.4946 -20.4911 -20.4911 -12.1218 -12.1218 -11.7419 -11.7419 5.2625 5.2625 12.7185 12.7185 14.6135 14.6135 15.0122 15.0122 22.4173 22.4173 22.8684 22.8684 23.1643 23.1643 25.4433 25.4433 29.3160 29.3160 k = 0.2862 0.1652 0.4673 ( 696 PWs) bands (ev): -47.4955 -47.4955 -20.4882 -20.4882 -12.1184 -12.1184 -11.7334 -11.7334 5.2694 5.2694 12.6843 12.6843 14.5927 14.5927 15.0173 15.0173 22.5631 22.5631 22.7878 22.7878 23.0997 23.0997 25.3700 25.3700 29.3793 29.3793 k = 0.2812 0.1624 0.4593 ( 696 PWs) bands (ev): -47.4964 -47.4964 -20.4853 -20.4853 -12.1143 -12.1143 -11.7249 -11.7249 5.2726 5.2726 12.6564 12.6564 14.5743 14.5743 15.0253 15.0253 22.6649 22.6649 22.7233 22.7233 23.0573 23.0573 25.2969 25.2969 29.4277 29.4277 k = 0.2763 0.1595 0.4512 ( 696 PWs) bands (ev): -47.4974 -47.4974 -20.4822 -20.4822 -12.1098 -12.1098 -11.7162 -11.7162 5.2719 5.2719 12.6349 12.6349 14.5585 14.5585 15.0360 15.0360 22.6122 22.6122 22.7509 22.7509 23.0705 23.0705 25.2243 25.2243 29.4591 29.4591 k = 0.2714 0.1567 0.4432 ( 696 PWs) bands (ev): -47.4984 -47.4984 -20.4789 -20.4789 -12.1046 -12.1046 -11.7074 -11.7074 5.2674 5.2674 12.6201 12.6201 14.5457 14.5457 15.0492 15.0492 22.5309 22.5309 22.7320 22.7320 23.1509 23.1509 25.1524 25.1524 29.4687 29.4687 k = 0.2664 0.1538 0.4351 ( 696 PWs) bands (ev): -47.4995 -47.4995 -20.4755 -20.4755 -12.0989 -12.0989 -11.6986 -11.6986 5.2588 5.2588 12.6121 12.6121 14.5359 14.5359 15.0650 15.0650 22.4477 22.4477 22.6779 22.6779 23.2588 23.2588 25.0813 25.0813 29.4440 29.4440 k = 0.2615 0.1510 0.4270 ( 700 PWs) bands (ev): -47.5006 -47.5006 -20.4720 -20.4720 -12.0926 -12.0926 -11.6900 -11.6900 5.2463 5.2463 12.6108 12.6108 14.5292 14.5292 15.0831 15.0831 22.3640 22.3640 22.6115 22.6115 23.3685 23.3685 25.0111 25.0111 29.3607 29.3607 k = 0.2566 0.1481 0.4190 ( 700 PWs) bands (ev): -47.5018 -47.5018 -20.4683 -20.4683 -12.0856 -12.0856 -11.6812 -11.6812 5.2297 5.2297 12.6163 12.6163 14.5259 14.5259 15.1036 15.1036 22.2803 22.2803 22.5405 22.5405 23.4706 23.4706 24.9422 24.9422 29.2227 29.2227 k = 0.2516 0.1453 0.4109 ( 708 PWs) bands (ev): -47.5030 -47.5030 -20.4647 -20.4647 -12.0783 -12.0783 -11.6725 -11.6725 5.2092 5.2092 12.6287 12.6287 14.5258 14.5258 15.1263 15.1263 22.1964 22.1964 22.4675 22.4675 23.5604 23.5604 24.8745 24.8745 29.0649 29.0649 k = 0.2467 0.1424 0.4029 ( 706 PWs) bands (ev): -47.5042 -47.5042 -20.4606 -20.4606 -12.0701 -12.0701 -11.6637 -11.6637 5.1847 5.1847 12.6480 12.6480 14.5293 14.5293 15.1515 15.1515 22.1129 22.1129 22.3940 22.3940 23.6355 23.6355 24.8078 24.8078 28.9067 28.9067 k = 0.2418 0.1396 0.3948 ( 700 PWs) bands (ev): -47.5054 -47.5054 -20.4563 -20.4563 -12.0611 -12.0611 -11.6548 -11.6548 5.1563 5.1563 12.6741 12.6741 14.5363 14.5363 15.1790 15.1790 22.0297 22.0297 22.3204 22.3204 23.6943 23.6943 24.7420 24.7420 28.7542 28.7542 k = 0.2368 0.1367 0.3868 ( 700 PWs) bands (ev): -47.5067 -47.5067 -20.4520 -20.4520 -12.0517 -12.0517 -11.6461 -11.6461 5.1242 5.1242 12.7069 12.7069 14.5469 14.5469 15.2087 15.2087 21.9469 21.9469 22.2469 22.2469 23.7358 23.7358 24.6764 24.6764 28.6102 28.6102 k = 0.2319 0.1339 0.3787 ( 700 PWs) bands (ev): -47.5081 -47.5081 -20.4476 -20.4476 -12.0417 -12.0417 -11.6375 -11.6375 5.0885 5.0885 12.7463 12.7463 14.5610 14.5610 15.2405 15.2405 21.8647 21.8647 22.1738 22.1738 23.7598 23.7598 24.6100 24.6100 28.4756 28.4756 k = 0.2270 0.1310 0.3706 ( 704 PWs) bands (ev): -47.5095 -47.5095 -20.4432 -20.4432 -12.0311 -12.0311 -11.6290 -11.6290 5.0492 5.0492 12.7920 12.7920 14.5787 14.5787 15.2746 15.2746 21.7831 21.7831 22.1012 22.1012 23.7669 23.7669 24.5416 24.5416 28.3506 28.3506 k = 0.2220 0.1282 0.3626 ( 704 PWs) bands (ev): -47.5109 -47.5109 -20.4385 -20.4385 -12.0199 -12.0199 -11.6206 -11.6206 5.0068 5.0068 12.8443 12.8443 14.6000 14.6000 15.3109 15.3109 21.7021 21.7021 22.0290 22.0290 23.7583 23.7583 24.4702 24.4702 28.2346 28.2346 k = 0.2171 0.1253 0.3545 ( 704 PWs) bands (ev): -47.5123 -47.5123 -20.4338 -20.4338 -12.0080 -12.0080 -11.6124 -11.6124 4.9612 4.9612 12.9026 12.9026 14.6249 14.6249 15.3494 15.3494 21.6220 21.6220 21.9575 21.9575 23.7355 23.7355 24.3946 24.3946 28.1267 28.1267 k = 0.2122 0.1225 0.3465 ( 696 PWs) bands (ev): -47.5137 -47.5137 -20.4286 -20.4286 -11.9954 -11.9954 -11.6040 -11.6040 4.9127 4.9127 12.9671 12.9671 14.6537 14.6537 15.3901 15.3901 21.5429 21.5429 21.8867 21.8867 23.7001 23.7001 24.3143 24.3143 28.0256 28.0256 k = 0.2072 0.1196 0.3384 ( 696 PWs) bands (ev): -47.5151 -47.5151 -20.4237 -20.4237 -11.9824 -11.9824 -11.5960 -11.5960 4.8616 4.8616 13.0373 13.0373 14.6859 14.6859 15.4330 15.4330 21.4646 21.4646 21.8164 21.8164 23.6535 23.6535 24.2290 24.2290 27.9294 27.9294 k = 0.2023 0.1168 0.3304 ( 702 PWs) bands (ev): -47.5167 -47.5167 -20.4188 -20.4188 -11.9691 -11.9691 -11.5882 -11.5882 4.8080 4.8080 13.1131 13.1131 14.7217 14.7217 15.4780 15.4780 21.3874 21.3874 21.7467 21.7467 23.5965 23.5965 24.1394 24.1394 27.8362 27.8362 k = 0.1974 0.1140 0.3223 ( 702 PWs) bands (ev): -47.5182 -47.5182 -20.4137 -20.4137 -11.9550 -11.9550 -11.5804 -11.5804 4.7522 4.7522 13.1943 13.1943 14.7612 14.7612 15.5252 15.5252 21.3113 21.3113 21.6777 21.6777 23.5300 23.5300 24.0470 24.0470 27.7446 27.7446 k = 0.1924 0.1111 0.3142 ( 698 PWs) bands (ev): -47.5197 -47.5197 -20.4084 -20.4084 -11.9403 -11.9403 -11.5728 -11.5728 4.6944 4.6944 13.2808 13.2808 14.8043 14.8043 15.5745 15.5745 21.2364 21.2364 21.6094 21.6094 23.4540 23.4540 23.9536 23.9536 27.6528 27.6528 k = 0.1875 0.1083 0.3062 ( 698 PWs) bands (ev): -47.5213 -47.5213 -20.4031 -20.4031 -11.9253 -11.9253 -11.5654 -11.5654 4.6348 4.6348 13.3722 13.3722 14.8510 14.8510 15.6258 15.6258 21.1627 21.1627 21.5418 21.5418 23.3683 23.3683 23.8610 23.8610 27.5590 27.5590 k = 0.1826 0.1054 0.2981 ( 698 PWs) bands (ev): -47.5228 -47.5228 -20.3978 -20.3978 -11.9099 -11.9099 -11.5582 -11.5582 4.5737 4.5737 13.4684 13.4684 14.9012 14.9012 15.6792 15.6792 21.0903 21.0903 21.4749 21.4749 23.2728 23.2728 23.7711 23.7711 27.4620 27.4620 k = 0.1776 0.1026 0.2901 ( 706 PWs) bands (ev): -47.5245 -47.5245 -20.3927 -20.3927 -11.8942 -11.8942 -11.5514 -11.5514 4.5112 4.5112 13.5692 13.5692 14.9548 14.9548 15.7344 15.7344 21.0192 21.0192 21.4085 21.4085 23.1681 23.1681 23.6852 23.6852 27.3604 27.3604 k = 0.1727 0.0997 0.2820 ( 706 PWs) bands (ev): -47.5260 -47.5260 -20.3873 -20.3873 -11.8780 -11.8780 -11.5446 -11.5446 4.4477 4.4477 13.6743 13.6743 15.0121 15.0121 15.7917 15.7917 20.9495 20.9495 21.3430 21.3430 23.0550 23.0550 23.6038 23.6038 27.2535 27.2535 k = 0.1678 0.0969 0.2740 ( 706 PWs) bands (ev): -47.5276 -47.5276 -20.3819 -20.3819 -11.8614 -11.8614 -11.5379 -11.5379 4.3834 4.3834 13.7836 13.7836 15.0728 15.0728 15.8508 15.8508 20.8813 20.8813 21.2783 21.2783 22.9348 22.9348 23.5269 23.5269 27.1393 27.1393 k = 0.1628 0.0940 0.2659 ( 702 PWs) bands (ev): -47.5292 -47.5292 -20.3763 -20.3763 -11.8443 -11.8443 -11.5315 -11.5315 4.3184 4.3184 13.8968 13.8968 15.1371 15.1371 15.9117 15.9117 20.8146 20.8146 21.2143 21.2143 22.8094 22.8094 23.4540 23.4540 27.0145 27.0145 k = 0.1579 0.0912 0.2578 ( 698 PWs) bands (ev): -47.5307 -47.5307 -20.3708 -20.3708 -11.8270 -11.8270 -11.5252 -11.5252 4.2530 4.2530 14.0139 14.0139 15.2046 15.2046 15.9744 15.9744 20.7494 20.7494 21.1509 21.1509 22.6799 22.6799 23.3848 23.3848 26.8718 26.8718 k = 0.1530 0.0883 0.2498 ( 698 PWs) bands (ev): -47.5323 -47.5323 -20.3654 -20.3654 -11.8097 -11.8097 -11.5191 -11.5191 4.1874 4.1874 14.1343 14.1343 15.2755 15.2755 16.0387 16.0387 20.6858 20.6858 21.0883 21.0883 22.5480 22.5480 23.3186 23.3186 26.7053 26.7053 k = 0.1480 0.0855 0.2417 ( 698 PWs) bands (ev): -47.5338 -47.5338 -20.3600 -20.3600 -11.7922 -11.7922 -11.5133 -11.5133 4.1217 4.1217 14.2581 14.2581 15.3495 15.3495 16.1046 16.1046 20.6238 20.6238 21.0263 21.0263 22.4147 22.4147 23.2549 23.2549 26.5223 26.5223 k = 0.1431 0.0826 0.2337 ( 698 PWs) bands (ev): -47.5354 -47.5354 -20.3547 -20.3547 -11.7745 -11.7745 -11.5076 -11.5076 4.0563 4.0563 14.3849 14.3849 15.4268 15.4268 16.1720 16.1720 20.5634 20.5634 20.9650 20.9650 22.2811 22.2811 23.1936 23.1936 26.3313 26.3313 k = 0.1382 0.0798 0.2256 ( 698 PWs) bands (ev): -47.5369 -47.5369 -20.3494 -20.3494 -11.7568 -11.7568 -11.5022 -11.5022 3.9912 3.9912 14.5147 14.5147 15.5071 15.5071 16.2408 16.2408 20.5046 20.5046 20.9044 20.9044 22.1481 22.1481 23.1342 23.1342 26.1364 26.1364 k = 0.1332 0.0769 0.2176 ( 694 PWs) bands (ev): -47.5384 -47.5384 -20.3440 -20.3440 -11.7388 -11.7388 -11.4969 -11.4969 3.9266 3.9266 14.6472 14.6472 15.5904 15.5904 16.3109 16.3109 20.4475 20.4475 20.8445 20.8445 22.0163 22.0163 23.0765 23.0765 25.9393 25.9393 k = 0.1283 0.0741 0.2095 ( 694 PWs) bands (ev): -47.5399 -47.5399 -20.3388 -20.3388 -11.7211 -11.7211 -11.4919 -11.4919 3.8628 3.8628 14.7821 14.7821 15.6767 15.6767 16.3822 16.3822 20.3922 20.3922 20.7851 20.7851 21.8862 21.8862 23.0205 23.0205 25.7409 25.7409 k = 0.1234 0.0712 0.2014 ( 694 PWs) bands (ev): -47.5414 -47.5414 -20.3337 -20.3337 -11.7034 -11.7034 -11.4870 -11.4870 3.7999 3.7999 14.9193 14.9193 15.7657 15.7657 16.4545 16.4545 20.3385 20.3385 20.7264 20.7264 21.7583 21.7583 22.9659 22.9659 25.5420 25.5420 k = 0.1184 0.0684 0.1934 ( 694 PWs) bands (ev): -47.5428 -47.5428 -20.3287 -20.3287 -11.6858 -11.6858 -11.4824 -11.4824 3.7381 3.7381 15.0586 15.0586 15.8573 15.8573 16.5278 16.5278 20.2866 20.2866 20.6683 20.6683 21.6330 21.6330 22.9127 22.9127 25.3429 25.3429 k = 0.1135 0.0655 0.1853 ( 694 PWs) bands (ev): -47.5442 -47.5442 -20.3238 -20.3238 -11.6683 -11.6683 -11.4780 -11.4780 3.6774 3.6774 15.1997 15.1997 15.9514 15.9514 16.6018 16.6018 20.2365 20.2365 20.6108 20.6108 21.5107 21.5107 22.8608 22.8608 25.1443 25.1443 k = 0.1086 0.0627 0.1773 ( 694 PWs) bands (ev): -47.5456 -47.5456 -20.3190 -20.3190 -11.6512 -11.6512 -11.4737 -11.4737 3.6182 3.6182 15.3424 15.3424 16.0478 16.0478 16.6766 16.6766 20.1881 20.1881 20.5539 20.5539 21.3916 21.3916 22.8099 22.8099 24.9466 24.9466 k = 0.1036 0.0598 0.1692 ( 694 PWs) bands (ev): -47.5470 -47.5470 -20.3144 -20.3144 -11.6343 -11.6343 -11.4697 -11.4697 3.5605 3.5605 15.4863 15.4863 16.1465 16.1465 16.7517 16.7517 20.1415 20.1415 20.4975 20.4975 21.2759 21.2759 22.7601 22.7601 24.7499 24.7499 k = 0.0987 0.0570 0.1612 ( 694 PWs) bands (ev): -47.5483 -47.5483 -20.3098 -20.3098 -11.6177 -11.6177 -11.4658 -11.4658 3.5045 3.5045 15.6314 15.6314 16.2470 16.2470 16.8272 16.8272 20.0966 20.0966 20.4417 20.4417 21.1639 21.1639 22.7113 22.7113 24.5548 24.5548 k = 0.0938 0.0541 0.1531 ( 694 PWs) bands (ev): -47.5495 -47.5495 -20.3055 -20.3055 -11.6014 -11.6014 -11.4622 -11.4622 3.4503 3.4503 15.7771 15.7771 16.3493 16.3493 16.9027 16.9027 20.0534 20.0534 20.3864 20.3864 21.0557 21.0557 22.6632 22.6632 24.3618 24.3618 k = 0.0888 0.0513 0.1450 ( 699 PWs) bands (ev): -47.5508 -47.5508 -20.3014 -20.3014 -11.5858 -11.5858 -11.4589 -11.4589 3.3980 3.3980 15.9233 15.9233 16.4531 16.4531 16.9781 16.9781 20.0120 20.0120 20.3316 20.3316 20.9515 20.9515 22.6158 22.6158 24.1711 24.1711 k = 0.0839 0.0484 0.1370 ( 699 PWs) bands (ev): -47.5519 -47.5519 -20.2973 -20.2973 -11.5705 -11.5705 -11.4557 -11.4557 3.3478 3.3478 16.0696 16.0696 16.5579 16.5579 17.0532 17.0532 19.9723 19.9723 20.2774 20.2774 20.8513 20.8513 22.5690 22.5690 23.9834 23.9834 k = 0.0789 0.0456 0.1289 ( 699 PWs) bands (ev): -47.5531 -47.5531 -20.2935 -20.2935 -11.5557 -11.5557 -11.4527 -11.4527 3.2998 3.2998 16.2155 16.2155 16.6636 16.6636 17.1278 17.1278 19.9342 19.9342 20.2237 20.2237 20.7554 20.7554 22.5227 22.5227 23.7991 23.7991 k = 0.0740 0.0427 0.1209 ( 699 PWs) bands (ev): -47.5541 -47.5541 -20.2898 -20.2898 -11.5416 -11.5416 -11.4498 -11.4498 3.2541 3.2541 16.3607 16.3607 16.7697 16.7697 17.2016 17.2016 19.8978 19.8978 20.1706 20.1706 20.6637 20.6637 22.4768 22.4768 23.6187 23.6187 k = 0.0691 0.0399 0.1128 ( 697 PWs) bands (ev): -47.5551 -47.5551 -20.2862 -20.2862 -11.5280 -11.5280 -11.4472 -11.4472 3.2108 3.2108 16.5047 16.5047 16.8757 16.8757 17.2743 17.2743 19.8629 19.8629 20.1181 20.1181 20.5765 20.5765 22.4311 22.4311 23.4428 23.4428 k = 0.0641 0.0370 0.1047 ( 697 PWs) bands (ev): -47.5560 -47.5560 -20.2829 -20.2829 -11.5151 -11.5151 -11.4447 -11.4447 3.1700 3.1700 16.6466 16.6466 16.9813 16.9813 17.3458 17.3458 19.8296 19.8296 20.0661 20.0661 20.4937 20.4937 22.3856 22.3856 23.2721 23.2721 k = 0.0592 0.0342 0.0967 ( 705 PWs) bands (ev): -47.5570 -47.5570 -20.2801 -20.2801 -11.5032 -11.5032 -11.4427 -11.4427 3.1318 3.1318 16.7857 16.7857 17.0857 17.0857 17.4154 17.4154 19.7977 19.7977 20.0148 20.0148 20.4157 20.4157 22.3402 22.3402 23.1070 23.1070 k = 0.0543 0.0313 0.0886 ( 705 PWs) bands (ev): -47.5578 -47.5578 -20.2772 -20.2772 -11.4919 -11.4919 -11.4406 -11.4406 3.0964 3.0964 16.9214 16.9214 17.1885 17.1885 17.4834 17.4834 19.7673 19.7673 19.9642 19.9642 20.3425 20.3425 22.2952 22.2952 22.9487 22.9487 k = 0.0493 0.0285 0.0806 ( 705 PWs) bands (ev): -47.5586 -47.5586 -20.2746 -20.2746 -11.4815 -11.4815 -11.4388 -11.4388 3.0638 3.0638 17.0522 17.0522 17.2889 17.2889 17.5491 17.5491 19.7382 19.7382 19.9144 19.9144 20.2745 20.2745 22.2506 22.2506 22.7980 22.7980 k = 0.0444 0.0256 0.0725 ( 709 PWs) bands (ev): -47.5593 -47.5593 -20.2723 -20.2723 -11.4720 -11.4720 -11.4372 -11.4372 3.0340 3.0340 17.1768 17.1768 17.3865 17.3865 17.6122 17.6122 19.7106 19.7106 19.8653 19.8653 20.2119 20.2119 22.2069 22.2069 22.6557 22.6557 k = 0.0395 0.0228 0.0645 ( 709 PWs) bands (ev): -47.5599 -47.5599 -20.2701 -20.2701 -11.4633 -11.4633 -11.4356 -11.4356 3.0071 3.0071 17.2934 17.2934 17.4808 17.4808 17.6726 17.6726 19.6844 19.6844 19.8172 19.8172 20.1552 20.1552 22.1644 22.1644 22.5231 22.5231 k = 0.0345 0.0199 0.0564 ( 715 PWs) bands (ev): -47.5605 -47.5605 -20.2684 -20.2684 -11.4557 -11.4557 -11.4345 -11.4345 2.9833 2.9833 17.3996 17.3996 17.5711 17.5711 17.7295 17.7295 19.6597 19.6597 19.7703 19.7703 20.1046 20.1046 22.1239 22.1239 22.4015 22.4015 k = 0.0296 0.0171 0.0483 ( 719 PWs) bands (ev): -47.5611 -47.5611 -20.2668 -20.2668 -11.4491 -11.4491 -11.4333 -11.4333 2.9625 2.9625 17.4930 17.4930 17.6572 17.6572 17.7827 17.7827 19.6369 19.6369 19.7252 19.7252 20.0606 20.0606 22.0859 22.0859 22.2920 22.2920 k = 0.0247 0.0142 0.0403 ( 719 PWs) bands (ev): -47.5615 -47.5615 -20.2654 -20.2654 -11.4433 -11.4433 -11.4323 -11.4323 2.9448 2.9448 17.5719 17.5719 17.7378 17.7378 17.8313 17.8313 19.6164 19.6164 19.6828 19.6828 20.0234 20.0234 22.0517 22.0517 22.1960 22.1960 k = 0.0197 0.0114 0.0322 ( 719 PWs) bands (ev): -47.5618 -47.5618 -20.2642 -20.2642 -11.4385 -11.4385 -11.4315 -11.4315 2.9303 2.9303 17.6353 17.6353 17.8106 17.8106 17.8742 17.8742 19.5986 19.5986 19.6443 19.6443 19.9931 19.9931 22.0219 22.0219 22.1151 22.1151 k = 0.0148 0.0085 0.0242 ( 723 PWs) bands (ev): -47.5621 -47.5621 -20.2635 -20.2635 -11.4349 -11.4349 -11.4310 -11.4310 2.9190 2.9190 17.6833 17.6833 17.8722 17.8722 17.9098 17.9098 19.5838 19.5838 19.6112 19.6112 19.9696 19.9696 21.9977 21.9977 22.0504 22.0504 k = 0.0099 0.0057 0.0161 ( 725 PWs) bands (ev): -47.5623 -47.5623 -20.2629 -20.2629 -11.4324 -11.4324 -11.4306 -11.4306 2.9109 2.9109 17.7169 17.7169 17.9194 17.9194 17.9367 17.9367 19.5729 19.5729 19.5856 19.5856 19.9530 19.9530 21.9797 21.9797 22.0032 22.0032 k = 0.0049 0.0028 0.0081 ( 725 PWs) bands (ev): -47.5624 -47.5624 -20.2625 -20.2625 -11.4308 -11.4308 -11.4303 -11.4303 2.9060 2.9060 17.7367 17.7367 17.9491 17.9491 17.9536 17.9536 19.5661 19.5661 19.5694 19.5694 19.9431 19.9431 21.9686 21.9686 21.9745 21.9745 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -47.5625 -47.5625 -20.2623 -20.2623 -11.4302 -11.4302 -11.4302 -11.4302 2.9044 2.9044 17.7433 17.7433 17.9593 17.9593 17.9593 17.9593 19.5638 19.5638 19.5638 19.5638 19.9398 19.9398 21.9648 21.9648 21.9648 21.9648 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -47.5625 -47.5625 -20.2623 -20.2623 -11.4302 -11.4302 -11.4302 -11.4302 2.9044 2.9044 17.7433 17.7433 17.9593 17.9593 17.9593 17.9593 19.5638 19.5638 19.5638 19.5638 19.9398 19.9398 21.9648 21.9648 21.9648 21.9648 k = 0.0079 0.0046 0.0032 ( 725 PWs) bands (ev): -47.5624 -47.5624 -20.2625 -20.2625 -11.4308 -11.4308 -11.4303 -11.4303 2.9059 2.9059 17.7370 17.7370 17.9506 17.9506 17.9525 17.9525 19.5675 19.5675 19.5678 19.5678 19.9430 19.9430 21.9713 21.9713 21.9713 21.9713 k = 0.0159 0.0092 0.0065 ( 725 PWs) bands (ev): -47.5623 -47.5623 -20.2628 -20.2628 -11.4324 -11.4324 -11.4305 -11.4305 2.9107 2.9107 17.7179 17.7179 17.9252 17.9252 17.9325 17.9325 19.5785 19.5785 19.5793 19.5793 19.9524 19.9524 21.9908 21.9908 21.9908 21.9908 k = 0.0238 0.0137 0.0097 ( 722 PWs) bands (ev): -47.5621 -47.5621 -20.2634 -20.2634 -11.4350 -11.4350 -11.4308 -11.4308 2.9185 2.9185 17.6863 17.6863 17.8845 17.8845 17.8998 17.8998 19.5962 19.5962 19.5976 19.5976 19.9678 19.9678 22.0228 22.0228 22.0228 22.0228 k = 0.0317 0.0183 0.0130 ( 719 PWs) bands (ev): -47.5618 -47.5618 -20.2642 -20.2642 -11.4386 -11.4386 -11.4312 -11.4312 2.9295 2.9295 17.6420 17.6420 17.8308 17.8308 17.8557 17.8557 19.6201 19.6201 19.6216 19.6216 19.9887 19.9887 22.0671 22.0671 22.0672 22.0672 k = 0.0397 0.0229 0.0162 ( 719 PWs) bands (ev): -47.5615 -47.5615 -20.2653 -20.2653 -11.4435 -11.4435 -11.4317 -11.4317 2.9436 2.9436 17.5848 17.5848 17.7667 17.7667 17.8014 17.8014 19.6492 19.6492 19.6499 19.6499 20.0143 20.0143 22.1232 22.1232 22.1234 22.1234 k = 0.0476 0.0275 0.0194 ( 719 PWs) bands (ev): -47.5611 -47.5611 -20.2667 -20.2667 -11.4493 -11.4493 -11.4324 -11.4324 2.9608 2.9608 17.5146 17.5146 17.6952 17.6952 17.7381 17.7381 19.6817 19.6817 19.6828 19.6828 20.0442 20.0442 22.1903 22.1903 22.1907 22.1907 k = 0.0556 0.0321 0.0227 ( 718 PWs) bands (ev): -47.5606 -47.5606 -20.2683 -20.2683 -11.4562 -11.4562 -11.4332 -11.4332 2.9811 2.9811 17.4318 17.4318 17.6188 17.6188 17.6673 17.6673 19.7161 19.7161 19.7203 19.7203 20.0774 20.0774 22.2677 22.2677 22.2684 22.2684 k = 0.0635 0.0367 0.0259 ( 712 PWs) bands (ev): -47.5600 -47.5600 -20.2700 -20.2700 -11.4638 -11.4638 -11.4341 -11.4341 3.0043 3.0043 17.3372 17.3372 17.5392 17.5392 17.5902 17.5902 19.7526 19.7526 19.7610 19.7610 20.1135 20.1135 22.3548 22.3548 22.3560 22.3560 k = 0.0714 0.0412 0.0292 ( 706 PWs) bands (ev): -47.5594 -47.5594 -20.2719 -20.2719 -11.4725 -11.4725 -11.4350 -11.4350 3.0306 3.0306 17.2321 17.2321 17.4570 17.4570 17.5078 17.5078 19.7907 19.7907 19.8047 19.8047 20.1518 20.1518 22.4508 22.4508 22.4527 22.4527 k = 0.0794 0.0458 0.0324 ( 706 PWs) bands (ev): -47.5587 -47.5587 -20.2742 -20.2742 -11.4823 -11.4823 -11.4362 -11.4362 3.0597 3.0597 17.1180 17.1180 17.3727 17.3727 17.4211 17.4211 19.8301 19.8301 19.8510 19.8510 20.1919 20.1919 22.5549 22.5549 22.5575 22.5575 k = 0.0873 0.0504 0.0356 ( 706 PWs) bands (ev): -47.5580 -47.5580 -20.2768 -20.2768 -11.4930 -11.4930 -11.4374 -11.4374 3.0917 3.0917 16.9968 16.9968 17.2865 17.2865 17.3311 17.3311 19.8709 19.8709 19.8998 19.8998 20.2335 20.2335 22.6663 22.6663 22.6699 22.6699 k = 0.0952 0.0550 0.0389 ( 706 PWs) bands (ev): -47.5572 -47.5572 -20.2796 -20.2796 -11.5046 -11.5046 -11.4388 -11.4388 3.1264 3.1264 16.8698 16.8698 17.1984 17.1984 17.2384 17.2384 19.9127 19.9127 19.9508 19.9508 20.2765 20.2765 22.7844 22.7844 22.7891 22.7891 k = 0.1032 0.0596 0.0421 ( 706 PWs) bands (ev): -47.5563 -47.5563 -20.2826 -20.2826 -11.5170 -11.5170 -11.4403 -11.4403 3.1640 3.1640 16.7380 16.7380 17.1088 17.1088 17.1436 17.1436 19.9557 19.9557 20.0041 20.0041 20.3207 20.3207 22.9086 22.9086 22.9145 22.9145 k = 0.1111 0.0642 0.0454 ( 706 PWs) bands (ev): -47.5554 -47.5554 -20.2858 -20.2858 -11.5302 -11.5302 -11.4419 -11.4419 3.2042 3.2042 16.6025 16.6025 17.0179 17.0179 17.0473 17.0473 19.9997 19.9997 20.0596 20.0596 20.3663 20.3663 23.0383 23.0383 23.0456 23.0456 k = 0.1190 0.0687 0.0486 ( 706 PWs) bands (ev): -47.5544 -47.5544 -20.2891 -20.2891 -11.5442 -11.5442 -11.4435 -11.4435 3.2470 3.2470 16.4638 16.4638 16.9261 16.9261 16.9501 16.9501 20.0446 20.0446 20.1173 20.1173 20.4134 20.4134 23.1729 23.1729 23.1817 23.1817 k = 0.1270 0.0733 0.0518 ( 706 PWs) bands (ev): -47.5534 -47.5534 -20.2927 -20.2927 -11.5589 -11.5589 -11.4453 -11.4453 3.2923 3.2923 16.3228 16.3228 16.8336 16.8336 16.8522 16.8522 20.0905 20.0905 20.1772 20.1772 20.4622 20.4622 23.3120 23.3120 23.3224 23.3224 k = 0.1349 0.0779 0.0551 ( 700 PWs) bands (ev): -47.5523 -47.5523 -20.2963 -20.2963 -11.5741 -11.5741 -11.4469 -11.4469 3.3400 3.3400 16.1798 16.1798 16.7408 16.7408 16.7542 16.7542 20.1373 20.1373 20.2395 20.2395 20.5129 20.5129 23.4551 23.4551 23.4672 23.4672 k = 0.1429 0.0825 0.0583 ( 700 PWs) bands (ev): -47.5512 -47.5512 -20.3002 -20.3002 -11.5901 -11.5901 -11.4489 -11.4489 3.3901 3.3901 16.0353 16.0353 16.6479 16.6479 16.6561 16.6561 20.1848 20.1848 20.3039 20.3039 20.5657 20.5657 23.6017 23.6017 23.6156 23.6156 k = 0.1508 0.0871 0.0616 ( 703 PWs) bands (ev): -47.5500 -47.5500 -20.3044 -20.3044 -11.6067 -11.6067 -11.4509 -11.4509 3.4425 3.4425 15.8894 15.8894 16.5550 16.5550 16.5584 16.5584 20.2331 20.2331 20.3706 20.3706 20.6209 20.6209 23.7513 23.7513 23.7671 23.7671 k = 0.1587 0.0916 0.0648 ( 703 PWs) bands (ev): -47.5488 -47.5488 -20.3086 -20.3086 -11.6238 -11.6238 -11.4530 -11.4530 3.4971 3.4971 15.7430 15.7430 16.4612 16.4612 16.4626 16.4626 20.2822 20.2822 20.4395 20.4395 20.6787 20.6787 23.9038 23.9038 23.9216 23.9216 k = 0.1667 0.0962 0.0680 ( 703 PWs) bands (ev): -47.5476 -47.5476 -20.3130 -20.3130 -11.6413 -11.6413 -11.4551 -11.4551 3.5537 3.5537 15.5961 15.5961 16.3648 16.3648 16.3707 16.3707 20.3320 20.3320 20.5107 20.5107 20.7392 20.7392 24.0588 24.0588 24.0787 24.0787 k = 0.1746 0.1008 0.0713 ( 703 PWs) bands (ev): -47.5463 -47.5463 -20.3175 -20.3175 -11.6592 -11.6592 -11.4573 -11.4573 3.6123 3.6123 15.4490 15.4490 16.2694 16.2694 16.2796 16.2796 20.3827 20.3827 20.5841 20.5841 20.8025 20.8025 24.2159 24.2159 24.2379 24.2379 k = 0.1825 0.1054 0.0745 ( 703 PWs) bands (ev): -47.5449 -47.5449 -20.3222 -20.3222 -11.6775 -11.6775 -11.4596 -11.4596 3.6728 3.6728 15.3020 15.3020 16.1751 16.1751 16.1894 16.1894 20.4343 20.4343 20.6597 20.6597 20.8687 20.8687 24.3749 24.3749 24.3991 24.3991 k = 0.1905 0.1100 0.0778 ( 697 PWs) bands (ev): -47.5435 -47.5435 -20.3267 -20.3267 -11.6959 -11.6959 -11.4618 -11.4618 3.7350 3.7350 15.1552 15.1552 16.0821 16.0821 16.1004 16.1004 20.4870 20.4870 20.7375 20.7375 20.9380 20.9380 24.5355 24.5355 24.5619 24.5619 k = 0.1984 0.1146 0.0810 ( 697 PWs) bands (ev): -47.5422 -47.5422 -20.3315 -20.3315 -11.7148 -11.7148 -11.4642 -11.4642 3.7990 3.7990 15.0089 15.0089 15.9904 15.9904 16.0125 16.0125 20.5409 20.5409 20.8174 20.8174 21.0101 21.0101 24.6974 24.6974 24.7261 24.7261 k = 0.2063 0.1191 0.0842 ( 697 PWs) bands (ev): -47.5408 -47.5408 -20.3365 -20.3365 -11.7339 -11.7339 -11.4666 -11.4666 3.8644 3.8644 14.8632 14.8632 15.9003 15.9003 15.9260 15.9260 20.5960 20.5960 20.8993 20.8993 21.0851 21.0851 24.8603 24.8603 24.8915 24.8915 k = 0.2143 0.1237 0.0875 ( 697 PWs) bands (ev): -47.5393 -47.5393 -20.3415 -20.3415 -11.7531 -11.7531 -11.4690 -11.4690 3.9313 3.9313 14.7183 14.7183 15.8118 15.8118 15.8410 15.8410 20.6527 20.6527 20.9832 20.9832 21.1628 21.1628 25.0240 25.0240 25.0577 25.0577 k = 0.2222 0.1283 0.0907 ( 703 PWs) bands (ev): -47.5379 -47.5379 -20.3467 -20.3467 -11.7728 -11.7728 -11.4715 -11.4715 3.9995 3.9995 14.5744 14.5744 15.7250 15.7250 15.7575 15.7575 20.7109 20.7109 21.0690 21.0690 21.2432 21.2432 25.1883 25.1883 25.2246 25.2246 k = 0.2302 0.1329 0.0940 ( 703 PWs) bands (ev): -47.5365 -47.5365 -20.3518 -20.3518 -11.7922 -11.7922 -11.4739 -11.4739 4.0689 4.0689 14.4317 14.4317 15.6400 15.6400 15.6757 15.6757 20.7711 20.7711 21.1566 21.1566 21.3262 21.3262 25.3528 25.3528 25.3920 25.3920 k = 0.2381 0.1375 0.0972 ( 697 PWs) bands (ev): -47.5350 -47.5350 -20.3568 -20.3568 -11.8115 -11.8115 -11.4762 -11.4762 4.1395 4.1395 14.2903 14.2903 15.5570 15.5570 15.5957 15.5957 20.8334 20.8334 21.2459 21.2459 21.4116 21.4116 25.5173 25.5173 25.5597 25.5597 k = 0.2460 0.1420 0.1004 ( 697 PWs) bands (ev): -47.5335 -47.5335 -20.3619 -20.3619 -11.8309 -11.8309 -11.4787 -11.4787 4.2109 4.2109 14.1502 14.1502 15.4758 15.4758 15.5175 15.5175 20.8977 20.8977 21.3368 21.3368 21.4992 21.4992 25.6813 25.6813 25.7273 25.7273 k = 0.2540 0.1466 0.1037 ( 697 PWs) bands (ev): -47.5320 -47.5320 -20.3671 -20.3671 -11.8503 -11.8503 -11.4812 -11.4812 4.2832 4.2832 14.0118 14.0118 15.3967 15.3967 15.4412 15.4412 20.9644 20.9644 21.4292 21.4292 21.5890 21.5890 25.8445 25.8445 25.8946 25.8946 k = 0.2619 0.1512 0.1069 ( 697 PWs) bands (ev): -47.5306 -47.5306 -20.3723 -20.3723 -11.8694 -11.8694 -11.4837 -11.4837 4.3561 4.3561 13.8751 13.8751 15.3197 15.3197 15.3668 15.3668 21.0334 21.0334 21.5229 21.5229 21.6806 21.6806 26.0061 26.0061 26.0615 26.0615 k = 0.2698 0.1558 0.1102 ( 697 PWs) bands (ev): -47.5291 -47.5291 -20.3774 -20.3774 -11.8885 -11.8885 -11.4862 -11.4862 4.4296 4.4296 13.7402 13.7402 15.2448 15.2448 15.2945 15.2945 21.1050 21.1050 21.6178 21.6178 21.7741 21.7741 26.1650 26.1650 26.2278 26.2278 k = 0.2778 0.1604 0.1134 ( 697 PWs) bands (ev): -47.5277 -47.5277 -20.3826 -20.3826 -11.9073 -11.9073 -11.4885 -11.4885 4.5035 4.5035 13.6070 13.6070 15.1721 15.1721 15.2243 15.2243 21.1791 21.1791 21.7137 21.7137 21.8691 21.8691 26.3186 26.3186 26.3932 26.3932 k = 0.2857 0.1650 0.1166 ( 697 PWs) bands (ev): -47.5262 -47.5262 -20.3876 -20.3876 -11.9259 -11.9259 -11.4910 -11.4910 4.5776 4.5776 13.4762 13.4762 15.1016 15.1016 15.1562 15.1562 21.2559 21.2559 21.8104 21.8104 21.9654 21.9654 26.4610 26.4610 26.5575 26.5575 k = 0.2937 0.1695 0.1199 ( 697 PWs) bands (ev): -47.5248 -47.5248 -20.3927 -20.3927 -11.9441 -11.9441 -11.4934 -11.4934 4.6518 4.6518 13.3476 13.3476 15.0334 15.0334 15.0902 15.0902 21.3354 21.3354 21.9078 21.9078 22.0630 22.0630 26.5791 26.5791 26.7206 26.7206 k = 0.3016 0.1741 0.1231 ( 694 PWs) bands (ev): -47.5233 -47.5233 -20.3976 -20.3976 -11.9618 -11.9618 -11.4957 -11.4957 4.7260 4.7260 13.2215 13.2215 14.9675 14.9675 15.0264 15.0264 21.4178 21.4178 22.0055 22.0055 22.1614 22.1614 26.6634 26.6634 26.8819 26.8819 k = 0.3095 0.1787 0.1264 ( 697 PWs) bands (ev): -47.5220 -47.5220 -20.4026 -20.4026 -11.9794 -11.9794 -11.4981 -11.4981 4.8000 4.8000 13.0978 13.0978 14.9038 14.9038 14.9648 14.9648 21.5028 21.5028 22.1035 22.1035 22.2606 22.2606 26.7210 26.7210 27.0244 27.0244 k = 0.3175 0.1833 0.1296 ( 697 PWs) bands (ev): -47.5206 -47.5206 -20.4074 -20.4074 -11.9965 -11.9965 -11.5004 -11.5004 4.8735 4.8735 12.9769 12.9769 14.8426 14.8426 14.9056 14.9056 21.5906 21.5906 22.2014 22.2014 22.3602 22.3602 26.7608 26.7608 27.1725 27.1725 k = 0.3254 0.1879 0.1328 ( 697 PWs) bands (ev): -47.5193 -47.5193 -20.4121 -20.4121 -12.0131 -12.0131 -11.5026 -11.5026 4.9465 4.9465 12.8588 12.8588 14.7839 14.7839 14.8486 14.8486 21.6811 21.6811 22.2991 22.2991 22.4600 22.4600 26.7865 26.7865 27.3219 27.3219 k = 0.3333 0.1925 0.1361 ( 697 PWs) bands (ev): -47.5180 -47.5180 -20.4166 -20.4166 -12.0292 -12.0292 -11.5048 -11.5048 5.0188 5.0188 12.7437 12.7437 14.7275 14.7275 14.7941 14.7941 21.7743 21.7743 22.3962 22.3962 22.5598 22.5598 26.7994 26.7994 27.4705 27.4705 k = 0.3413 0.1970 0.1393 ( 697 PWs) bands (ev): -47.5167 -47.5167 -20.4211 -20.4211 -12.0448 -12.0448 -11.5069 -11.5069 5.0900 5.0900 12.6317 12.6317 14.6736 14.6736 14.7419 14.7419 21.8701 21.8701 22.4924 22.4924 22.6591 22.6591 26.8000 26.8000 27.6174 27.6174 k = 0.3492 0.2016 0.1426 ( 697 PWs) bands (ev): -47.5155 -47.5155 -20.4254 -20.4254 -12.0598 -12.0598 -11.5090 -11.5090 5.1602 5.1602 12.5231 12.5231 14.6222 14.6222 14.6921 14.6921 21.9685 21.9685 22.5874 22.5874 22.7579 22.7579 26.7885 26.7885 27.7619 27.7619 k = 0.3571 0.2062 0.1458 ( 694 PWs) bands (ev): -47.5143 -47.5143 -20.4295 -20.4295 -12.0741 -12.0741 -11.5109 -11.5109 5.2290 5.2290 12.4181 12.4181 14.5734 14.5734 14.6447 14.6447 22.0693 22.0693 22.6810 22.6810 22.8556 22.8556 26.7652 26.7652 27.9038 27.9038 k = 0.3651 0.2108 0.1490 ( 694 PWs) bands (ev): -47.5132 -47.5132 -20.4335 -20.4335 -12.0879 -12.0879 -11.5128 -11.5128 5.2962 5.2962 12.3168 12.3168 14.5270 14.5270 14.5998 14.5998 22.1723 22.1723 22.7727 22.7727 22.9521 22.9521 26.7304 26.7304 28.0423 28.0423 k = 0.3730 0.2154 0.1523 ( 697 PWs) bands (ev): -47.5121 -47.5121 -20.4374 -20.4374 -12.1012 -12.1012 -11.5146 -11.5146 5.3615 5.3615 12.2192 12.2192 14.4832 14.4832 14.5573 14.5573 22.2773 22.2773 22.8623 22.8623 23.0470 23.0470 26.6845 26.6845 28.1773 28.1773 k = 0.3810 0.2199 0.1555 ( 697 PWs) bands (ev): -47.5111 -47.5111 -20.4410 -20.4410 -12.1137 -12.1137 -11.5163 -11.5163 5.4248 5.4248 12.1259 12.1259 14.4420 14.4420 14.5173 14.5173 22.3841 22.3841 22.9492 22.9492 23.1398 23.1398 26.6284 26.6284 28.3083 28.3083 k = 0.3889 0.2245 0.1588 ( 709 PWs) bands (ev): -47.5102 -47.5102 -20.4449 -20.4449 -12.1258 -12.1258 -11.5183 -11.5183 5.4858 5.4858 12.0369 12.0369 14.4032 14.4032 14.4797 14.4797 22.4922 22.4922 23.0330 23.0330 23.2302 23.2302 26.5626 26.5626 28.4350 28.4350 k = 0.3968 0.2291 0.1620 ( 715 PWs) bands (ev): -47.5094 -47.5094 -20.4484 -20.4484 -12.1371 -12.1371 -11.5200 -11.5200 5.5442 5.5442 11.9525 11.9525 14.3671 14.3671 14.4447 14.4447 22.6014 22.6014 23.1136 23.1136 23.3181 23.3181 26.4881 26.4881 28.5568 28.5568 k = 0.4048 0.2337 0.1652 ( 709 PWs) bands (ev): -47.5085 -47.5085 -20.4512 -20.4512 -12.1472 -12.1472 -11.5213 -11.5213 5.5998 5.5998 11.8730 11.8730 14.3338 14.3338 14.4124 14.4124 22.7111 22.7111 23.1906 23.1906 23.4032 23.4032 26.4061 26.4061 28.6737 28.6737 k = 0.4127 0.2383 0.1685 ( 709 PWs) bands (ev): -47.5077 -47.5077 -20.4541 -20.4541 -12.1568 -12.1568 -11.5227 -11.5227 5.6524 5.6524 11.7986 11.7986 14.3030 14.3030 14.3825 14.3825 22.8206 22.8206 23.2633 23.2633 23.4851 23.4851 26.3174 26.3174 28.7850 28.7850 k = 0.4206 0.2429 0.1717 ( 709 PWs) bands (ev): -47.5069 -47.5069 -20.4567 -20.4567 -12.1656 -12.1656 -11.5239 -11.5239 5.7015 5.7015 11.7296 11.7296 14.2749 14.2749 14.3552 14.3552 22.9290 22.9290 23.3314 23.3314 23.5636 23.5636 26.2234 26.2234 28.8901 28.8901 k = 0.4286 0.2474 0.1750 ( 709 PWs) bands (ev): -47.5063 -47.5063 -20.4591 -20.4591 -12.1737 -12.1737 -11.5250 -11.5250 5.7470 5.7470 11.6661 11.6661 14.2494 14.2494 14.3305 14.3305 23.0353 23.0353 23.3946 23.3946 23.6386 23.6386 26.1256 26.1256 28.9885 28.9885 k = 0.4365 0.2520 0.1782 ( 709 PWs) bands (ev): -47.5056 -47.5056 -20.4613 -20.4613 -12.1809 -12.1809 -11.5261 -11.5261 5.7886 5.7886 11.6085 11.6085 14.2265 14.2265 14.3083 14.3083 23.1382 23.1382 23.4524 23.4524 23.7101 23.7101 26.0256 26.0256 29.0796 29.0796 k = 0.4444 0.2566 0.1814 ( 709 PWs) bands (ev): -47.5051 -47.5051 -20.4632 -20.4632 -12.1873 -12.1873 -11.5270 -11.5270 5.8260 5.8260 11.5570 11.5570 14.2064 14.2064 14.2887 14.2887 23.2358 23.2358 23.5043 23.5043 23.7780 23.7780 25.9253 25.9253 29.1627 29.1627 k = 0.4524 0.2612 0.1847 ( 709 PWs) bands (ev): -47.5046 -47.5046 -20.4649 -20.4649 -12.1929 -12.1929 -11.5277 -11.5277 5.8590 5.8590 11.5118 11.5118 14.1889 14.1889 14.2717 14.2717 23.3262 23.3262 23.5502 23.5502 23.8422 23.8422 25.8269 25.8269 29.2370 29.2370 k = 0.4603 0.2658 0.1879 ( 709 PWs) bands (ev): -47.5042 -47.5042 -20.4663 -20.4663 -12.1976 -12.1976 -11.5284 -11.5284 5.8874 5.8874 11.4731 11.4731 14.1741 14.1741 14.2574 14.2574 23.4072 23.4072 23.5896 23.5896 23.9026 23.9026 25.7330 25.7330 29.3018 29.3018 k = 0.4683 0.2703 0.1912 ( 703 PWs) bands (ev): -47.5039 -47.5039 -20.4673 -20.4673 -12.2014 -12.2014 -11.5287 -11.5287 5.9109 5.9109 11.4412 11.4412 14.1620 14.1620 14.2456 14.2456 23.4765 23.4765 23.6224 23.6224 23.9583 23.9583 25.6470 25.6470 29.3564 29.3564 k = 0.4762 0.2749 0.1944 ( 703 PWs) bands (ev): -47.5036 -47.5036 -20.4683 -20.4683 -12.2044 -12.2044 -11.5291 -11.5291 5.9294 5.9294 11.4162 11.4162 14.1525 14.1525 14.2365 14.2365 23.5320 23.5320 23.6481 23.6481 24.0072 24.0072 25.5727 25.5727 29.3997 29.3997 k = 0.4841 0.2795 0.1976 ( 700 PWs) bands (ev): -47.5034 -47.5034 -20.4688 -20.4688 -12.2065 -12.2065 -11.5293 -11.5293 5.9427 5.9427 11.3982 11.3982 14.1459 14.1459 14.2300 14.2300 23.5724 23.5724 23.6666 23.6666 24.0464 24.0464 25.5146 25.5146 29.4311 29.4311 k = 0.4921 0.2841 0.2009 ( 700 PWs) bands (ev): -47.5033 -47.5033 -20.4692 -20.4692 -12.2078 -12.2078 -11.5295 -11.5295 5.9507 5.9507 11.3874 11.3874 14.1419 14.1419 14.2261 14.2261 23.5968 23.5968 23.6777 23.6777 24.0721 24.0721 25.4773 25.4773 29.4502 29.4502 k = 0.5000 0.2887 0.2041 ( 700 PWs) bands (ev): -47.5032 -47.5032 -20.4693 -20.4693 -12.2083 -12.2083 -11.5296 -11.5296 5.9534 5.9534 11.3838 11.3838 14.1405 14.1405 14.2248 14.2248 23.6050 23.6050 23.6814 23.6814 24.0812 24.0812 25.4644 25.4644 29.4567 29.4567 k = 0.5000 0.2887 0.2041 ( 700 PWs) bands (ev): -47.5032 -47.5032 -20.4693 -20.4693 -12.2083 -12.2083 -11.5296 -11.5296 5.9534 5.9534 11.3838 11.3838 14.1405 14.1405 14.2248 14.2248 23.6050 23.6050 23.6814 23.6814 24.0812 24.0812 25.4644 25.4644 29.4567 29.4567 k = 0.5028 0.2805 0.2088 ( 703 PWs) bands (ev): -47.5033 -47.5033 -20.4695 -20.4695 -12.2082 -12.2082 -11.5301 -11.5301 5.9521 5.9521 11.3859 11.3859 14.1415 14.1415 14.2259 14.2259 23.6016 23.6016 23.6769 23.6769 24.0771 24.0771 25.4765 25.4765 29.4546 29.4546 k = 0.5057 0.2723 0.2134 ( 707 PWs) bands (ev): -47.5032 -47.5032 -20.4698 -20.4698 -12.2081 -12.2081 -11.5313 -11.5313 5.9484 5.9484 11.3925 11.3925 14.1443 14.1443 14.2292 14.2292 23.5896 23.5896 23.6651 23.6651 24.0658 24.0658 25.5119 25.5119 29.4487 29.4487 k = 0.5085 0.2641 0.2180 ( 707 PWs) bands (ev): -47.5031 -47.5031 -20.4700 -20.4700 -12.2077 -12.2077 -11.5330 -11.5330 5.9422 5.9422 11.4034 11.4034 14.1492 14.1492 14.2348 14.2348 23.5643 23.5643 23.6513 23.6513 24.0496 24.0496 25.5680 25.5680 29.4391 29.4391 k = 0.5114 0.2559 0.2227 ( 707 PWs) bands (ev): -47.5030 -47.5030 -20.4704 -20.4704 -12.2071 -12.2071 -11.5355 -11.5355 5.9336 5.9336 11.4186 11.4186 14.1560 14.1560 14.2426 14.2426 23.5220 23.5220 23.6395 23.6395 24.0310 24.0310 25.6415 25.6415 29.4259 29.4259 k = 0.5142 0.2477 0.2273 ( 709 PWs) bands (ev): -47.5029 -47.5029 -20.4708 -20.4708 -12.2065 -12.2065 -11.5387 -11.5387 5.9226 5.9226 11.4380 11.4380 14.1647 14.1647 14.2526 14.2526 23.4642 23.4642 23.6299 23.6299 24.0118 24.0118 25.7290 25.7290 29.4090 29.4090 k = 0.5170 0.2395 0.2320 ( 709 PWs) bands (ev): -47.5027 -47.5027 -20.4714 -20.4714 -12.2056 -12.2056 -11.5425 -11.5425 5.9092 5.9092 11.4617 11.4617 14.1751 14.1751 14.2649 14.2649 23.3940 23.3940 23.6212 23.6212 23.9933 23.9933 25.8272 25.8272 29.3889 29.3889 k = 0.5199 0.2313 0.2366 ( 709 PWs) bands (ev): -47.5024 -47.5024 -20.4720 -20.4720 -12.2046 -12.2046 -11.5469 -11.5469 5.8936 5.8936 11.4895 11.4895 14.1873 14.1873 14.2793 14.2793 23.3145 23.3145 23.6126 23.6126 23.9760 23.9760 25.9333 25.9333 29.3658 29.3658 k = 0.5227 0.2231 0.2412 ( 707 PWs) bands (ev): -47.5021 -47.5021 -20.4726 -20.4726 -12.2034 -12.2034 -11.5519 -11.5519 5.8759 5.8759 11.5214 11.5214 14.2011 14.2011 14.2958 14.2958 23.2280 23.2280 23.6035 23.6035 23.9598 23.9598 26.0451 26.0451 29.3402 29.3402 k = 0.5256 0.2149 0.2459 ( 703 PWs) bands (ev): -47.5018 -47.5018 -20.4733 -20.4733 -12.2020 -12.2020 -11.5575 -11.5575 5.8561 5.8561 11.5573 11.5573 14.2165 14.2165 14.3144 14.3144 23.1364 23.1364 23.5939 23.5939 23.9450 23.9450 26.1604 26.1604 29.3124 29.3124 k = 0.5284 0.2067 0.2505 ( 701 PWs) bands (ev): -47.5015 -47.5015 -20.4741 -20.4741 -12.2005 -12.2005 -11.5637 -11.5637 5.8344 5.8344 11.5971 11.5971 14.2333 14.2333 14.3350 14.3350 23.0407 23.0407 23.5839 23.5839 23.9314 23.9314 26.2772 26.2772 29.2828 29.2828 k = 0.5312 0.1985 0.2552 ( 705 PWs) bands (ev): -47.5011 -47.5011 -20.4752 -20.4752 -12.1989 -12.1989 -11.5707 -11.5707 5.8108 5.8108 11.6406 11.6406 14.2514 14.2514 14.3575 14.3575 22.9423 22.9423 23.5733 23.5733 23.9191 23.9191 26.3937 26.3937 29.2512 29.2512 k = 0.5341 0.1903 0.2598 ( 703 PWs) bands (ev): -47.5007 -47.5007 -20.4762 -20.4762 -12.1972 -12.1972 -11.5781 -11.5781 5.7855 5.7855 11.6878 11.6878 14.2709 14.2709 14.3818 14.3818 22.8416 22.8416 23.5625 23.5625 23.9083 23.9083 26.5080 26.5080 29.2177 29.2177 k = 0.5369 0.1821 0.2644 ( 705 PWs) bands (ev): -47.5003 -47.5003 -20.4774 -20.4774 -12.1953 -12.1953 -11.5860 -11.5860 5.7585 5.7585 11.7385 11.7385 14.2914 14.2914 14.4079 14.4079 22.7394 22.7394 23.5517 23.5517 23.8988 23.8988 26.6181 26.6181 29.1816 29.1816 k = 0.5398 0.1739 0.2691 ( 703 PWs) bands (ev): -47.4999 -47.4999 -20.4786 -20.4786 -12.1933 -12.1933 -11.5943 -11.5943 5.7301 5.7301 11.7927 11.7927 14.3131 14.3131 14.4357 14.4357 22.6360 22.6360 23.5412 23.5412 23.8910 23.8910 26.7218 26.7218 29.1425 29.1425 k = 0.5426 0.1657 0.2737 ( 703 PWs) bands (ev): -47.4994 -47.4994 -20.4799 -20.4799 -12.1912 -12.1912 -11.6031 -11.6031 5.7003 5.7003 11.8501 11.8501 14.3357 14.3357 14.4650 14.4650 22.5316 22.5316 23.5312 23.5312 23.8847 23.8847 26.8170 26.8170 29.1001 29.1001 k = 0.5455 0.1575 0.2784 ( 703 PWs) bands (ev): -47.4989 -47.4989 -20.4812 -20.4812 -12.1890 -12.1890 -11.6123 -11.6123 5.6694 5.6694 11.9105 11.9105 14.3591 14.3591 14.4958 14.4958 22.4265 22.4265 23.5222 23.5222 23.8801 23.8801 26.9013 26.9013 29.0548 29.0548 k = 0.5483 0.1493 0.2830 ( 703 PWs) bands (ev): -47.4984 -47.4984 -20.4826 -20.4826 -12.1866 -12.1866 -11.6219 -11.6219 5.6373 5.6373 11.9740 11.9740 14.3833 14.3833 14.5280 14.5280 22.3207 22.3207 23.5145 23.5145 23.8772 23.8772 26.9728 26.9728 29.0065 29.0065 k = 0.5511 0.1411 0.2876 ( 703 PWs) bands (ev): -47.4979 -47.4979 -20.4840 -20.4840 -12.1842 -12.1842 -11.6318 -11.6318 5.6043 5.6043 12.0401 12.0401 14.4081 14.4081 14.5615 14.5615 22.2144 22.2144 23.5083 23.5083 23.8761 23.8761 27.0296 27.0296 28.9557 28.9557 k = 0.5540 0.1329 0.2923 ( 700 PWs) bands (ev): -47.4973 -47.4973 -20.4854 -20.4854 -12.1816 -12.1816 -11.6418 -11.6418 5.5705 5.5705 12.1089 12.1089 14.4335 14.4335 14.5962 14.5962 22.1078 22.1078 23.5041 23.5041 23.8768 23.8768 27.0709 27.0709 28.9023 28.9023 k = 0.5568 0.1247 0.2969 ( 702 PWs) bands (ev): -47.4967 -47.4967 -20.4870 -20.4870 -12.1791 -12.1791 -11.6522 -11.6522 5.5359 5.5359 12.1801 12.1801 14.4592 14.4592 14.6320 14.6320 22.0007 22.0007 23.5021 23.5021 23.8793 23.8793 27.0963 27.0963 28.8466 28.8466 k = 0.5597 0.1165 0.3015 ( 701 PWs) bands (ev): -47.4962 -47.4962 -20.4886 -20.4886 -12.1764 -12.1764 -11.6628 -11.6628 5.5008 5.5008 12.2534 12.2534 14.4852 14.4852 14.6689 14.6689 21.8934 21.8934 23.5026 23.5026 23.8837 23.8837 27.1065 27.1065 28.7886 28.7886 k = 0.5625 0.1083 0.3062 ( 701 PWs) bands (ev): -47.4956 -47.4956 -20.4902 -20.4902 -12.1737 -12.1737 -11.6735 -11.6735 5.4653 5.4653 12.3288 12.3288 14.5114 14.5114 14.7068 14.7068 21.7858 21.7858 23.5058 23.5058 23.8901 23.8901 27.1027 27.1027 28.7284 28.7284 k = 0.5653 0.1001 0.3108 ( 701 PWs) bands (ev): -47.4950 -47.4950 -20.4918 -20.4918 -12.1709 -12.1709 -11.6842 -11.6842 5.4294 5.4294 12.4059 12.4059 14.5376 14.5376 14.7455 14.7455 21.6781 21.6781 23.5118 23.5118 23.8984 23.8984 27.0867 27.0867 28.6661 28.6661 k = 0.5682 0.0919 0.3155 ( 703 PWs) bands (ev): -47.4944 -47.4944 -20.4935 -20.4935 -12.1681 -12.1681 -11.6951 -11.6951 5.3933 5.3933 12.4846 12.4846 14.5637 14.5637 14.7850 14.7850 21.5702 21.5702 23.5207 23.5207 23.9086 23.9086 27.0605 27.0605 28.6017 28.6017 k = 0.5710 0.0837 0.3201 ( 699 PWs) bands (ev): -47.4938 -47.4938 -20.4950 -20.4950 -12.1653 -12.1653 -11.7057 -11.7057 5.3572 5.3572 12.5646 12.5646 14.5897 14.5897 14.8254 14.8254 21.4624 21.4624 23.5327 23.5327 23.9210 23.9210 27.0261 27.0261 28.5354 28.5354 k = 0.5739 0.0754 0.3247 ( 700 PWs) bands (ev): -47.4932 -47.4932 -20.4967 -20.4967 -12.1625 -12.1625 -11.7165 -11.7165 5.3210 5.3210 12.6457 12.6457 14.6154 14.6154 14.8664 14.8664 21.3546 21.3546 23.5478 23.5478 23.9355 23.9355 26.9853 26.9853 28.4671 28.4671 k = 0.5767 0.0672 0.3294 ( 700 PWs) bands (ev): -47.4926 -47.4926 -20.4983 -20.4983 -12.1597 -12.1597 -11.7271 -11.7271 5.2850 5.2850 12.7277 12.7277 14.6408 14.6408 14.9080 14.9080 21.2470 21.2470 23.5659 23.5659 23.9520 23.9520 26.9402 26.9402 28.3969 28.3969 k = 0.5795 0.0590 0.3340 ( 702 PWs) bands (ev): -47.4921 -47.4921 -20.5000 -20.5000 -12.1570 -12.1570 -11.7376 -11.7376 5.2491 5.2491 12.8103 12.8103 14.6657 14.6657 14.9501 14.9501 21.1395 21.1395 23.5870 23.5870 23.9706 23.9706 26.8921 26.8921 28.3248 28.3248 k = 0.5824 0.0508 0.3387 ( 702 PWs) bands (ev): -47.4915 -47.4915 -20.5016 -20.5016 -12.1544 -12.1544 -11.7477 -11.7477 5.2136 5.2136 12.8932 12.8932 14.6901 14.6901 14.9927 14.9927 21.0324 21.0324 23.6109 23.6109 23.9914 23.9914 26.8426 26.8426 28.2509 28.2509 k = 0.5852 0.0426 0.3433 ( 702 PWs) bands (ev): -47.4909 -47.4909 -20.5032 -20.5032 -12.1518 -12.1518 -11.7576 -11.7576 5.1785 5.1785 12.9761 12.9761 14.7140 14.7140 15.0357 15.0357 20.9258 20.9258 23.6375 23.6375 24.0143 24.0143 26.7929 26.7929 28.1751 28.1751 k = 0.5881 0.0344 0.3479 ( 702 PWs) bands (ev): -47.4904 -47.4904 -20.5048 -20.5048 -12.1493 -12.1493 -11.7671 -11.7671 5.1439 5.1439 13.0589 13.0589 14.7372 14.7372 15.0791 15.0791 20.8198 20.8198 23.6667 23.6667 24.0393 24.0393 26.7442 26.7442 28.0976 28.0976 k = 0.5909 0.0262 0.3526 ( 702 PWs) bands (ev): -47.4898 -47.4898 -20.5063 -20.5063 -12.1470 -12.1470 -11.7762 -11.7762 5.1098 5.1098 13.1413 13.1413 14.7597 14.7597 15.1227 15.1227 20.7144 20.7144 23.6980 23.6980 24.0664 24.0664 26.6975 26.6975 28.0183 28.0183 k = 0.5938 0.0180 0.3572 ( 702 PWs) bands (ev): -47.4893 -47.4893 -20.5077 -20.5077 -12.1448 -12.1448 -11.7849 -11.7849 5.0764 5.0764 13.2230 13.2230 14.7814 14.7814 15.1666 15.1666 20.6098 20.6098 23.7314 23.7314 24.0955 24.0955 26.6537 26.6537 27.9372 27.9372 k = 0.5966 0.0098 0.3619 ( 703 PWs) bands (ev): -47.4888 -47.4888 -20.5092 -20.5092 -12.1429 -12.1429 -11.7930 -11.7930 5.0437 5.0437 13.3037 13.3037 14.8023 14.8023 15.2105 15.2105 20.5062 20.5062 23.7666 23.7666 24.1266 24.1266 26.6138 26.6138 27.8545 27.8545 k = 0.5994 0.0016 0.3665 ( 701 PWs) bands (ev): -47.4883 -47.4883 -20.5104 -20.5104 -12.1411 -12.1411 -11.8004 -11.8004 5.0117 5.0117 13.3831 13.3831 14.8224 14.8224 15.2546 15.2546 20.4036 20.4036 23.8032 23.8032 24.1594 24.1594 26.5785 26.5785 27.7700 27.7700 k = 0.6023-0.0066 0.3711 ( 701 PWs) bands (ev): -47.4879 -47.4879 -20.5117 -20.5117 -12.1396 -12.1396 -11.8074 -11.8074 4.9806 4.9806 13.4611 13.4611 14.8416 14.8416 15.2985 15.2985 20.3021 20.3021 23.8410 23.8410 24.1940 24.1940 26.5485 26.5485 27.6840 27.6840 k = 0.6051-0.0148 0.3758 ( 701 PWs) bands (ev): -47.4875 -47.4875 -20.5129 -20.5129 -12.1383 -12.1383 -11.8136 -11.8136 4.9503 4.9503 13.5374 13.5374 14.8598 14.8598 15.3424 15.3424 20.2020 20.2020 23.8797 23.8797 24.2301 24.2301 26.5243 26.5243 27.5963 27.5963 k = 0.6080-0.0230 0.3804 ( 703 PWs) bands (ev): -47.4871 -47.4871 -20.5141 -20.5141 -12.1373 -12.1373 -11.8192 -11.8192 4.9210 4.9210 13.6116 13.6116 14.8770 14.8770 15.3862 15.3862 20.1032 20.1032 23.9190 23.9190 24.2676 24.2676 26.5066 26.5066 27.5070 27.5070 k = 0.6108-0.0312 0.3851 ( 701 PWs) bands (ev): -47.4867 -47.4867 -20.5150 -20.5150 -12.1365 -12.1365 -11.8240 -11.8240 4.8926 4.8926 13.6837 13.6837 14.8933 14.8933 15.4297 15.4297 20.0060 20.0060 23.9587 23.9587 24.3062 24.3062 26.4957 26.4957 27.4163 27.4163 k = 0.6136-0.0394 0.3897 ( 703 PWs) bands (ev): -47.4864 -47.4864 -20.5160 -20.5160 -12.1360 -12.1360 -11.8282 -11.8282 4.8653 4.8653 13.7533 13.7533 14.9086 14.9086 15.4730 15.4730 19.9103 19.9103 23.9985 23.9985 24.3458 24.3458 26.4918 26.4918 27.3240 27.3240 k = 0.6165-0.0476 0.3943 ( 705 PWs) bands (ev): -47.4862 -47.4862 -20.5169 -20.5169 -12.1357 -12.1357 -11.8316 -11.8316 4.8390 4.8390 13.8202 13.8202 14.9228 14.9228 15.5159 15.5159 19.8164 19.8164 24.0383 24.0383 24.3863 24.3863 26.4951 26.4951 27.2303 27.2303 k = 0.6193-0.0558 0.3990 ( 704 PWs) bands (ev): -47.4859 -47.4859 -20.5175 -20.5175 -12.1355 -12.1355 -11.8342 -11.8342 4.8137 4.8137 13.8842 13.8842 14.9361 14.9361 15.5585 15.5585 19.7242 19.7242 24.0780 24.0780 24.4273 24.4273 26.5055 26.5055 27.1354 27.1354 k = 0.6222-0.0640 0.4036 ( 706 PWs) bands (ev): -47.4857 -47.4857 -20.5182 -20.5182 -12.1357 -12.1357 -11.8361 -11.8361 4.7895 4.7895 13.9450 13.9450 14.9483 14.9483 15.6006 15.6006 19.6340 19.6340 24.1173 24.1173 24.4688 24.4688 26.5227 26.5227 27.0393 27.0393 k = 0.6250-0.0722 0.4082 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5186 -20.5186 -12.1360 -12.1360 -11.8372 -11.8372 4.7664 4.7664 14.0024 14.0024 14.9598 14.9598 15.6423 15.6423 19.5458 19.5458 24.1563 24.1563 24.5106 24.5106 26.5462 26.5462 26.9421 26.9421 k = 0.6250-0.0722 0.4082 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5186 -20.5186 -12.1360 -12.1360 -11.8372 -11.8372 4.7664 4.7664 14.0024 14.0024 14.9598 14.9598 15.6423 15.6423 19.5458 19.5458 24.1563 24.1563 24.5106 24.5106 26.5462 26.5462 26.9421 26.9421 k = 0.6202-0.0694 0.4161 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5186 -20.5186 -12.1358 -12.1358 -11.8374 -11.8374 4.7666 4.7666 14.0033 14.0033 14.9594 14.9594 15.6402 15.6402 19.5505 19.5505 24.1357 24.1357 24.5281 24.5281 26.5444 26.5444 26.9395 26.9395 k = 0.6154-0.0666 0.4240 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5187 -20.5187 -12.1354 -12.1354 -11.8381 -11.8381 4.7672 4.7672 14.0058 14.0058 14.9583 14.9583 15.6337 15.6337 19.5648 19.5648 24.0826 24.0826 24.5718 24.5718 26.5391 26.5391 26.9319 26.9319 k = 0.6106-0.0638 0.4318 ( 704 PWs) bands (ev): -47.4855 -47.4855 -20.5187 -20.5187 -12.1347 -12.1347 -11.8393 -11.8393 4.7681 4.7681 14.0101 14.0101 14.9563 14.9563 15.6232 15.6232 19.5884 19.5884 24.0111 24.0111 24.6279 24.6279 26.5300 26.5300 26.9198 26.9198 k = 0.6058-0.0611 0.4397 ( 707 PWs) bands (ev): -47.4855 -47.4855 -20.5189 -20.5189 -12.1337 -12.1337 -11.8410 -11.8410 4.7695 4.7695 14.0159 14.0159 14.9535 14.9535 15.6088 15.6088 19.6209 19.6209 23.9290 23.9290 24.6882 24.6882 26.5173 26.5173 26.9037 26.9037 k = 0.6010-0.0583 0.4475 ( 707 PWs) bands (ev): -47.4854 -47.4854 -20.5190 -20.5190 -12.1325 -12.1325 -11.8431 -11.8431 4.7711 4.7711 14.0233 14.0233 14.9498 14.9498 15.5913 15.5913 19.6621 19.6621 23.8405 23.8405 24.7488 24.7488 26.5008 26.5008 26.8848 26.8848 k = 0.5962-0.0555 0.4554 ( 707 PWs) bands (ev): -47.4854 -47.4854 -20.5192 -20.5192 -12.1310 -12.1310 -11.8455 -11.8455 4.7731 4.7731 14.0323 14.0323 14.9450 14.9450 15.5709 15.5709 19.7114 19.7114 23.7475 23.7475 24.8078 24.8078 26.4807 26.4807 26.8637 26.8637 k = 0.5913-0.0527 0.4632 ( 706 PWs) bands (ev): -47.4853 -47.4853 -20.5193 -20.5193 -12.1292 -12.1292 -11.8484 -11.8484 4.7754 4.7754 14.0427 14.0427 14.9391 14.9391 15.5483 15.5483 19.7684 19.7684 23.6510 23.6510 24.8642 24.8642 26.4571 26.4571 26.8416 26.8416 k = 0.5865-0.0500 0.4711 ( 706 PWs) bands (ev): -47.4852 -47.4852 -20.5195 -20.5195 -12.1272 -12.1272 -11.8516 -11.8516 4.7780 4.7780 14.0545 14.0545 14.9319 14.9319 15.5242 15.5242 19.8324 19.8324 23.5519 23.5519 24.9173 24.9173 26.4304 26.4304 26.8190 26.8190 k = 0.5817-0.0472 0.4789 ( 709 PWs) bands (ev): -47.4852 -47.4852 -20.5198 -20.5198 -12.1250 -12.1250 -11.8554 -11.8554 4.7808 4.7808 14.0675 14.0675 14.9234 14.9234 15.4990 15.4990 19.9028 19.9028 23.4506 23.4506 24.9667 24.9667 26.4013 26.4013 26.7963 26.7963 k = 0.5769-0.0444 0.4868 ( 709 PWs) bands (ev): -47.4851 -47.4851 -20.5201 -20.5201 -12.1226 -12.1226 -11.8593 -11.8593 4.7837 4.7837 14.0816 14.0816 14.9134 14.9134 15.4738 15.4738 19.9790 19.9790 23.3474 23.3474 25.0122 25.0122 26.3704 26.3704 26.7740 26.7740 k = 0.5721-0.0416 0.4946 ( 707 PWs) bands (ev): -47.4850 -47.4850 -20.5202 -20.5202 -12.1199 -12.1199 -11.8635 -11.8635 4.7869 4.7869 14.0967 14.0967 14.9019 14.9019 15.4490 15.4490 20.0606 20.0606 23.2427 23.2427 25.0537 25.0537 26.3388 26.3388 26.7520 26.7520 k = 0.5673-0.0389 0.5025 ( 711 PWs) bands (ev): -47.4849 -47.4849 -20.5206 -20.5206 -12.1171 -12.1171 -11.8681 -11.8681 4.7902 4.7902 14.1127 14.1127 14.8885 14.8885 15.4251 15.4251 20.1467 20.1467 23.1366 23.1366 25.0910 25.0910 26.3073 26.3073 26.7301 26.7301 k = 0.5625-0.0361 0.5103 ( 709 PWs) bands (ev): -47.4848 -47.4848 -20.5208 -20.5208 -12.1141 -12.1141 -11.8727 -11.8727 4.7935 4.7935 14.1293 14.1293 14.8736 14.8736 15.4028 15.4028 20.2370 20.2370 23.0295 23.0295 25.1243 25.1243 26.2770 26.2770 26.7086 26.7086 k = 0.5577-0.0333 0.5182 ( 709 PWs) bands (ev): -47.4847 -47.4847 -20.5211 -20.5211 -12.1111 -12.1111 -11.8774 -11.8774 4.7969 4.7969 14.1464 14.1464 14.8570 14.8570 15.3824 15.3824 20.3308 20.3308 22.9215 22.9215 25.1536 25.1536 26.2485 26.2485 26.6871 26.6871 k = 0.5529-0.0305 0.5260 ( 706 PWs) bands (ev): -47.4846 -47.4846 -20.5213 -20.5213 -12.1079 -12.1079 -11.8822 -11.8822 4.8002 4.8002 14.1637 14.1637 14.8390 14.8390 15.3642 15.3642 20.4277 20.4277 22.8127 22.8127 25.1790 25.1790 26.2227 26.2227 26.6655 26.6655 k = 0.5481-0.0278 0.5339 ( 706 PWs) bands (ev): -47.4845 -47.4845 -20.5216 -20.5216 -12.1048 -12.1048 -11.8870 -11.8870 4.8035 4.8035 14.1811 14.1811 14.8199 14.8199 15.3482 15.3482 20.5271 20.5271 22.7034 22.7034 25.2008 25.2008 26.2001 26.2001 26.6437 26.6437 k = 0.5433-0.0250 0.5417 ( 706 PWs) bands (ev): -47.4844 -47.4844 -20.5219 -20.5219 -12.1017 -12.1017 -11.8918 -11.8918 4.8067 4.8067 14.1983 14.1983 14.8001 14.8001 15.3346 15.3346 20.6287 20.6287 22.5936 22.5936 25.2193 25.2193 26.1813 26.1813 26.6215 26.6215 k = 0.5385-0.0222 0.5496 ( 702 PWs) bands (ev): -47.4843 -47.4843 -20.5220 -20.5220 -12.0984 -12.0984 -11.8964 -11.8964 4.8097 4.8097 14.2152 14.2152 14.7801 14.7801 15.3233 15.3233 20.7320 20.7320 22.4836 22.4836 25.2347 25.2347 26.1665 26.1665 26.5991 26.5991 k = 0.5337-0.0194 0.5574 ( 704 PWs) bands (ev): -47.4842 -47.4842 -20.5223 -20.5223 -12.0956 -12.0956 -11.9009 -11.9009 4.8125 4.8125 14.2312 14.2312 14.7603 14.7603 15.3140 15.3140 20.8366 20.8366 22.3734 22.3734 25.2474 25.2474 26.1559 26.1559 26.5763 26.5763 k = 0.5288-0.0167 0.5653 ( 704 PWs) bands (ev): -47.4841 -47.4841 -20.5226 -20.5226 -12.0928 -12.0928 -11.9050 -11.9050 4.8150 4.8150 14.2461 14.2461 14.7414 14.7414 15.3066 15.3066 20.9423 20.9423 22.2632 22.2632 25.2578 25.2578 26.1494 26.1494 26.5534 26.5534 k = 0.5240-0.0139 0.5731 ( 704 PWs) bands (ev): -47.4840 -47.4840 -20.5228 -20.5228 -12.0903 -12.0903 -11.9087 -11.9087 4.8172 4.8172 14.2596 14.2596 14.7240 14.7240 15.3008 15.3008 21.0486 21.0486 22.1532 22.1532 25.2662 25.2662 26.1470 26.1470 26.5306 26.5306 k = 0.5192-0.0111 0.5810 ( 704 PWs) bands (ev): -47.4840 -47.4840 -20.5230 -20.5230 -12.0882 -12.0882 -11.9120 -11.9120 4.8192 4.8192 14.2713 14.2713 14.7087 14.7087 15.2966 15.2966 21.1553 21.1553 22.0436 22.0436 25.2728 25.2728 26.1483 26.1483 26.5085 26.5085 k = 0.5144-0.0083 0.5888 ( 700 PWs) bands (ev): -47.4839 -47.4839 -20.5230 -20.5230 -12.0863 -12.0863 -11.9144 -11.9144 4.8207 4.8207 14.2808 14.2808 14.6962 14.6962 15.2937 15.2937 21.2617 21.2617 21.9349 21.9349 25.2779 25.2779 26.1526 26.1526 26.4879 26.4879 k = 0.5096-0.0056 0.5967 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5231 -20.5231 -12.0850 -12.0850 -11.9164 -11.9164 4.8218 4.8218 14.2877 14.2877 14.6869 14.6869 15.2918 15.2918 21.3668 21.3668 21.8282 21.8282 25.2815 25.2815 26.1585 26.1585 26.4702 26.4702 k = 0.5048-0.0028 0.6045 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0842 -12.0842 -11.9176 -11.9176 4.8225 4.8225 14.2919 14.2919 14.6811 14.6811 15.2908 15.2908 21.4660 21.4660 21.7279 21.7279 25.2837 25.2837 26.1642 26.1642 26.4573 26.4573 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0840 -12.0840 -11.9180 -11.9180 4.8228 4.8228 14.2933 14.2933 14.6792 14.6792 15.2904 15.2904 21.5251 21.5251 21.6685 21.6685 25.2845 25.2845 26.1667 26.1667 26.4524 26.4524 k = 0.5000 0.0000 0.6124 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0840 -12.0840 -11.9180 -11.9180 4.8228 4.8228 14.2933 14.2933 14.6792 14.6792 15.2904 15.2904 21.5251 21.5251 21.6685 21.6685 25.2845 25.2845 26.1667 26.1667 26.4524 26.4524 k = 0.5000 0.0057 0.6044 ( 700 PWs) bands (ev): -47.4838 -47.4838 -20.5232 -20.5232 -12.0842 -12.0842 -11.9175 -11.9175 4.8237 4.8237 14.2866 14.2866 14.6818 14.6818 15.2903 15.2903 21.5255 21.5255 21.6690 21.6690 25.2833 25.2833 26.1680 26.1680 26.4565 26.4565 k = 0.5000 0.0113 0.5964 ( 700 PWs) bands (ev): -47.4839 -47.4839 -20.5230 -20.5230 -12.0850 -12.0850 -11.9160 -11.9160 4.8266 4.8266 14.2673 14.2673 14.6892 14.6892 15.2899 15.2899 21.5266 21.5266 21.6707 21.6707 25.2799 25.2799 26.1717 26.1717 26.4689 26.4689 k = 0.5000 0.0170 0.5884 ( 700 PWs) bands (ev): -47.4840 -47.4840 -20.5227 -20.5227 -12.0863 -12.0863 -11.9136 -11.9136 4.8313 4.8313 14.2369 14.2369 14.6997 14.6997 15.2890 15.2890 21.5285 21.5285 21.6735 21.6735 25.2739 25.2739 26.1781 26.1781 26.4895 26.4895 k = 0.5000 0.0226 0.5804 ( 704 PWs) bands (ev): -47.4841 -47.4841 -20.5225 -20.5225 -12.0882 -12.0882 -11.9103 -11.9103 4.8378 4.8378 14.1973 14.1973 14.7116 14.7116 15.2875 15.2875 21.5312 21.5312 21.6776 21.6776 25.2653 25.2653 26.1872 26.1872 26.5180 26.5180 k = 0.5000 0.0283 0.5723 ( 704 PWs) bands (ev): -47.4843 -47.4843 -20.5220 -20.5220 -12.0904 -12.0904 -11.9060 -11.9060 4.8463 4.8463 14.1504 14.1504 14.7237 14.7237 15.2853 15.2853 21.5349 21.5349 21.6833 21.6833 25.2539 25.2539 26.1994 26.1994 26.5544 26.5544 k = 0.5000 0.0340 0.5643 ( 706 PWs) bands (ev): -47.4845 -47.4845 -20.5215 -20.5215 -12.0930 -12.0930 -11.9010 -11.9010 4.8565 4.8565 14.0974 14.0974 14.7347 14.7347 15.2820 15.2820 21.5397 21.5397 21.6907 21.6907 25.2395 25.2395 26.2149 26.2149 26.5982 26.5982 k = 0.5000 0.0396 0.5563 ( 704 PWs) bands (ev): -47.4847 -47.4847 -20.5208 -20.5208 -12.0958 -12.0958 -11.8952 -11.8952 4.8686 4.8686 14.0393 14.0393 14.7443 14.7443 15.2776 15.2776 21.5455 21.5455 21.7001 21.7001 25.2218 25.2218 26.2339 26.2339 26.6491 26.6491 k = 0.5000 0.0453 0.5483 ( 702 PWs) bands (ev): -47.4850 -47.4850 -20.5200 -20.5200 -12.0988 -12.0988 -11.8887 -11.8887 4.8824 4.8824 13.9770 13.9770 14.7519 14.7519 15.2716 15.2716 21.5525 21.5525 21.7119 21.7119 25.2008 25.2008 26.2567 26.2567 26.7067 26.7067 k = 0.5000 0.0509 0.5403 ( 702 PWs) bands (ev): -47.4853 -47.4853 -20.5191 -20.5191 -12.1021 -12.1021 -11.8816 -11.8816 4.8980 4.8980 13.9110 13.9110 14.7573 14.7573 15.2637 15.2637 21.5608 21.5608 21.7263 21.7263 25.1764 25.1764 26.2833 26.2833 26.7704 26.7704 k = 0.5000 0.0566 0.5323 ( 702 PWs) bands (ev): -47.4856 -47.4856 -20.5181 -20.5181 -12.1056 -12.1056 -11.8740 -11.8740 4.9153 4.9153 13.8418 13.8418 14.7605 14.7605 15.2538 15.2538 21.5705 21.5705 21.7437 21.7437 25.1486 25.1486 26.3137 26.3137 26.8399 26.8399 k = 0.5000 0.0623 0.5243 ( 702 PWs) bands (ev): -47.4860 -47.4860 -20.5171 -20.5171 -12.1092 -12.1092 -11.8658 -11.8658 4.9342 4.9342 13.7699 13.7699 14.7614 14.7614 15.2417 15.2417 21.5815 21.5815 21.7644 21.7644 25.1176 25.1176 26.3479 26.3479 26.9145 26.9145 k = 0.5000 0.0679 0.5163 ( 702 PWs) bands (ev): -47.4864 -47.4864 -20.5160 -20.5160 -12.1128 -12.1128 -11.8572 -11.8572 4.9546 4.9546 13.6956 13.6956 14.7602 14.7602 15.2272 15.2272 21.5940 21.5940 21.7887 21.7887 25.0835 25.0835 26.3858 26.3858 26.9938 26.9938 k = 0.5000 0.0736 0.5083 ( 708 PWs) bands (ev): -47.4868 -47.4868 -20.5150 -20.5150 -12.1167 -12.1167 -11.8483 -11.8483 4.9767 4.9767 13.6192 13.6192 14.7569 14.7569 15.2103 15.2103 21.6081 21.6081 21.8168 21.8168 25.0466 25.0466 26.4269 26.4269 27.0772 27.0772 k = 0.5000 0.0792 0.5003 ( 706 PWs) bands (ev): -47.4873 -47.4873 -20.5137 -20.5137 -12.1204 -12.1204 -11.8388 -11.8388 5.0002 5.0002 13.5411 13.5411 14.7516 14.7516 15.1911 15.1911 21.6240 21.6240 21.8488 21.8488 25.0074 25.0074 26.4712 26.4712 27.1643 27.1643 k = 0.5000 0.0849 0.4923 ( 706 PWs) bands (ev): -47.4877 -47.4877 -20.5123 -20.5123 -12.1242 -12.1242 -11.8290 -11.8290 5.0251 5.0251 13.4615 13.4615 14.7444 14.7444 15.1694 15.1694 21.6417 21.6417 21.8848 21.8848 24.9659 24.9659 26.5182 26.5182 27.2543 27.2543 k = 0.5000 0.0906 0.4843 ( 702 PWs) bands (ev): -47.4882 -47.4882 -20.5108 -20.5108 -12.1278 -12.1278 -11.8188 -11.8188 5.0513 5.0513 13.3807 13.3807 14.7356 14.7356 15.1455 15.1455 21.6615 21.6615 21.9248 21.9248 24.9226 24.9226 26.5675 26.5675 27.3470 27.3470 k = 0.5000 0.0962 0.4763 ( 702 PWs) bands (ev): -47.4887 -47.4887 -20.5094 -20.5094 -12.1316 -12.1316 -11.8084 -11.8084 5.0788 5.0788 13.2988 13.2988 14.7248 14.7248 15.1192 15.1192 21.6835 21.6835 21.9688 21.9688 24.8778 24.8778 26.6186 26.6186 27.4416 27.4416 k = 0.5000 0.1019 0.4683 ( 702 PWs) bands (ev): -47.4892 -47.4892 -20.5079 -20.5079 -12.1354 -12.1354 -11.7978 -11.7978 5.1075 5.1075 13.2162 13.2162 14.7125 14.7125 15.0909 15.0909 21.7078 21.7078 22.0166 22.0166 24.8318 24.8318 26.6710 26.6710 27.5378 27.5378 k = 0.5000 0.1075 0.4603 ( 700 PWs) bands (ev): -47.4897 -47.4897 -20.5063 -20.5063 -12.1391 -12.1391 -11.7868 -11.7868 5.1372 5.1372 13.1331 13.1331 14.6986 14.6986 15.0607 15.0607 21.7348 21.7348 22.0681 22.0681 24.7849 24.7849 26.7242 26.7242 27.6351 27.6351 k = 0.5000 0.1132 0.4523 ( 700 PWs) bands (ev): -47.4903 -47.4903 -20.5047 -20.5047 -12.1428 -12.1428 -11.7758 -11.7758 5.1679 5.1679 13.0497 13.0497 14.6833 14.6833 15.0288 15.0288 21.7644 21.7644 22.1230 22.1230 24.7373 24.7373 26.7775 26.7775 27.7329 27.7329 k = 0.5000 0.1189 0.4443 ( 702 PWs) bands (ev): -47.4909 -47.4909 -20.5032 -20.5032 -12.1464 -12.1464 -11.7647 -11.7647 5.1996 5.1996 12.9662 12.9662 14.6667 14.6667 14.9954 14.9954 21.7968 21.7968 22.1813 22.1813 24.6895 24.6895 26.8302 26.8302 27.8309 27.8309 k = 0.5000 0.1245 0.4363 ( 702 PWs) bands (ev): -47.4915 -47.4915 -20.5016 -20.5016 -12.1500 -12.1500 -11.7534 -11.7534 5.2320 5.2320 12.8829 12.8829 14.6488 14.6488 14.9607 14.9607 21.8322 21.8322 22.2425 22.2425 24.6416 24.6416 26.8815 26.8815 27.9285 27.9285 k = 0.5000 0.1302 0.4283 ( 704 PWs) bands (ev): -47.4921 -47.4921 -20.5000 -20.5000 -12.1536 -12.1536 -11.7420 -11.7420 5.2652 5.2652 12.7998 12.7998 14.6297 14.6297 14.9250 14.9250 21.8706 21.8706 22.3064 22.3064 24.5939 24.5939 26.9307 26.9307 28.0254 28.0254 k = 0.5000 0.1358 0.4203 ( 704 PWs) bands (ev): -47.4927 -47.4927 -20.4983 -20.4983 -12.1570 -12.1570 -11.7306 -11.7306 5.2989 5.2989 12.7174 12.7174 14.6096 14.6096 14.8886 14.8886 21.9123 21.9123 22.3727 22.3727 24.5466 24.5466 26.9766 26.9766 28.1211 28.1211 k = 0.5000 0.1415 0.4123 ( 702 PWs) bands (ev): -47.4933 -47.4933 -20.4966 -20.4966 -12.1604 -12.1604 -11.7191 -11.7191 5.3330 5.3330 12.6357 12.6357 14.5886 14.5886 14.8516 14.8516 21.9573 21.9573 22.4410 22.4410 24.4999 24.4999 27.0182 27.0182 28.2152 28.2152 k = 0.5000 0.1472 0.4042 ( 702 PWs) bands (ev): -47.4939 -47.4939 -20.4950 -20.4950 -12.1637 -12.1637 -11.7077 -11.7077 5.3675 5.3675 12.5550 12.5550 14.5667 14.5667 14.8142 14.8142 22.0055 22.0055 22.5111 22.5111 24.4540 24.4540 27.0542 27.0542 28.3075 28.3075 k = 0.5000 0.1528 0.3962 ( 702 PWs) bands (ev): -47.4944 -47.4944 -20.4933 -20.4933 -12.1669 -12.1669 -11.6963 -11.6963 5.4023 5.4023 12.4755 12.4755 14.5442 14.5442 14.7767 14.7767 22.0571 22.0571 22.5825 22.5825 24.4092 24.4092 27.0830 27.0830 28.3975 28.3975 k = 0.5000 0.1585 0.3882 ( 704 PWs) bands (ev): -47.4951 -47.4951 -20.4917 -20.4917 -12.1701 -12.1701 -11.6851 -11.6851 5.4371 5.4371 12.3974 12.3974 14.5211 14.5211 14.7393 14.7393 22.1120 22.1120 22.6548 22.6548 24.3655 24.3655 27.1032 27.1032 28.4848 28.4848 k = 0.5000 0.1641 0.3802 ( 704 PWs) bands (ev): -47.4956 -47.4956 -20.4901 -20.4901 -12.1731 -12.1731 -11.6740 -11.6740 5.4719 5.4719 12.3209 12.3209 14.4975 14.4975 14.7021 14.7021 22.1703 22.1703 22.7278 22.7278 24.3231 24.3231 27.1131 27.1131 28.5693 28.5693 k = 0.5000 0.1698 0.3722 ( 704 PWs) bands (ev): -47.4962 -47.4962 -20.4885 -20.4885 -12.1760 -12.1760 -11.6630 -11.6630 5.5065 5.5065 12.2462 12.2462 14.4737 14.4737 14.6655 14.6655 22.2319 22.2319 22.8009 22.8009 24.2823 24.2823 27.1109 27.1109 28.6506 28.6506 k = 0.5000 0.1755 0.3642 ( 704 PWs) bands (ev): -47.4968 -47.4968 -20.4870 -20.4870 -12.1788 -12.1788 -11.6523 -11.6523 5.5407 5.5407 12.1735 12.1735 14.4498 14.4498 14.6294 14.6294 22.2967 22.2967 22.8739 22.8739 24.2431 24.2431 27.0956 27.0956 28.7285 28.7285 k = 0.5000 0.1811 0.3562 ( 698 PWs) bands (ev): -47.4973 -47.4973 -20.4852 -20.4852 -12.1814 -12.1814 -11.6415 -11.6415 5.5746 5.5746 12.1030 12.1030 14.4258 14.4258 14.5942 14.5942 22.3647 22.3647 22.9463 22.9463 24.2058 24.2058 27.0660 27.0660 28.8031 28.8031 k = 0.5000 0.1868 0.3482 ( 698 PWs) bands (ev): -47.4978 -47.4978 -20.4838 -20.4838 -12.1840 -12.1840 -11.6313 -11.6313 5.6078 5.6078 12.0348 12.0348 14.4020 14.4020 14.5599 14.5599 22.4357 22.4357 23.0175 23.0175 24.1705 24.1705 27.0215 27.0215 28.8735 28.8735 k = 0.5000 0.1925 0.3402 ( 698 PWs) bands (ev): -47.4984 -47.4984 -20.4823 -20.4823 -12.1865 -12.1865 -11.6214 -11.6214 5.6403 5.6403 11.9692 11.9692 14.3784 14.3784 14.5266 14.5266 22.5096 22.5096 23.0873 23.0873 24.1373 24.1373 26.9626 26.9626 28.9400 28.9400 k = 0.5000 0.1981 0.3322 ( 700 PWs) bands (ev): -47.4989 -47.4989 -20.4810 -20.4810 -12.1889 -12.1889 -11.6118 -11.6118 5.6719 5.6719 11.9064 11.9064 14.3552 14.3552 14.4946 14.4946 22.5862 22.5862 23.1550 23.1550 24.1064 24.1064 26.8902 26.8902 29.0023 29.0023 k = 0.5000 0.2038 0.3242 ( 702 PWs) bands (ev): -47.4994 -47.4994 -20.4797 -20.4797 -12.1912 -12.1912 -11.6027 -11.6027 5.7025 5.7025 11.8464 11.8464 14.3326 14.3326 14.4639 14.4639 22.6653 22.6653 23.2203 23.2203 24.0782 24.0782 26.8057 26.8057 29.0602 29.0602 k = 0.5000 0.2094 0.3162 ( 698 PWs) bands (ev): -47.4998 -47.4998 -20.4784 -20.4784 -12.1933 -12.1933 -11.5938 -11.5938 5.7320 5.7320 11.7895 11.7895 14.3107 14.3107 14.4347 14.4347 22.7467 22.7467 23.2826 23.2826 24.0530 24.0530 26.7110 26.7110 29.1138 29.1138 k = 0.5000 0.2151 0.3082 ( 698 PWs) bands (ev): -47.5003 -47.5003 -20.4772 -20.4772 -12.1953 -12.1953 -11.5854 -11.5854 5.7601 5.7601 11.7358 11.7358 14.2896 14.2896 14.4070 14.4070 22.8298 22.8298 23.3413 23.3413 24.0309 24.0309 26.6082 26.6082 29.1627 29.1627 k = 0.5000 0.2208 0.3002 ( 698 PWs) bands (ev): -47.5007 -47.5007 -20.4760 -20.4760 -12.1971 -12.1971 -11.5776 -11.5776 5.7868 5.7868 11.6855 11.6855 14.2695 14.2695 14.3810 14.3810 22.9143 22.9143 23.3959 23.3959 24.0123 24.0123 26.4992 26.4992 29.2069 29.2069 k = 0.5000 0.2264 0.2922 ( 704 PWs) bands (ev): -47.5011 -47.5011 -20.4752 -20.4752 -12.1990 -12.1990 -11.5704 -11.5704 5.8119 5.8119 11.6386 11.6386 14.2503 14.2503 14.3567 14.3567 22.9995 22.9995 23.4456 23.4456 23.9978 23.9978 26.3861 26.3861 29.2463 29.2463 k = 0.5000 0.2321 0.2842 ( 704 PWs) bands (ev): -47.5015 -47.5015 -20.4742 -20.4742 -12.2006 -12.2006 -11.5636 -11.5636 5.8353 5.8353 11.5954 11.5954 14.2324 14.2324 14.3343 14.3343 23.0848 23.0848 23.4900 23.4900 23.9879 23.9879 26.2707 26.2707 29.2813 29.2813 k = 0.5000 0.2377 0.2762 ( 706 PWs) bands (ev): -47.5018 -47.5018 -20.4734 -20.4734 -12.2021 -12.2021 -11.5574 -11.5574 5.8568 5.8568 11.5560 11.5560 14.2158 14.2158 14.3138 14.3138 23.1693 23.1693 23.5284 23.5284 23.9829 23.9829 26.1550 26.1550 29.3127 29.3127 k = 0.5000 0.2434 0.2682 ( 706 PWs) bands (ev): -47.5021 -47.5021 -20.4726 -20.4726 -12.2034 -12.2034 -11.5517 -11.5517 5.8765 5.8765 11.5204 11.5204 14.2007 14.2007 14.2953 14.2953 23.2518 23.2518 23.5606 23.5606 23.9833 23.9833 26.0408 26.0408 29.3410 29.3411 k = 0.5000 0.2491 0.2602 ( 708 PWs) bands (ev): -47.5024 -47.5024 -20.4719 -20.4719 -12.2046 -12.2046 -11.5468 -11.5468 5.8941 5.8941 11.4887 11.4887 14.1870 14.1870 14.2789 14.2789 23.3308 23.3308 23.5866 23.5866 23.9890 23.9890 25.9300 25.9300 29.3666 29.3666 k = 0.5000 0.2547 0.2522 ( 708 PWs) bands (ev): -47.5027 -47.5027 -20.4713 -20.4713 -12.2056 -12.2056 -11.5423 -11.5423 5.9095 5.9095 11.4611 11.4611 14.1749 14.1749 14.2646 14.2646 23.4044 23.4044 23.6070 23.6070 23.9998 23.9998 25.8246 25.8246 29.3895 29.3895 k = 0.5000 0.2604 0.2441 ( 708 PWs) bands (ev): -47.5029 -47.5029 -20.4708 -20.4708 -12.2064 -12.2064 -11.5386 -11.5386 5.9228 5.9228 11.4376 11.4376 14.1645 14.1645 14.2525 14.2525 23.4700 23.4700 23.6232 23.6232 24.0145 24.0145 25.7271 25.7271 29.4094 29.4094 k = 0.5000 0.2660 0.2361 ( 708 PWs) bands (ev): -47.5030 -47.5030 -20.4704 -20.4704 -12.2071 -12.2071 -11.5355 -11.5355 5.9337 5.9337 11.4183 11.4183 14.1559 14.1559 14.2425 14.2425 23.5247 23.5247 23.6370 23.6370 24.0319 24.0319 25.6403 25.6403 29.4260 29.4260 k = 0.5000 0.2717 0.2281 ( 708 PWs) bands (ev): -47.5031 -47.5031 -20.4700 -20.4700 -12.2077 -12.2077 -11.5330 -11.5330 5.9423 5.9423 11.4032 11.4032 14.1492 14.1492 14.2347 14.2347 23.5651 23.5651 23.6507 23.6507 24.0499 24.0499 25.5672 25.5672 29.4392 29.4392 k = 0.5000 0.2774 0.2201 ( 706 PWs) bands (ev): -47.5032 -47.5032 -20.4697 -20.4697 -12.2081 -12.2081 -11.5312 -11.5312 5.9484 5.9484 11.3924 11.3924 14.1443 14.1443 14.2292 14.2292 23.5898 23.5898 23.6652 23.6652 24.0659 24.0659 25.5115 25.5115 29.4488 29.4488 k = 0.5000 0.2830 0.2121 ( 704 PWs) bands (ev): -47.5033 -47.5033 -20.4695 -20.4695 -12.2083 -12.2083 -11.5301 -11.5301 5.9522 5.9522 11.3859 11.3859 14.1414 14.1414 14.2258 14.2258 23.6016 23.6016 23.6769 23.6769 24.0771 24.0771 25.4764 25.4764 29.4546 29.4546 k = 0.5000 0.2887 0.2041 ( 700 PWs) bands (ev): -47.5032 -47.5032 -20.4693 -20.4693 -12.2083 -12.2083 -11.5296 -11.5296 5.9534 5.9534 11.3838 11.3838 14.1405 14.1405 14.2248 14.2248 23.6050 23.6050 23.6814 23.6814 24.0812 24.0812 25.4644 25.4644 29.4567 29.4567 k = 0.5000 0.2887 0.2041 ( 700 PWs) bands (ev): -47.5032 -47.5032 -20.4693 -20.4693 -12.2083 -12.2083 -11.5296 -11.5296 5.9534 5.9534 11.3838 11.3838 14.1405 14.1405 14.2248 14.2248 23.6050 23.6050 23.6814 23.6814 24.0812 24.0812 25.4644 25.4644 29.4567 29.4567 k = 0.4972 0.2870 0.2134 ( 703 PWs) bands (ev): -47.5033 -47.5033 -20.4695 -20.4695 -12.2082 -12.2082 -11.5301 -11.5301 5.9521 5.9521 11.3859 11.3859 14.1415 14.1415 14.2259 14.2259 23.6016 23.6016 23.6769 23.6769 24.0771 24.0771 25.4765 25.4765 29.4546 29.4546 k = 0.4943 0.2854 0.2227 ( 707 PWs) bands (ev): -47.5032 -47.5032 -20.4698 -20.4698 -12.2081 -12.2081 -11.5313 -11.5313 5.9484 5.9484 11.3925 11.3925 14.1443 14.1443 14.2292 14.2292 23.5896 23.5896 23.6651 23.6651 24.0658 24.0658 25.5119 25.5119 29.4487 29.4487 k = 0.4915 0.2838 0.2320 ( 707 PWs) bands (ev): -47.5031 -47.5031 -20.4700 -20.4700 -12.2077 -12.2077 -11.5330 -11.5330 5.9422 5.9422 11.4034 11.4034 14.1492 14.1492 14.2348 14.2348 23.5643 23.5643 23.6513 23.6513 24.0496 24.0496 25.5680 25.5680 29.4391 29.4391 k = 0.4886 0.2821 0.2412 ( 707 PWs) bands (ev): -47.5030 -47.5030 -20.4704 -20.4704 -12.2071 -12.2071 -11.5355 -11.5355 5.9336 5.9336 11.4186 11.4186 14.1560 14.1560 14.2426 14.2426 23.5220 23.5220 23.6395 23.6395 24.0310 24.0310 25.6415 25.6415 29.4259 29.4259 k = 0.4858 0.2805 0.2505 ( 709 PWs) bands (ev): -47.5029 -47.5029 -20.4708 -20.4708 -12.2065 -12.2065 -11.5387 -11.5387 5.9226 5.9226 11.4380 11.4380 14.1647 14.1647 14.2526 14.2526 23.4642 23.4642 23.6299 23.6299 24.0118 24.0118 25.7290 25.7290 29.4090 29.4090 k = 0.4830 0.2788 0.2598 ( 709 PWs) bands (ev): -47.5027 -47.5027 -20.4714 -20.4714 -12.2056 -12.2056 -11.5425 -11.5425 5.9092 5.9092 11.4617 11.4617 14.1751 14.1751 14.2649 14.2649 23.3940 23.3940 23.6212 23.6212 23.9933 23.9933 25.8272 25.8272 29.3889 29.3889 k = 0.4801 0.2772 0.2691 ( 709 PWs) bands (ev): -47.5024 -47.5024 -20.4720 -20.4720 -12.2046 -12.2046 -11.5469 -11.5469 5.8936 5.8936 11.4895 11.4895 14.1873 14.1873 14.2793 14.2793 23.3145 23.3145 23.6126 23.6126 23.9760 23.9760 25.9333 25.9333 29.3658 29.3658 k = 0.4773 0.2756 0.2784 ( 707 PWs) bands (ev): -47.5021 -47.5021 -20.4726 -20.4726 -12.2034 -12.2034 -11.5519 -11.5519 5.8759 5.8759 11.5214 11.5214 14.2011 14.2011 14.2958 14.2958 23.2280 23.2280 23.6035 23.6035 23.9598 23.9598 26.0451 26.0451 29.3402 29.3402 k = 0.4744 0.2739 0.2876 ( 703 PWs) bands (ev): -47.5018 -47.5018 -20.4733 -20.4733 -12.2020 -12.2020 -11.5575 -11.5575 5.8561 5.8561 11.5573 11.5573 14.2165 14.2165 14.3144 14.3144 23.1364 23.1364 23.5939 23.5939 23.9450 23.9450 26.1604 26.1604 29.3124 29.3124 k = 0.4716 0.2723 0.2969 ( 701 PWs) bands (ev): -47.5015 -47.5015 -20.4741 -20.4741 -12.2005 -12.2005 -11.5637 -11.5637 5.8344 5.8344 11.5971 11.5971 14.2333 14.2333 14.3350 14.3350 23.0407 23.0407 23.5839 23.5839 23.9314 23.9314 26.2772 26.2772 29.2828 29.2828 k = 0.4688 0.2706 0.3062 ( 705 PWs) bands (ev): -47.5011 -47.5011 -20.4752 -20.4752 -12.1989 -12.1989 -11.5707 -11.5707 5.8108 5.8108 11.6406 11.6406 14.2514 14.2514 14.3575 14.3575 22.9423 22.9423 23.5733 23.5733 23.9191 23.9191 26.3937 26.3937 29.2512 29.2512 k = 0.4659 0.2690 0.3155 ( 703 PWs) bands (ev): -47.5007 -47.5007 -20.4762 -20.4762 -12.1972 -12.1972 -11.5781 -11.5781 5.7855 5.7855 11.6878 11.6878 14.2709 14.2709 14.3818 14.3818 22.8416 22.8416 23.5625 23.5625 23.9083 23.9083 26.5080 26.5080 29.2177 29.2177 k = 0.4631 0.2674 0.3247 ( 705 PWs) bands (ev): -47.5003 -47.5003 -20.4774 -20.4774 -12.1953 -12.1953 -11.5860 -11.5860 5.7585 5.7585 11.7385 11.7385 14.2914 14.2914 14.4079 14.4079 22.7394 22.7394 23.5517 23.5517 23.8988 23.8988 26.6181 26.6181 29.1816 29.1816 k = 0.4602 0.2657 0.3340 ( 703 PWs) bands (ev): -47.4999 -47.4999 -20.4786 -20.4786 -12.1933 -12.1933 -11.5943 -11.5943 5.7301 5.7301 11.7927 11.7927 14.3131 14.3131 14.4357 14.4357 22.6360 22.6360 23.5412 23.5412 23.8910 23.8910 26.7218 26.7218 29.1425 29.1425 k = 0.4574 0.2641 0.3433 ( 703 PWs) bands (ev): -47.4994 -47.4994 -20.4799 -20.4799 -12.1912 -12.1912 -11.6031 -11.6031 5.7003 5.7003 11.8501 11.8501 14.3357 14.3357 14.4650 14.4650 22.5316 22.5316 23.5312 23.5312 23.8847 23.8847 26.8170 26.8170 29.1001 29.1001 k = 0.4545 0.2624 0.3526 ( 703 PWs) bands (ev): -47.4989 -47.4989 -20.4812 -20.4812 -12.1890 -12.1890 -11.6123 -11.6123 5.6694 5.6694 11.9105 11.9105 14.3591 14.3591 14.4958 14.4958 22.4265 22.4265 23.5222 23.5222 23.8801 23.8801 26.9013 26.9013 29.0548 29.0548 k = 0.4517 0.2608 0.3619 ( 703 PWs) bands (ev): -47.4984 -47.4984 -20.4826 -20.4826 -12.1866 -12.1866 -11.6219 -11.6219 5.6373 5.6373 11.9740 11.9740 14.3833 14.3833 14.5280 14.5280 22.3207 22.3207 23.5145 23.5145 23.8772 23.8772 26.9728 26.9728 29.0065 29.0065 k = 0.4489 0.2592 0.3711 ( 703 PWs) bands (ev): -47.4979 -47.4979 -20.4840 -20.4840 -12.1842 -12.1842 -11.6318 -11.6318 5.6043 5.6043 12.0401 12.0401 14.4081 14.4081 14.5615 14.5615 22.2144 22.2144 23.5083 23.5083 23.8761 23.8761 27.0296 27.0296 28.9557 28.9557 k = 0.4460 0.2575 0.3804 ( 700 PWs) bands (ev): -47.4973 -47.4973 -20.4854 -20.4854 -12.1816 -12.1816 -11.6418 -11.6418 5.5705 5.5705 12.1089 12.1089 14.4335 14.4335 14.5962 14.5962 22.1078 22.1078 23.5041 23.5041 23.8768 23.8768 27.0709 27.0709 28.9023 28.9023 k = 0.4432 0.2559 0.3897 ( 702 PWs) bands (ev): -47.4967 -47.4967 -20.4870 -20.4870 -12.1791 -12.1791 -11.6522 -11.6522 5.5359 5.5359 12.1801 12.1801 14.4592 14.4592 14.6320 14.6320 22.0007 22.0007 23.5021 23.5021 23.8793 23.8793 27.0963 27.0963 28.8466 28.8466 k = 0.4403 0.2542 0.3990 ( 701 PWs) bands (ev): -47.4962 -47.4962 -20.4886 -20.4886 -12.1764 -12.1764 -11.6628 -11.6628 5.5008 5.5008 12.2534 12.2534 14.4852 14.4852 14.6689 14.6689 21.8934 21.8934 23.5026 23.5026 23.8837 23.8837 27.1065 27.1065 28.7886 28.7886 k = 0.4375 0.2526 0.4082 ( 701 PWs) bands (ev): -47.4956 -47.4956 -20.4902 -20.4902 -12.1737 -12.1737 -11.6735 -11.6735 5.4653 5.4653 12.3288 12.3288 14.5114 14.5114 14.7068 14.7068 21.7858 21.7858 23.5058 23.5058 23.8901 23.8901 27.1027 27.1027 28.7284 28.7284 k = 0.4347 0.2510 0.4175 ( 701 PWs) bands (ev): -47.4950 -47.4950 -20.4918 -20.4918 -12.1709 -12.1709 -11.6842 -11.6842 5.4294 5.4294 12.4059 12.4059 14.5376 14.5376 14.7455 14.7455 21.6781 21.6781 23.5118 23.5118 23.8984 23.8984 27.0867 27.0867 28.6661 28.6661 k = 0.4318 0.2493 0.4268 ( 703 PWs) bands (ev): -47.4944 -47.4944 -20.4935 -20.4935 -12.1681 -12.1681 -11.6951 -11.6951 5.3933 5.3933 12.4846 12.4846 14.5637 14.5637 14.7850 14.7850 21.5702 21.5702 23.5207 23.5207 23.9086 23.9086 27.0605 27.0605 28.6017 28.6017 k = 0.4290 0.2477 0.4361 ( 699 PWs) bands (ev): -47.4938 -47.4938 -20.4950 -20.4950 -12.1653 -12.1653 -11.7058 -11.7058 5.3572 5.3572 12.5646 12.5646 14.5897 14.5897 14.8254 14.8254 21.4624 21.4624 23.5327 23.5327 23.9210 23.9210 27.0261 27.0261 28.5354 28.5354 k = 0.4261 0.2460 0.4454 ( 700 PWs) bands (ev): -47.4932 -47.4932 -20.4967 -20.4967 -12.1625 -12.1625 -11.7165 -11.7165 5.3210 5.3210 12.6457 12.6457 14.6154 14.6154 14.8664 14.8664 21.3546 21.3546 23.5478 23.5478 23.9355 23.9355 26.9853 26.9853 28.4671 28.4671 k = 0.4233 0.2444 0.4546 ( 700 PWs) bands (ev): -47.4926 -47.4926 -20.4983 -20.4983 -12.1597 -12.1597 -11.7271 -11.7271 5.2850 5.2850 12.7277 12.7277 14.6408 14.6408 14.9080 14.9080 21.2470 21.2470 23.5659 23.5659 23.9520 23.9520 26.9402 26.9402 28.3969 28.3969 k = 0.4205 0.2427 0.4639 ( 702 PWs) bands (ev): -47.4921 -47.4921 -20.5000 -20.5000 -12.1570 -12.1570 -11.7376 -11.7376 5.2491 5.2491 12.8103 12.8103 14.6657 14.6657 14.9501 14.9501 21.1395 21.1395 23.5870 23.5870 23.9706 23.9706 26.8921 26.8921 28.3248 28.3248 k = 0.4176 0.2411 0.4732 ( 702 PWs) bands (ev): -47.4915 -47.4915 -20.5016 -20.5016 -12.1544 -12.1544 -11.7477 -11.7477 5.2136 5.2136 12.8932 12.8932 14.6901 14.6901 14.9927 14.9927 21.0324 21.0324 23.6109 23.6109 23.9914 23.9914 26.8426 26.8426 28.2509 28.2509 k = 0.4148 0.2395 0.4825 ( 702 PWs) bands (ev): -47.4909 -47.4909 -20.5032 -20.5032 -12.1518 -12.1518 -11.7576 -11.7576 5.1785 5.1785 12.9761 12.9761 14.7140 14.7140 15.0357 15.0357 20.9258 20.9258 23.6375 23.6375 24.0143 24.0143 26.7929 26.7929 28.1751 28.1751 k = 0.4119 0.2378 0.4918 ( 702 PWs) bands (ev): -47.4904 -47.4904 -20.5048 -20.5048 -12.1493 -12.1493 -11.7671 -11.7671 5.1439 5.1439 13.0589 13.0589 14.7372 14.7372 15.0791 15.0791 20.8198 20.8198 23.6667 23.6667 24.0393 24.0393 26.7442 26.7442 28.0976 28.0976 k = 0.4091 0.2362 0.5010 ( 702 PWs) bands (ev): -47.4898 -47.4898 -20.5063 -20.5063 -12.1470 -12.1470 -11.7762 -11.7762 5.1098 5.1098 13.1413 13.1413 14.7597 14.7597 15.1227 15.1227 20.7144 20.7144 23.6980 23.6980 24.0664 24.0664 26.6975 26.6975 28.0183 28.0183 k = 0.4062 0.2345 0.5103 ( 702 PWs) bands (ev): -47.4893 -47.4893 -20.5077 -20.5077 -12.1448 -12.1448 -11.7849 -11.7849 5.0764 5.0764 13.2230 13.2230 14.7814 14.7814 15.1666 15.1666 20.6098 20.6098 23.7314 23.7314 24.0955 24.0955 26.6537 26.6537 27.9372 27.9372 k = 0.4034 0.2329 0.5196 ( 703 PWs) bands (ev): -47.4888 -47.4888 -20.5092 -20.5092 -12.1429 -12.1429 -11.7930 -11.7930 5.0437 5.0437 13.3037 13.3037 14.8023 14.8023 15.2105 15.2105 20.5062 20.5062 23.7666 23.7666 24.1266 24.1266 26.6138 26.6138 27.8545 27.8545 k = 0.4006 0.2313 0.5289 ( 701 PWs) bands (ev): -47.4883 -47.4883 -20.5104 -20.5104 -12.1411 -12.1411 -11.8004 -11.8004 5.0117 5.0117 13.3831 13.3831 14.8224 14.8224 15.2546 15.2546 20.4036 20.4036 23.8032 23.8032 24.1594 24.1594 26.5785 26.5785 27.7700 27.7700 k = 0.3977 0.2296 0.5381 ( 701 PWs) bands (ev): -47.4879 -47.4879 -20.5117 -20.5117 -12.1396 -12.1396 -11.8074 -11.8074 4.9806 4.9806 13.4611 13.4611 14.8416 14.8416 15.2985 15.2985 20.3021 20.3021 23.8410 23.8410 24.1940 24.1940 26.5485 26.5485 27.6840 27.6840 k = 0.3949 0.2280 0.5474 ( 701 PWs) bands (ev): -47.4875 -47.4875 -20.5129 -20.5129 -12.1383 -12.1383 -11.8136 -11.8136 4.9503 4.9503 13.5374 13.5374 14.8598 14.8598 15.3424 15.3424 20.2020 20.2020 23.8797 23.8797 24.2301 24.2301 26.5243 26.5243 27.5963 27.5963 k = 0.3920 0.2263 0.5567 ( 703 PWs) bands (ev): -47.4871 -47.4871 -20.5141 -20.5141 -12.1373 -12.1373 -11.8192 -11.8192 4.9210 4.9210 13.6116 13.6116 14.8770 14.8770 15.3862 15.3862 20.1032 20.1032 23.9190 23.9190 24.2676 24.2676 26.5066 26.5066 27.5070 27.5070 k = 0.3892 0.2247 0.5660 ( 701 PWs) bands (ev): -47.4867 -47.4867 -20.5150 -20.5150 -12.1365 -12.1365 -11.8240 -11.8240 4.8926 4.8926 13.6837 13.6837 14.8933 14.8933 15.4297 15.4297 20.0060 20.0060 23.9587 23.9587 24.3062 24.3062 26.4957 26.4957 27.4163 27.4163 k = 0.3864 0.2231 0.5753 ( 703 PWs) bands (ev): -47.4864 -47.4864 -20.5160 -20.5160 -12.1360 -12.1360 -11.8282 -11.8282 4.8653 4.8653 13.7533 13.7533 14.9086 14.9086 15.4730 15.4730 19.9103 19.9103 23.9985 23.9985 24.3458 24.3458 26.4918 26.4918 27.3240 27.3240 k = 0.3835 0.2214 0.5845 ( 705 PWs) bands (ev): -47.4862 -47.4862 -20.5169 -20.5169 -12.1357 -12.1357 -11.8316 -11.8316 4.8390 4.8390 13.8202 13.8202 14.9228 14.9228 15.5159 15.5159 19.8164 19.8164 24.0383 24.0383 24.3863 24.3863 26.4951 26.4951 27.2303 27.2303 k = 0.3807 0.2198 0.5938 ( 704 PWs) bands (ev): -47.4859 -47.4859 -20.5175 -20.5175 -12.1355 -12.1355 -11.8342 -11.8342 4.8137 4.8137 13.8842 13.8842 14.9361 14.9361 15.5585 15.5585 19.7242 19.7242 24.0780 24.0780 24.4273 24.4273 26.5055 26.5055 27.1354 27.1354 k = 0.3778 0.2181 0.6031 ( 706 PWs) bands (ev): -47.4857 -47.4857 -20.5182 -20.5182 -12.1357 -12.1357 -11.8361 -11.8361 4.7895 4.7895 13.9450 13.9450 14.9483 14.9483 15.6006 15.6006 19.6340 19.6340 24.1173 24.1173 24.4688 24.4688 26.5227 26.5227 27.0393 27.0393 k = 0.3750 0.2165 0.6124 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5186 -20.5186 -12.1360 -12.1360 -11.8372 -11.8372 4.7664 4.7664 14.0024 14.0024 14.9598 14.9598 15.6423 15.6423 19.5458 19.5458 24.1563 24.1563 24.5106 24.5106 26.5462 26.5462 26.9421 26.9421 k = 0.6250-0.0722 0.4082 ( 706 PWs) bands (ev): -47.4855 -47.4855 -20.5186 -20.5186 -12.1360 -12.1360 -11.8372 -11.8372 4.7664 4.7664 14.0024 14.0024 14.9598 14.9598 15.6423 15.6423 19.5458 19.5458 24.1563 24.1563 24.5106 24.5106 26.5462 26.5462 26.9421 26.9421 k = 0.6202-0.0805 0.4082 ( 706 PWs) bands (ev): -47.4853 -47.4853 -20.5192 -20.5192 -12.1366 -12.1366 -11.8382 -11.8382 4.7283 4.7283 14.0964 14.0964 14.9794 14.9794 15.7135 15.7135 19.3999 19.3999 24.2212 24.2212 24.5804 24.5804 26.5887 26.5887 26.7778 26.7778 k = 0.6154-0.0888 0.4082 ( 706 PWs) bands (ev): -47.4851 -47.4851 -20.5198 -20.5198 -12.1374 -12.1374 -11.8387 -11.8387 4.6904 4.6904 14.1895 14.1895 15.0009 15.0009 15.7864 15.7864 19.2578 19.2578 24.2848 24.2848 24.6482 24.6482 26.6006 26.6006 26.6416 26.6416 k = 0.6106-0.0972 0.4082 ( 706 PWs) bands (ev): -47.4849 -47.4849 -20.5203 -20.5203 -12.1384 -12.1384 -11.8386 -11.8386 4.6528 4.6528 14.2810 14.2810 15.0247 15.0247 15.8608 15.8608 19.1196 19.1196 24.3469 24.3469 24.7136 24.7136 26.4480 26.4480 26.6677 26.6677 k = 0.6058-0.1055 0.4082 ( 710 PWs) bands (ev): -47.4848 -47.4848 -20.5208 -20.5208 -12.1397 -12.1397 -11.8382 -11.8382 4.6156 4.6156 14.3699 14.3699 15.0516 15.0516 15.9362 15.9362 18.9852 18.9852 24.4073 24.4073 24.7762 24.7762 26.2889 26.2889 26.6987 26.6987 k = 0.6010-0.1138 0.4082 ( 710 PWs) bands (ev): -47.4847 -47.4847 -20.5212 -20.5212 -12.1411 -12.1411 -11.8372 -11.8372 4.5792 4.5792 14.4550 14.4550 15.0824 15.0824 16.0126 16.0126 18.8549 18.8549 24.4662 24.4662 24.8354 24.8354 26.1330 26.1330 26.7257 26.7257 k = 0.5962-0.1221 0.4082 ( 710 PWs) bands (ev): -47.4845 -47.4845 -20.5215 -20.5215 -12.1427 -12.1427 -11.8357 -11.8357 4.5435 4.5435 14.5351 14.5351 15.1181 15.1181 16.0896 16.0896 18.7286 18.7286 24.5232 24.5232 24.8902 24.8902 25.9818 25.9818 26.7482 26.7482 k = 0.5913-0.1305 0.4082 ( 704 PWs) bands (ev): -47.4844 -47.4844 -20.5215 -20.5215 -12.1442 -12.1442 -11.8337 -11.8337 4.5087 4.5087 14.6090 14.6090 15.1599 15.1599 16.1669 16.1669 18.6065 18.6065 24.5782 24.5782 24.9389 24.9389 25.8377 25.8377 26.7661 26.7661 k = 0.5865-0.1388 0.4082 ( 704 PWs) bands (ev): -47.4843 -47.4843 -20.5218 -20.5218 -12.1461 -12.1461 -11.8315 -11.8315 4.4749 4.4749 14.6750 14.6750 15.2085 15.2085 16.2440 16.2440 18.4886 18.4886 24.6312 24.6312 24.9785 24.9785 25.7039 25.7039 26.7789 26.7789 k = 0.5817-0.1471 0.4082 ( 704 PWs) bands (ev): -47.4842 -47.4842 -20.5219 -20.5219 -12.1480 -12.1480 -11.8291 -11.8291 4.4423 4.4423 14.7324 14.7324 15.2644 15.2644 16.3207 16.3207 18.3748 18.3748 24.6820 24.6820 25.0032 25.0032 25.5866 25.5866 26.7867 26.7867 k = 0.5769-0.1554 0.4082 ( 704 PWs) bands (ev): -47.4841 -47.4841 -20.5221 -20.5221 -12.1500 -12.1500 -11.8264 -11.8264 4.4109 4.4109 14.7815 14.7815 15.3274 15.3274 16.3965 16.3965 18.2654 18.2654 24.7305 24.7305 25.0032 25.0032 25.4961 25.4961 26.7896 26.7896 k = 0.5721-0.1638 0.4082 ( 706 PWs) bands (ev): -47.4841 -47.4841 -20.5222 -20.5222 -12.1521 -12.1521 -11.8236 -11.8236 4.3809 4.3809 14.8227 14.8227 15.3963 15.3963 16.4710 16.4710 18.1600 18.1600 24.7763 24.7763 24.9680 24.9680 25.4434 25.4434 26.7877 26.7877 k = 0.5673-0.1721 0.4082 ( 706 PWs) bands (ev): -47.4841 -47.4841 -20.5223 -20.5223 -12.1541 -12.1541 -11.8207 -11.8207 4.3523 4.3523 14.8572 14.8572 15.4699 15.4699 16.5436 16.5436 18.0592 18.0592 24.8188 24.8188 24.8991 24.8991 25.4280 25.4280 26.7814 26.7814 k = 0.5625-0.1804 0.4082 ( 710 PWs) bands (ev): -47.4841 -47.4841 -20.5225 -20.5225 -12.1562 -12.1562 -11.8178 -11.8178 4.3254 4.3254 14.8860 14.8860 15.5466 15.5466 16.6139 16.6139 17.9627 17.9627 24.8035 24.8035 24.8636 24.8636 25.4375 25.4375 26.7710 26.7710 k = 0.5577-0.1887 0.4082 ( 706 PWs) bands (ev): -47.4840 -47.4840 -20.5224 -20.5224 -12.1581 -12.1581 -11.8147 -11.8147 4.3000 4.3000 14.9105 14.9105 15.6250 15.6250 16.6815 16.6815 17.8709 17.8709 24.7047 24.7047 24.9001 24.9001 25.4596 25.4596 26.7573 26.7573 k = 0.5529-0.1971 0.4082 ( 708 PWs) bands (ev): -47.4840 -47.4840 -20.5225 -20.5225 -12.1601 -12.1601 -11.8119 -11.8119 4.2764 4.2764 14.9313 14.9313 15.7040 15.7040 16.7452 16.7452 17.7837 17.7837 24.6031 24.6031 24.9350 24.9350 25.4872 25.4872 26.7407 26.7407 k = 0.5481-0.2054 0.4082 ( 708 PWs) bands (ev): -47.4840 -47.4840 -20.5225 -20.5225 -12.1619 -12.1619 -11.8090 -11.8090 4.2546 4.2546 14.9491 14.9491 15.7824 15.7824 16.8046 16.8046 17.7015 17.7015 24.5041 24.5041 24.9671 24.9671 25.5166 25.5166 26.7221 26.7221 k = 0.5433-0.2137 0.4082 ( 708 PWs) bands (ev): -47.4840 -47.4840 -20.5225 -20.5225 -12.1637 -12.1637 -11.8063 -11.8063 4.2347 4.2347 14.9644 14.9644 15.8595 15.8595 16.8588 16.8588 17.6248 17.6248 24.4103 24.4103 24.9962 24.9962 25.5456 25.5456 26.7023 26.7023 k = 0.5385-0.2221 0.4082 ( 708 PWs) bands (ev): -47.4840 -47.4840 -20.5225 -20.5225 -12.1653 -12.1653 -11.8038 -11.8038 4.2167 4.2167 14.9776 14.9776 15.9343 15.9343 16.9065 16.9065 17.5544 17.5544 24.3232 24.3232 25.0223 25.0223 25.5733 25.5733 26.6820 26.6820 k = 0.5337-0.2304 0.4082 ( 708 PWs) bands (ev): -47.4840 -47.4840 -20.5225 -20.5225 -12.1667 -12.1667 -11.8015 -11.8015 4.2007 4.2007 14.9889 14.9889 16.0060 16.0060 16.9466 16.9466 17.4912 17.4912 24.2441 24.2441 25.0452 25.0452 25.5988 25.5988 26.6621 26.6621 k = 0.5288-0.2387 0.4082 ( 704 PWs) bands (ev): -47.4839 -47.4839 -20.5224 -20.5224 -12.1679 -12.1679 -11.7993 -11.7993 4.1867 4.1867 14.9984 14.9984 16.0736 16.0736 16.9775 16.9775 17.4371 17.4371 24.1739 24.1739 25.0651 25.0651 25.6216 25.6216 26.6433 26.6433 k = 0.5240-0.2470 0.4082 ( 704 PWs) bands (ev): -47.4839 -47.4839 -20.5224 -20.5224 -12.1691 -12.1691 -11.7975 -11.7975 4.1748 4.1748 15.0063 15.0063 16.1361 16.1361 16.9976 16.9976 17.3935 17.3935 24.1132 24.1132 25.0818 25.0818 25.6414 25.6414 26.6263 26.6263 k = 0.5192-0.2554 0.4082 ( 704 PWs) bands (ev): -47.4839 -47.4839 -20.5224 -20.5224 -12.1700 -12.1700 -11.7960 -11.7960 4.1650 4.1650 15.0127 15.0127 16.1919 16.1919 17.0063 17.0063 17.3618 17.3618 24.0627 24.0627 25.0955 25.0955 25.6579 25.6579 26.6115 26.6115 k = 0.5144-0.2637 0.4082 ( 700 PWs) bands (ev): -47.4839 -47.4839 -20.5222 -20.5222 -12.1706 -12.1706 -11.7946 -11.7946 4.1574 4.1574 15.0176 15.0176 16.2393 16.2393 17.0054 17.0054 17.3420 17.3420 24.0230 24.0230 25.1060 25.1060 25.6710 25.6710 26.5996 26.5996 k = 0.5096-0.2720 0.4082 ( 692 PWs) bands (ev): -47.4838 -47.4838 -20.5220 -20.5220 -12.1710 -12.1710 -11.7935 -11.7935 4.1519 4.1519 15.0211 15.0211 16.2760 16.2760 16.9988 16.9988 17.3315 17.3315 23.9944 23.9944 25.1137 25.1137 25.6804 25.6804 26.5908 26.5908 k = 0.5048-0.2803 0.4082 ( 692 PWs) bands (ev): -47.4838 -47.4838 -20.5220 -20.5220 -12.1713 -12.1713 -11.7930 -11.7930 4.1486 4.1486 15.0232 15.0232 16.2993 16.2993 16.9919 16.9919 17.3268 17.3268 23.9770 23.9770 25.1182 25.1182 25.6861 25.6861 26.5855 26.5855 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -47.4838 -47.4838 -20.5220 -20.5220 -12.1714 -12.1714 -11.7928 -11.7928 4.1475 4.1475 15.0239 15.0239 16.3073 16.3073 16.9890 16.9890 17.3255 17.3255 23.9712 23.9712 25.1197 25.1197 25.6880 25.6880 26.5836 26.5836 Writing output data file TaN.save init_run : 0.10s CPU 0.29s WALL ( 1 calls) electrons : 30.72s CPU 31.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 30.71s CPU 31.88s 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 : 0.02s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 474 calls) cegterg : 27.40s CPU 28.02s WALL ( 474 calls) Called by sum_band: Called by *egterg: h_psi : 12.27s CPU 12.67s WALL ( 5341 calls) s_psi : 0.48s CPU 0.47s WALL ( 5341 calls) g_psi : 0.01s CPU 0.02s WALL ( 4393 calls) cdiaghg : 15.02s CPU 15.18s WALL ( 4867 calls) cegterg:over : 0.70s CPU 0.83s WALL ( 4393 calls) cegterg:upda : 0.50s CPU 0.56s WALL ( 4393 calls) cegterg:last : 0.27s CPU 0.24s WALL ( 961 calls) cdiaghg:chol : 0.80s CPU 0.75s WALL ( 4867 calls) cdiaghg:inve : 0.27s CPU 0.27s WALL ( 4867 calls) cdiaghg:para : 0.90s CPU 0.97s WALL ( 9734 calls) Called by h_psi: h_psi:vloc : 11.06s CPU 11.51s WALL ( 5341 calls) h_psi:vnl : 1.19s CPU 1.14s WALL ( 5341 calls) add_vuspsi : 0.56s CPU 0.62s WALL ( 5341 calls) General routines calbec : 0.61s CPU 0.51s WALL ( 5341 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 10.48s CPU 10.91s WALL ( 369416 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.28s WALL ( 948 calls) Parallel routines fft_scatter : 5.83s CPU 6.18s WALL ( 369439 calls) PWSCF : 38.40s CPU 54.80s WALL This run was terminated on: 20:57: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=