Program PWSCF v.5.1.1 starts on 27Aug2015 at 20:32:12 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./VN.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 9 3 809 125 22 Max 32 10 4 815 139 25 Sum 1519 451 151 38949 6303 1139 bravais-lattice index = 14 lattice parameter (alat) = 5.8367 a.u. unit-cell volume = 140.5997 (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 = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.836688 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 N read from file: /home/autes/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 PseudoPot. # 2 for V read from file: /home/autes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 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 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) V 13.00 50.94150 V( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 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 inv. 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 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 477 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 2) = ( 0.0069444 -0.0040094 0.0056701), wk = 0.0020964 k( 3) = ( 0.0138889 -0.0080188 0.0113402), wk = 0.0020964 k( 4) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0020964 k( 5) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0020964 k( 6) = ( 0.0347222 -0.0200469 0.0283506), wk = 0.0020964 k( 7) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0020964 k( 8) = ( 0.0486111 -0.0280656 0.0396908), wk = 0.0020964 k( 9) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0020964 k( 10) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0020964 k( 11) = ( 0.0694444 -0.0400938 0.0567011), wk = 0.0020964 k( 12) = ( 0.0763889 -0.0441031 0.0623713), wk = 0.0020964 k( 13) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0020964 k( 14) = ( 0.0902778 -0.0521219 0.0737115), wk = 0.0020964 k( 15) = ( 0.0972222 -0.0561313 0.0793816), wk = 0.0020964 k( 16) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0020964 k( 17) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0020964 k( 18) = ( 0.1180556 -0.0681594 0.0963920), wk = 0.0020964 k( 19) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0020964 k( 20) = ( 0.1319444 -0.0761782 0.1077322), wk = 0.0020964 k( 21) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0020964 k( 22) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0020964 k( 23) = ( 0.1527778 -0.0882063 0.1247425), wk = 0.0020964 k( 24) = ( 0.1597222 -0.0922157 0.1304126), wk = 0.0020964 k( 25) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0020964 k( 26) = ( 0.1736111 -0.1002344 0.1417529), wk = 0.0020964 k( 27) = ( 0.1805556 -0.1042438 0.1474230), wk = 0.0020964 k( 28) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0020964 k( 29) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0020964 k( 30) = ( 0.2013889 -0.1162719 0.1644333), wk = 0.0020964 k( 31) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0020964 k( 32) = ( 0.2152778 -0.1242907 0.1757736), wk = 0.0020964 k( 33) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0020964 k( 34) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0020964 k( 35) = ( 0.2361111 -0.1363188 0.1927839), wk = 0.0020964 k( 36) = ( 0.2430556 -0.1403282 0.1984540), wk = 0.0020964 k( 37) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020964 k( 38) = ( 0.2569444 -0.1483469 0.2097943), wk = 0.0020964 k( 39) = ( 0.2638889 -0.1523563 0.2154644), wk = 0.0020964 k( 40) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0020964 k( 41) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0020964 k( 42) = ( 0.2847222 -0.1643845 0.2324747), wk = 0.0020964 k( 43) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0020964 k( 44) = ( 0.2986111 -0.1724032 0.2438150), wk = 0.0020964 k( 45) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0020964 k( 46) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0020964 k( 47) = ( 0.3194444 -0.1844313 0.2608253), wk = 0.0020964 k( 48) = ( 0.3263889 -0.1884407 0.2664954), wk = 0.0020964 k( 49) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0020964 k( 50) = ( 0.3402778 -0.1964595 0.2778356), wk = 0.0020964 k( 51) = ( 0.3472222 -0.2004688 0.2835058), wk = 0.0020964 k( 52) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0020964 k( 53) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0020964 k( 54) = ( 0.3680556 -0.2124970 0.3005161), wk = 0.0020964 k( 55) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0020964 k( 56) = ( 0.3819444 -0.2205157 0.3118563), wk = 0.0020964 k( 57) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0020964 k( 58) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0020964 k( 59) = ( 0.4027778 -0.2325439 0.3288667), wk = 0.0020964 k( 60) = ( 0.4097222 -0.2365532 0.3345368), wk = 0.0020964 k( 61) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0020964 k( 62) = ( 0.4236111 -0.2445720 0.3458770), wk = 0.0020964 k( 63) = ( 0.4305556 -0.2485814 0.3515471), wk = 0.0020964 k( 64) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0020964 k( 65) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0020964 k( 66) = ( 0.4513889 -0.2606095 0.3685575), wk = 0.0020964 k( 67) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0020964 k( 68) = ( 0.4652778 -0.2686283 0.3798977), wk = 0.0020964 k( 69) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0020964 k( 70) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0020964 k( 71) = ( 0.4861111 -0.2806564 0.3969081), wk = 0.0020964 k( 72) = ( 0.4930556 -0.2846658 0.4025782), wk = 0.0020964 k( 73) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020964 k( 74) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020964 k( 75) = ( 0.5000000 -0.2806564 0.4139184), wk = 0.0020964 k( 76) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0020964 k( 77) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0020964 k( 78) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0020964 k( 79) = ( 0.5000000 -0.2485814 0.4365989), wk = 0.0020964 k( 80) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0020964 k( 81) = ( 0.5000000 -0.2325439 0.4479391), wk = 0.0020964 k( 82) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0020964 k( 83) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0020964 k( 84) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0020964 k( 85) = ( 0.5000000 -0.2004688 0.4706196), wk = 0.0020964 k( 86) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0020964 k( 87) = ( 0.5000000 -0.1844313 0.4819598), wk = 0.0020964 k( 88) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0020964 k( 89) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0020964 k( 90) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0020964 k( 91) = ( 0.5000000 -0.1523563 0.5046403), wk = 0.0020964 k( 92) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0020964 k( 93) = ( 0.5000000 -0.1363188 0.5159805), wk = 0.0020964 k( 94) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0020964 k( 95) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0020964 k( 96) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0020964 k( 97) = ( 0.5000000 -0.1042438 0.5386609), wk = 0.0020964 k( 98) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0020964 k( 99) = ( 0.5000000 -0.0882063 0.5500012), wk = 0.0020964 k( 100) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0020964 k( 101) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0020964 k( 102) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0020964 k( 103) = ( 0.5000000 -0.0561313 0.5726816), wk = 0.0020964 k( 104) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0020964 k( 105) = ( 0.5000000 -0.0400938 0.5840219), wk = 0.0020964 k( 106) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0020964 k( 107) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0020964 k( 108) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0020964 k( 109) = ( 0.5000000 -0.0080187 0.6067023), wk = 0.0020964 k( 110) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020964 k( 111) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020964 k( 112) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0020964 k( 113) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0020964 k( 114) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0020964 k( 115) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0020964 k( 116) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0020964 k( 117) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0020964 k( 118) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0020964 k( 119) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0020964 k( 120) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0020964 k( 121) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0020964 k( 122) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0020964 k( 123) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0020964 k( 124) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0020964 k( 125) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0020964 k( 126) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0020964 k( 127) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0020964 k( 128) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0020964 k( 129) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0020964 k( 130) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0020964 k( 131) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0020964 k( 132) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0020964 k( 133) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0020964 k( 134) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0020964 k( 135) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0020964 k( 136) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0020964 k( 137) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020964 k( 138) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020964 k( 139) = ( 0.3701299 0.2136946 0.6044195), wk = 0.0020964 k( 140) = ( 0.3652597 0.2108828 0.5964667), wk = 0.0020964 k( 141) = ( 0.3603896 0.2080710 0.5885138), wk = 0.0020964 k( 142) = ( 0.3555195 0.2052593 0.5805609), wk = 0.0020964 k( 143) = ( 0.3506494 0.2024475 0.5726080), wk = 0.0020964 k( 144) = ( 0.3457792 0.1996357 0.5646551), wk = 0.0020964 k( 145) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0020964 k( 146) = ( 0.3360390 0.1940122 0.5487493), wk = 0.0020964 k( 147) = ( 0.3311688 0.1912004 0.5407964), wk = 0.0020964 k( 148) = ( 0.3262987 0.1883886 0.5328435), wk = 0.0020964 k( 149) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0020964 k( 150) = ( 0.3165584 0.1827651 0.5169378), wk = 0.0020964 k( 151) = ( 0.3116883 0.1799533 0.5089849), wk = 0.0020964 k( 152) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0020964 k( 153) = ( 0.3019481 0.1743298 0.4930791), wk = 0.0020964 k( 154) = ( 0.2970779 0.1715180 0.4851262), wk = 0.0020964 k( 155) = ( 0.2922078 0.1687062 0.4771733), wk = 0.0020964 k( 156) = ( 0.2873377 0.1658945 0.4692204), wk = 0.0020964 k( 157) = ( 0.2824675 0.1630827 0.4612675), wk = 0.0020964 k( 158) = ( 0.2775974 0.1602709 0.4533147), wk = 0.0020964 k( 159) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0020964 k( 160) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0020964 k( 161) = ( 0.2629870 0.1518356 0.4294560), wk = 0.0020964 k( 162) = ( 0.2581169 0.1490239 0.4215031), wk = 0.0020964 k( 163) = ( 0.2532468 0.1462121 0.4135502), wk = 0.0020964 k( 164) = ( 0.2483766 0.1434003 0.4055973), wk = 0.0020964 k( 165) = ( 0.2435065 0.1405885 0.3976444), wk = 0.0020964 k( 166) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0020964 k( 167) = ( 0.2337662 0.1349650 0.3817387), wk = 0.0020964 k( 168) = ( 0.2288961 0.1321532 0.3737858), wk = 0.0020964 k( 169) = ( 0.2240260 0.1293415 0.3658329), wk = 0.0020964 k( 170) = ( 0.2191558 0.1265297 0.3578800), wk = 0.0020964 k( 171) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0020964 k( 172) = ( 0.2094156 0.1209061 0.3419742), wk = 0.0020964 k( 173) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0020964 k( 174) = ( 0.1996753 0.1152826 0.3260684), wk = 0.0020964 k( 175) = ( 0.1948052 0.1124708 0.3181156), wk = 0.0020964 k( 176) = ( 0.1899351 0.1096591 0.3101627), wk = 0.0020964 k( 177) = ( 0.1850649 0.1068473 0.3022098), wk = 0.0020964 k( 178) = ( 0.1801948 0.1040355 0.2942569), wk = 0.0020964 k( 179) = ( 0.1753247 0.1012238 0.2863040), wk = 0.0020964 k( 180) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0020964 k( 181) = ( 0.1655844 0.0956002 0.2703982), wk = 0.0020964 k( 182) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0020964 k( 183) = ( 0.1558442 0.0899767 0.2544924), wk = 0.0020964 k( 184) = ( 0.1509740 0.0871649 0.2465395), wk = 0.0020964 k( 185) = ( 0.1461039 0.0843531 0.2385867), wk = 0.0020964 k( 186) = ( 0.1412338 0.0815414 0.2306338), wk = 0.0020964 k( 187) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0020964 k( 188) = ( 0.1314935 0.0759178 0.2147280), wk = 0.0020964 k( 189) = ( 0.1266234 0.0731060 0.2067751), wk = 0.0020964 k( 190) = ( 0.1217532 0.0702943 0.1988222), wk = 0.0020964 k( 191) = ( 0.1168831 0.0674825 0.1908693), wk = 0.0020964 k( 192) = ( 0.1120130 0.0646707 0.1829164), wk = 0.0020964 k( 193) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0020964 k( 194) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0020964 k( 195) = ( 0.0974026 0.0562354 0.1590578), wk = 0.0020964 k( 196) = ( 0.0925325 0.0534236 0.1511049), wk = 0.0020964 k( 197) = ( 0.0876623 0.0506119 0.1431520), wk = 0.0020964 k( 198) = ( 0.0827922 0.0478001 0.1351991), wk = 0.0020964 k( 199) = ( 0.0779221 0.0449883 0.1272462), wk = 0.0020964 k( 200) = ( 0.0730520 0.0421766 0.1192933), wk = 0.0020964 k( 201) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0020964 k( 202) = ( 0.0633117 0.0365530 0.1033876), wk = 0.0020964 k( 203) = ( 0.0584416 0.0337413 0.0954347), wk = 0.0020964 k( 204) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0020964 k( 205) = ( 0.0487013 0.0281177 0.0795289), wk = 0.0020964 k( 206) = ( 0.0438312 0.0253059 0.0715760), wk = 0.0020964 k( 207) = ( 0.0389610 0.0224942 0.0636231), wk = 0.0020964 k( 208) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0020964 k( 209) = ( 0.0292208 0.0168706 0.0477173), wk = 0.0020964 k( 210) = ( 0.0243507 0.0140589 0.0397644), wk = 0.0020964 k( 211) = ( 0.0194805 0.0112471 0.0318116), wk = 0.0020964 k( 212) = ( 0.0146104 0.0084353 0.0238587), wk = 0.0020964 k( 213) = ( 0.0097403 0.0056235 0.0159058), wk = 0.0020964 k( 214) = ( 0.0048701 0.0028118 0.0079529), wk = 0.0020964 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 217) = ( 0.0079365 0.0045821 0.0032401), wk = 0.0020964 k( 218) = ( 0.0158730 0.0091643 0.0064801), wk = 0.0020964 k( 219) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0020964 k( 220) = ( 0.0317460 0.0183286 0.0129603), wk = 0.0020964 k( 221) = ( 0.0396825 0.0229107 0.0162003), wk = 0.0020964 k( 222) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0020964 k( 223) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0020964 k( 224) = ( 0.0634921 0.0366572 0.0259205), wk = 0.0020964 k( 225) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0020964 k( 226) = ( 0.0793651 0.0458215 0.0324007), wk = 0.0020964 k( 227) = ( 0.0873016 0.0504036 0.0356407), wk = 0.0020964 k( 228) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0020964 k( 229) = ( 0.1031746 0.0595679 0.0421209), wk = 0.0020964 k( 230) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0020964 k( 231) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0020964 k( 232) = ( 0.1269841 0.0733143 0.0518411), wk = 0.0020964 k( 233) = ( 0.1349206 0.0778965 0.0550811), wk = 0.0020964 k( 234) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0020964 k( 235) = ( 0.1507937 0.0870608 0.0615612), wk = 0.0020964 k( 236) = ( 0.1587302 0.0916429 0.0648013), wk = 0.0020964 k( 237) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0020964 k( 238) = ( 0.1746032 0.1008072 0.0712814), wk = 0.0020964 k( 239) = ( 0.1825397 0.1053893 0.0745215), wk = 0.0020964 k( 240) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0020964 k( 241) = ( 0.1984127 0.1145536 0.0810016), wk = 0.0020964 k( 242) = ( 0.2063492 0.1191358 0.0842417), wk = 0.0020964 k( 243) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0020964 k( 244) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0020964 k( 245) = ( 0.2301587 0.1328822 0.0939619), wk = 0.0020964 k( 246) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0020964 k( 247) = ( 0.2460317 0.1420465 0.1004420), wk = 0.0020964 k( 248) = ( 0.2539683 0.1466286 0.1036821), wk = 0.0020964 k( 249) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0020964 k( 250) = ( 0.2698413 0.1557929 0.1101622), wk = 0.0020964 k( 251) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0020964 k( 252) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0020964 k( 253) = ( 0.2936508 0.1695394 0.1198824), wk = 0.0020964 k( 254) = ( 0.3015873 0.1741215 0.1231225), wk = 0.0020964 k( 255) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0020964 k( 256) = ( 0.3174603 0.1832858 0.1296026), wk = 0.0020964 k( 257) = ( 0.3253968 0.1878679 0.1328427), wk = 0.0020964 k( 258) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0020964 k( 259) = ( 0.3412698 0.1970322 0.1393228), wk = 0.0020964 k( 260) = ( 0.3492063 0.2016144 0.1425629), wk = 0.0020964 k( 261) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0020964 k( 262) = ( 0.3650794 0.2107787 0.1490430), wk = 0.0020964 k( 263) = ( 0.3730159 0.2153608 0.1522831), wk = 0.0020964 k( 264) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0020964 k( 265) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0020964 k( 266) = ( 0.3968254 0.2291073 0.1620033), wk = 0.0020964 k( 267) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0020964 k( 268) = ( 0.4126984 0.2382715 0.1684834), wk = 0.0020964 k( 269) = ( 0.4206349 0.2428537 0.1717235), wk = 0.0020964 k( 270) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0020964 k( 271) = ( 0.4365079 0.2520180 0.1782036), wk = 0.0020964 k( 272) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0020964 k( 273) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0020964 k( 274) = ( 0.4603175 0.2657644 0.1879238), wk = 0.0020964 k( 275) = ( 0.4682540 0.2703466 0.1911639), wk = 0.0020964 k( 276) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0020964 k( 277) = ( 0.4841270 0.2795108 0.1976440), wk = 0.0020964 k( 278) = ( 0.4920635 0.2840930 0.2008841), wk = 0.0020964 k( 279) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020964 k( 280) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020964 k( 281) = ( 0.5027778 0.2806564 0.2086602), wk = 0.0020964 k( 282) = ( 0.5055556 0.2726376 0.2131963), wk = 0.0020964 k( 283) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0020964 k( 284) = ( 0.5111111 0.2566001 0.2222685), wk = 0.0020964 k( 285) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0020964 k( 286) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0020964 k( 287) = ( 0.5194444 0.2325439 0.2358768), wk = 0.0020964 k( 288) = ( 0.5222222 0.2245251 0.2404129), wk = 0.0020964 k( 289) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0020964 k( 290) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0020964 k( 291) = ( 0.5305556 0.2004688 0.2540212), wk = 0.0020964 k( 292) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0020964 k( 293) = ( 0.5361111 0.1844313 0.2630933), wk = 0.0020964 k( 294) = ( 0.5388889 0.1764126 0.2676294), wk = 0.0020964 k( 295) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0020964 k( 296) = ( 0.5444444 0.1603751 0.2767016), wk = 0.0020964 k( 297) = ( 0.5472222 0.1523563 0.2812377), wk = 0.0020964 k( 298) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0020964 k( 299) = ( 0.5527778 0.1363188 0.2903099), wk = 0.0020964 k( 300) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0020964 k( 301) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0020964 k( 302) = ( 0.5611111 0.1122626 0.3039182), wk = 0.0020964 k( 303) = ( 0.5638889 0.1042438 0.3084543), wk = 0.0020964 k( 304) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0020964 k( 305) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0020964 k( 306) = ( 0.5722222 0.0801875 0.3220625), wk = 0.0020964 k( 307) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0020964 k( 308) = ( 0.5777778 0.0641500 0.3311347), wk = 0.0020964 k( 309) = ( 0.5805556 0.0561313 0.3356708), wk = 0.0020964 k( 310) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0020964 k( 311) = ( 0.5861111 0.0400938 0.3447430), wk = 0.0020964 k( 312) = ( 0.5888889 0.0320750 0.3492791), wk = 0.0020964 k( 313) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0020964 k( 314) = ( 0.5944444 0.0160375 0.3583513), wk = 0.0020964 k( 315) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0020964 k( 316) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0020964 k( 317) = ( 0.6027778 -0.0080188 0.3719596), wk = 0.0020964 k( 318) = ( 0.6055556 -0.0160375 0.3764956), wk = 0.0020964 k( 319) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0020964 k( 320) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0020964 k( 321) = ( 0.6138889 -0.0400938 0.3901039), wk = 0.0020964 k( 322) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0020964 k( 323) = ( 0.6194444 -0.0561313 0.3991761), wk = 0.0020964 k( 324) = ( 0.6222222 -0.0641500 0.4037122), wk = 0.0020964 k( 325) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020964 k( 326) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020964 k( 327) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0020964 k( 328) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0020964 k( 329) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0020964 k( 330) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0020964 k( 331) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0020964 k( 332) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0020964 k( 333) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0020964 k( 334) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0020964 k( 335) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0020964 k( 336) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0020964 k( 337) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0020964 k( 338) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0020964 k( 339) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0020964 k( 340) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0020964 k( 341) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0020964 k( 342) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0020964 k( 343) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0020964 k( 344) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0020964 k( 345) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0020964 k( 346) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0020964 k( 347) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0020964 k( 348) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0020964 k( 349) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0020964 k( 350) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0020964 k( 351) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0020964 k( 352) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020964 k( 353) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020964 k( 354) = ( 0.5000000 0.0056603 0.6043676), wk = 0.0020964 k( 355) = ( 0.5000000 0.0113206 0.5963627), wk = 0.0020964 k( 356) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0020964 k( 357) = ( 0.5000000 0.0226412 0.5803530), wk = 0.0020964 k( 358) = ( 0.5000000 0.0283015 0.5723481), wk = 0.0020964 k( 359) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0020964 k( 360) = ( 0.5000000 0.0396221 0.5563383), wk = 0.0020964 k( 361) = ( 0.5000000 0.0452824 0.5483335), wk = 0.0020964 k( 362) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0020964 k( 363) = ( 0.5000000 0.0566030 0.5323237), wk = 0.0020964 k( 364) = ( 0.5000000 0.0622633 0.5243189), wk = 0.0020964 k( 365) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0020964 k( 366) = ( 0.5000000 0.0735839 0.5083091), wk = 0.0020964 k( 367) = ( 0.5000000 0.0792442 0.5003043), wk = 0.0020964 k( 368) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0020964 k( 369) = ( 0.5000000 0.0905647 0.4842945), wk = 0.0020964 k( 370) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0020964 k( 371) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0020964 k( 372) = ( 0.5000000 0.1075456 0.4602799), wk = 0.0020964 k( 373) = ( 0.5000000 0.1132059 0.4522751), wk = 0.0020964 k( 374) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0020964 k( 375) = ( 0.5000000 0.1245265 0.4362653), wk = 0.0020964 k( 376) = ( 0.5000000 0.1301868 0.4282605), wk = 0.0020964 k( 377) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0020964 k( 378) = ( 0.5000000 0.1415074 0.4122507), wk = 0.0020964 k( 379) = ( 0.5000000 0.1471677 0.4042459), wk = 0.0020964 k( 380) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0020964 k( 381) = ( 0.5000000 0.1584883 0.3882361), wk = 0.0020964 k( 382) = ( 0.5000000 0.1641486 0.3802313), wk = 0.0020964 k( 383) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0020964 k( 384) = ( 0.5000000 0.1754692 0.3642215), wk = 0.0020964 k( 385) = ( 0.5000000 0.1811295 0.3562166), wk = 0.0020964 k( 386) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0020964 k( 387) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0020964 k( 388) = ( 0.5000000 0.1981104 0.3322020), wk = 0.0020964 k( 389) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0020964 k( 390) = ( 0.5000000 0.2094310 0.3161923), wk = 0.0020964 k( 391) = ( 0.5000000 0.2150913 0.3081874), wk = 0.0020964 k( 392) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0020964 k( 393) = ( 0.5000000 0.2264119 0.2921777), wk = 0.0020964 k( 394) = ( 0.5000000 0.2320722 0.2841728), wk = 0.0020964 k( 395) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0020964 k( 396) = ( 0.5000000 0.2433928 0.2681631), wk = 0.0020964 k( 397) = ( 0.5000000 0.2490531 0.2601582), wk = 0.0020964 k( 398) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0020964 k( 399) = ( 0.5000000 0.2603737 0.2441485), wk = 0.0020964 k( 400) = ( 0.5000000 0.2660340 0.2361436), wk = 0.0020964 k( 401) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0020964 k( 402) = ( 0.5000000 0.2773545 0.2201339), wk = 0.0020964 k( 403) = ( 0.5000000 0.2830148 0.2121290), wk = 0.0020964 k( 404) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020964 k( 405) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020964 k( 406) = ( 0.4972222 0.2870714 0.2131963), wk = 0.0020964 k( 407) = ( 0.4944444 0.2854676 0.2222685), wk = 0.0020964 k( 408) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0020964 k( 409) = ( 0.4888889 0.2822601 0.2404129), wk = 0.0020964 k( 410) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0020964 k( 411) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0020964 k( 412) = ( 0.4805556 0.2774489 0.2676294), wk = 0.0020964 k( 413) = ( 0.4777778 0.2758451 0.2767016), wk = 0.0020964 k( 414) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0020964 k( 415) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0020964 k( 416) = ( 0.4694444 0.2710339 0.3039182), wk = 0.0020964 k( 417) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0020964 k( 418) = ( 0.4638889 0.2678264 0.3220625), wk = 0.0020964 k( 419) = ( 0.4611111 0.2662226 0.3311347), wk = 0.0020964 k( 420) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0020964 k( 421) = ( 0.4555556 0.2630151 0.3492791), wk = 0.0020964 k( 422) = ( 0.4527778 0.2614114 0.3583513), wk = 0.0020964 k( 423) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0020964 k( 424) = ( 0.4472222 0.2582039 0.3764957), wk = 0.0020964 k( 425) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0020964 k( 426) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0020964 k( 427) = ( 0.4388889 0.2533926 0.4037122), wk = 0.0020964 k( 428) = ( 0.4361111 0.2517889 0.4127844), wk = 0.0020964 k( 429) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0020964 k( 430) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0020964 k( 431) = ( 0.4277778 0.2469776 0.4400009), wk = 0.0020964 k( 432) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0020964 k( 433) = ( 0.4222222 0.2437701 0.4581453), wk = 0.0020964 k( 434) = ( 0.4194444 0.2421664 0.4672175), wk = 0.0020964 k( 435) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0020964 k( 436) = ( 0.4138889 0.2389589 0.4853619), wk = 0.0020964 k( 437) = ( 0.4111111 0.2373551 0.4944340), wk = 0.0020964 k( 438) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0020964 k( 439) = ( 0.4055556 0.2341476 0.5125784), wk = 0.0020964 k( 440) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0020964 k( 441) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0020964 k( 442) = ( 0.3972222 0.2293364 0.5397950), wk = 0.0020964 k( 443) = ( 0.3944444 0.2277326 0.5488671), wk = 0.0020964 k( 444) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0020964 k( 445) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0020964 k( 446) = ( 0.3861111 0.2229214 0.5760837), wk = 0.0020964 k( 447) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0020964 k( 448) = ( 0.3805556 0.2197139 0.5942281), wk = 0.0020964 k( 449) = ( 0.3777778 0.2181101 0.6033002), wk = 0.0020964 k( 450) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020964 k( 451) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020964 k( 452) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0020964 k( 453) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0020964 k( 454) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0020964 k( 455) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0020964 k( 456) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0020964 k( 457) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0020964 k( 458) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0020964 k( 459) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0020964 k( 460) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0020964 k( 461) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0020964 k( 462) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0020964 k( 463) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0020964 k( 464) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0020964 k( 465) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0020964 k( 466) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0020964 k( 467) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0020964 k( 468) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0020964 k( 469) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0020964 k( 470) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0020964 k( 471) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0020964 k( 472) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0020964 k( 473) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0020964 k( 474) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0020964 k( 475) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0020964 k( 476) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0020964 k( 477) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020964 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 2) = ( 0.0069444 -0.0000000 0.0069444), wk = 0.0020964 k( 3) = ( 0.0138889 -0.0000000 0.0138889), wk = 0.0020964 k( 4) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0020964 k( 5) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0020964 k( 6) = ( 0.0347222 -0.0000000 0.0347222), wk = 0.0020964 k( 7) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0020964 k( 8) = ( 0.0486111 0.0000000 0.0486111), wk = 0.0020964 k( 9) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0020964 k( 10) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0020964 k( 11) = ( 0.0694444 -0.0000000 0.0694444), wk = 0.0020964 k( 12) = ( 0.0763889 0.0000000 0.0763889), wk = 0.0020964 k( 13) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0020964 k( 14) = ( 0.0902778 -0.0000000 0.0902778), wk = 0.0020964 k( 15) = ( 0.0972222 0.0000000 0.0972222), wk = 0.0020964 k( 16) = ( 0.1041667 0.0000000 0.1041667), wk = 0.0020964 k( 17) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0020964 k( 18) = ( 0.1180556 -0.0000000 0.1180556), wk = 0.0020964 k( 19) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0020964 k( 20) = ( 0.1319444 0.0000000 0.1319444), wk = 0.0020964 k( 21) = ( 0.1388889 -0.0000000 0.1388889), wk = 0.0020964 k( 22) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0020964 k( 23) = ( 0.1527778 0.0000000 0.1527778), wk = 0.0020964 k( 24) = ( 0.1597222 -0.0000000 0.1597222), wk = 0.0020964 k( 25) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0020964 k( 26) = ( 0.1736111 0.0000000 0.1736111), wk = 0.0020964 k( 27) = ( 0.1805556 -0.0000000 0.1805556), wk = 0.0020964 k( 28) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0020964 k( 29) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0020964 k( 30) = ( 0.2013889 0.0000000 0.2013889), wk = 0.0020964 k( 31) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0020964 k( 32) = ( 0.2152778 0.0000000 0.2152778), wk = 0.0020964 k( 33) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0020964 k( 34) = ( 0.2291667 0.0000000 0.2291667), wk = 0.0020964 k( 35) = ( 0.2361111 0.0000000 0.2361111), wk = 0.0020964 k( 36) = ( 0.2430556 -0.0000000 0.2430556), wk = 0.0020964 k( 37) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020964 k( 38) = ( 0.2569444 0.0000000 0.2569444), wk = 0.0020964 k( 39) = ( 0.2638889 0.0000000 0.2638889), wk = 0.0020964 k( 40) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0020964 k( 41) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0020964 k( 42) = ( 0.2847222 0.0000000 0.2847222), wk = 0.0020964 k( 43) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0020964 k( 44) = ( 0.2986111 -0.0000000 0.2986111), wk = 0.0020964 k( 45) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0020964 k( 46) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0020964 k( 47) = ( 0.3194444 -0.0000000 0.3194444), wk = 0.0020964 k( 48) = ( 0.3263889 0.0000000 0.3263889), wk = 0.0020964 k( 49) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0020964 k( 50) = ( 0.3402778 -0.0000000 0.3402778), wk = 0.0020964 k( 51) = ( 0.3472222 0.0000000 0.3472222), wk = 0.0020964 k( 52) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0020964 k( 53) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0020964 k( 54) = ( 0.3680556 -0.0000000 0.3680556), wk = 0.0020964 k( 55) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0020964 k( 56) = ( 0.3819444 0.0000000 0.3819444), wk = 0.0020964 k( 57) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0020964 k( 58) = ( 0.3958333 0.0000000 0.3958333), wk = 0.0020964 k( 59) = ( 0.4027778 0.0000000 0.4027778), wk = 0.0020964 k( 60) = ( 0.4097222 0.0000000 0.4097222), wk = 0.0020964 k( 61) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0020964 k( 62) = ( 0.4236111 0.0000000 0.4236111), wk = 0.0020964 k( 63) = ( 0.4305556 0.0000000 0.4305556), wk = 0.0020964 k( 64) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0020964 k( 65) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0020964 k( 66) = ( 0.4513889 -0.0000000 0.4513889), wk = 0.0020964 k( 67) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0020964 k( 68) = ( 0.4652778 0.0000000 0.4652778), wk = 0.0020964 k( 69) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0020964 k( 70) = ( 0.4791667 0.0000000 0.4791667), wk = 0.0020964 k( 71) = ( 0.4861111 -0.0000000 0.4861111), wk = 0.0020964 k( 72) = ( 0.4930556 0.0000000 0.4930556), wk = 0.0020964 k( 73) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020964 k( 74) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020964 k( 75) = ( 0.5000000 0.0069444 0.5069444), wk = 0.0020964 k( 76) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0020964 k( 77) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0020964 k( 78) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0020964 k( 79) = ( 0.5000000 0.0347222 0.5347222), wk = 0.0020964 k( 80) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0020964 k( 81) = ( 0.5000000 0.0486111 0.5486111), wk = 0.0020964 k( 82) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0020964 k( 83) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0020964 k( 84) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0020964 k( 85) = ( 0.5000000 0.0763889 0.5763889), wk = 0.0020964 k( 86) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0020964 k( 87) = ( 0.5000000 0.0902778 0.5902778), wk = 0.0020964 k( 88) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0020964 k( 89) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0020964 k( 90) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0020964 k( 91) = ( 0.5000000 0.1180556 0.6180556), wk = 0.0020964 k( 92) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0020964 k( 93) = ( 0.5000000 0.1319444 0.6319444), wk = 0.0020964 k( 94) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0020964 k( 95) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0020964 k( 96) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0020964 k( 97) = ( 0.5000000 0.1597222 0.6597222), wk = 0.0020964 k( 98) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0020964 k( 99) = ( 0.5000000 0.1736111 0.6736111), wk = 0.0020964 k( 100) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0020964 k( 101) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0020964 k( 102) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0020964 k( 103) = ( 0.5000000 0.2013889 0.7013889), wk = 0.0020964 k( 104) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0020964 k( 105) = ( 0.5000000 0.2152778 0.7152778), wk = 0.0020964 k( 106) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0020964 k( 107) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0020964 k( 108) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0020964 k( 109) = ( 0.5000000 0.2430556 0.7430556), wk = 0.0020964 k( 110) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020964 k( 111) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020964 k( 112) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0020964 k( 113) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0020964 k( 114) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0020964 k( 115) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0020964 k( 116) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0020964 k( 117) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0020964 k( 118) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0020964 k( 119) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0020964 k( 120) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0020964 k( 121) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0020964 k( 122) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0020964 k( 123) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0020964 k( 124) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0020964 k( 125) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0020964 k( 126) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0020964 k( 127) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0020964 k( 128) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0020964 k( 129) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0020964 k( 130) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0020964 k( 131) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0020964 k( 132) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0020964 k( 133) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0020964 k( 134) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0020964 k( 135) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0020964 k( 136) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0020964 k( 137) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020964 k( 138) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020964 k( 139) = ( 0.3701299 0.3701299 0.7402597), wk = 0.0020964 k( 140) = ( 0.3652597 0.3652597 0.7305195), wk = 0.0020964 k( 141) = ( 0.3603896 0.3603896 0.7207792), wk = 0.0020964 k( 142) = ( 0.3555195 0.3555195 0.7110390), wk = 0.0020964 k( 143) = ( 0.3506494 0.3506494 0.7012987), wk = 0.0020964 k( 144) = ( 0.3457792 0.3457792 0.6915584), wk = 0.0020964 k( 145) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0020964 k( 146) = ( 0.3360390 0.3360390 0.6720779), wk = 0.0020964 k( 147) = ( 0.3311688 0.3311688 0.6623377), wk = 0.0020964 k( 148) = ( 0.3262987 0.3262987 0.6525974), wk = 0.0020964 k( 149) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0020964 k( 150) = ( 0.3165584 0.3165584 0.6331169), wk = 0.0020964 k( 151) = ( 0.3116883 0.3116883 0.6233766), wk = 0.0020964 k( 152) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0020964 k( 153) = ( 0.3019481 0.3019481 0.6038961), wk = 0.0020964 k( 154) = ( 0.2970779 0.2970779 0.5941558), wk = 0.0020964 k( 155) = ( 0.2922078 0.2922078 0.5844156), wk = 0.0020964 k( 156) = ( 0.2873377 0.2873377 0.5746753), wk = 0.0020964 k( 157) = ( 0.2824675 0.2824675 0.5649351), wk = 0.0020964 k( 158) = ( 0.2775974 0.2775974 0.5551948), wk = 0.0020964 k( 159) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0020964 k( 160) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0020964 k( 161) = ( 0.2629870 0.2629870 0.5259740), wk = 0.0020964 k( 162) = ( 0.2581169 0.2581169 0.5162338), wk = 0.0020964 k( 163) = ( 0.2532468 0.2532468 0.5064935), wk = 0.0020964 k( 164) = ( 0.2483766 0.2483766 0.4967532), wk = 0.0020964 k( 165) = ( 0.2435065 0.2435065 0.4870130), wk = 0.0020964 k( 166) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0020964 k( 167) = ( 0.2337662 0.2337662 0.4675325), wk = 0.0020964 k( 168) = ( 0.2288961 0.2288961 0.4577922), wk = 0.0020964 k( 169) = ( 0.2240260 0.2240260 0.4480519), wk = 0.0020964 k( 170) = ( 0.2191558 0.2191558 0.4383117), wk = 0.0020964 k( 171) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0020964 k( 172) = ( 0.2094156 0.2094156 0.4188312), wk = 0.0020964 k( 173) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0020964 k( 174) = ( 0.1996753 0.1996753 0.3993506), wk = 0.0020964 k( 175) = ( 0.1948052 0.1948052 0.3896104), wk = 0.0020964 k( 176) = ( 0.1899351 0.1899351 0.3798701), wk = 0.0020964 k( 177) = ( 0.1850649 0.1850649 0.3701299), wk = 0.0020964 k( 178) = ( 0.1801948 0.1801948 0.3603896), wk = 0.0020964 k( 179) = ( 0.1753247 0.1753247 0.3506494), wk = 0.0020964 k( 180) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0020964 k( 181) = ( 0.1655844 0.1655844 0.3311688), wk = 0.0020964 k( 182) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0020964 k( 183) = ( 0.1558442 0.1558442 0.3116883), wk = 0.0020964 k( 184) = ( 0.1509740 0.1509740 0.3019481), wk = 0.0020964 k( 185) = ( 0.1461039 0.1461039 0.2922078), wk = 0.0020964 k( 186) = ( 0.1412338 0.1412338 0.2824675), wk = 0.0020964 k( 187) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0020964 k( 188) = ( 0.1314935 0.1314935 0.2629870), wk = 0.0020964 k( 189) = ( 0.1266234 0.1266234 0.2532468), wk = 0.0020964 k( 190) = ( 0.1217532 0.1217532 0.2435065), wk = 0.0020964 k( 191) = ( 0.1168831 0.1168831 0.2337662), wk = 0.0020964 k( 192) = ( 0.1120130 0.1120130 0.2240260), wk = 0.0020964 k( 193) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0020964 k( 194) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0020964 k( 195) = ( 0.0974026 0.0974026 0.1948052), wk = 0.0020964 k( 196) = ( 0.0925325 0.0925325 0.1850649), wk = 0.0020964 k( 197) = ( 0.0876623 0.0876623 0.1753247), wk = 0.0020964 k( 198) = ( 0.0827922 0.0827922 0.1655844), wk = 0.0020964 k( 199) = ( 0.0779221 0.0779221 0.1558442), wk = 0.0020964 k( 200) = ( 0.0730520 0.0730520 0.1461039), wk = 0.0020964 k( 201) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0020964 k( 202) = ( 0.0633117 0.0633117 0.1266234), wk = 0.0020964 k( 203) = ( 0.0584416 0.0584416 0.1168831), wk = 0.0020964 k( 204) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0020964 k( 205) = ( 0.0487013 0.0487013 0.0974026), wk = 0.0020964 k( 206) = ( 0.0438312 0.0438312 0.0876623), wk = 0.0020964 k( 207) = ( 0.0389610 0.0389610 0.0779221), wk = 0.0020964 k( 208) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0020964 k( 209) = ( 0.0292208 0.0292208 0.0584416), wk = 0.0020964 k( 210) = ( 0.0243507 0.0243507 0.0487013), wk = 0.0020964 k( 211) = ( 0.0194805 0.0194805 0.0389610), wk = 0.0020964 k( 212) = ( 0.0146104 0.0146104 0.0292208), wk = 0.0020964 k( 213) = ( 0.0097403 0.0097403 0.0194805), wk = 0.0020964 k( 214) = ( 0.0048701 0.0048701 0.0097403), wk = 0.0020964 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 217) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0020964 k( 218) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0020964 k( 219) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0020964 k( 220) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0020964 k( 221) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0020964 k( 222) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0020964 k( 223) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0020964 k( 224) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0020964 k( 225) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0020964 k( 226) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0020964 k( 227) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0020964 k( 228) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0020964 k( 229) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0020964 k( 230) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0020964 k( 231) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0020964 k( 232) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0020964 k( 233) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0020964 k( 234) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0020964 k( 235) = ( 0.1507937 0.1507937 0.1507937), wk = 0.0020964 k( 236) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0020964 k( 237) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0020964 k( 238) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0020964 k( 239) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0020964 k( 240) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0020964 k( 241) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0020964 k( 242) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0020964 k( 243) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0020964 k( 244) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0020964 k( 245) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0020964 k( 246) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0020964 k( 247) = ( 0.2460317 0.2460317 0.2460317), wk = 0.0020964 k( 248) = ( 0.2539683 0.2539683 0.2539683), wk = 0.0020964 k( 249) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0020964 k( 250) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0020964 k( 251) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0020964 k( 252) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0020964 k( 253) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0020964 k( 254) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0020964 k( 255) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0020964 k( 256) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0020964 k( 257) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0020964 k( 258) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020964 k( 259) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0020964 k( 260) = ( 0.3492063 0.3492063 0.3492063), wk = 0.0020964 k( 261) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0020964 k( 262) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0020964 k( 263) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0020964 k( 264) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0020964 k( 265) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0020964 k( 266) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0020964 k( 267) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0020964 k( 268) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0020964 k( 269) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0020964 k( 270) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0020964 k( 271) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0020964 k( 272) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0020964 k( 273) = ( 0.4523810 0.4523810 0.4523809), wk = 0.0020964 k( 274) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0020964 k( 275) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0020964 k( 276) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0020964 k( 277) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0020964 k( 278) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0020964 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020964 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020964 k( 281) = ( 0.5027778 0.4944444 0.5027778), wk = 0.0020964 k( 282) = ( 0.5055556 0.4888889 0.5055556), wk = 0.0020964 k( 283) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0020964 k( 284) = ( 0.5111111 0.4777778 0.5111111), wk = 0.0020964 k( 285) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0020964 k( 286) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0020964 k( 287) = ( 0.5194444 0.4611111 0.5194444), wk = 0.0020964 k( 288) = ( 0.5222222 0.4555556 0.5222222), wk = 0.0020964 k( 289) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0020964 k( 290) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0020964 k( 291) = ( 0.5305556 0.4388889 0.5305556), wk = 0.0020964 k( 292) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0020964 k( 293) = ( 0.5361111 0.4277778 0.5361111), wk = 0.0020964 k( 294) = ( 0.5388889 0.4222222 0.5388889), wk = 0.0020964 k( 295) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0020964 k( 296) = ( 0.5444444 0.4111111 0.5444444), wk = 0.0020964 k( 297) = ( 0.5472222 0.4055556 0.5472222), wk = 0.0020964 k( 298) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0020964 k( 299) = ( 0.5527778 0.3944444 0.5527778), wk = 0.0020964 k( 300) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0020964 k( 301) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0020964 k( 302) = ( 0.5611111 0.3777778 0.5611111), wk = 0.0020964 k( 303) = ( 0.5638889 0.3722222 0.5638889), wk = 0.0020964 k( 304) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0020964 k( 305) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0020964 k( 306) = ( 0.5722222 0.3555556 0.5722222), wk = 0.0020964 k( 307) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0020964 k( 308) = ( 0.5777778 0.3444444 0.5777778), wk = 0.0020964 k( 309) = ( 0.5805556 0.3388889 0.5805556), wk = 0.0020964 k( 310) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0020964 k( 311) = ( 0.5861111 0.3277778 0.5861111), wk = 0.0020964 k( 312) = ( 0.5888889 0.3222222 0.5888889), wk = 0.0020964 k( 313) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0020964 k( 314) = ( 0.5944444 0.3111111 0.5944444), wk = 0.0020964 k( 315) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0020964 k( 316) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0020964 k( 317) = ( 0.6027778 0.2944444 0.6027778), wk = 0.0020964 k( 318) = ( 0.6055556 0.2888889 0.6055556), wk = 0.0020964 k( 319) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0020964 k( 320) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0020964 k( 321) = ( 0.6138889 0.2722222 0.6138889), wk = 0.0020964 k( 322) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0020964 k( 323) = ( 0.6194444 0.2611111 0.6194444), wk = 0.0020964 k( 324) = ( 0.6222222 0.2555556 0.6222222), wk = 0.0020964 k( 325) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020964 k( 326) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020964 k( 327) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0020964 k( 328) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0020964 k( 329) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0020964 k( 330) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0020964 k( 331) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0020964 k( 332) = ( 0.5961538 0.2500000 0.6538461), wk = 0.0020964 k( 333) = ( 0.5913462 0.2500000 0.6586538), wk = 0.0020964 k( 334) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0020964 k( 335) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0020964 k( 336) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0020964 k( 337) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0020964 k( 338) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0020964 k( 339) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0020964 k( 340) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0020964 k( 341) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0020964 k( 342) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0020964 k( 343) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0020964 k( 344) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0020964 k( 345) = ( 0.5336538 0.2500000 0.7163462), wk = 0.0020964 k( 346) = ( 0.5288462 0.2500000 0.7211539), wk = 0.0020964 k( 347) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0020964 k( 348) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0020964 k( 349) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0020964 k( 350) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0020964 k( 351) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0020964 k( 352) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020964 k( 353) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020964 k( 354) = ( 0.5000000 0.2549020 0.7450980), wk = 0.0020964 k( 355) = ( 0.5000000 0.2598039 0.7401961), wk = 0.0020964 k( 356) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0020964 k( 357) = ( 0.5000000 0.2696078 0.7303922), wk = 0.0020964 k( 358) = ( 0.5000000 0.2745098 0.7254902), wk = 0.0020964 k( 359) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0020964 k( 360) = ( 0.5000000 0.2843137 0.7156863), wk = 0.0020964 k( 361) = ( 0.5000000 0.2892157 0.7107843), wk = 0.0020964 k( 362) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0020964 k( 363) = ( 0.5000000 0.2990196 0.7009804), wk = 0.0020964 k( 364) = ( 0.5000000 0.3039216 0.6960784), wk = 0.0020964 k( 365) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0020964 k( 366) = ( 0.5000000 0.3137255 0.6862745), wk = 0.0020964 k( 367) = ( 0.5000000 0.3186275 0.6813725), wk = 0.0020964 k( 368) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0020964 k( 369) = ( 0.5000000 0.3284314 0.6715686), wk = 0.0020964 k( 370) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0020964 k( 371) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0020964 k( 372) = ( 0.5000000 0.3431373 0.6568627), wk = 0.0020964 k( 373) = ( 0.5000000 0.3480392 0.6519608), wk = 0.0020964 k( 374) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0020964 k( 375) = ( 0.5000000 0.3578431 0.6421569), wk = 0.0020964 k( 376) = ( 0.5000000 0.3627451 0.6372549), wk = 0.0020964 k( 377) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0020964 k( 378) = ( 0.5000000 0.3725490 0.6274510), wk = 0.0020964 k( 379) = ( 0.5000000 0.3774510 0.6225490), wk = 0.0020964 k( 380) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0020964 k( 381) = ( 0.5000000 0.3872549 0.6127451), wk = 0.0020964 k( 382) = ( 0.5000000 0.3921569 0.6078431), wk = 0.0020964 k( 383) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0020964 k( 384) = ( 0.5000000 0.4019608 0.5980392), wk = 0.0020964 k( 385) = ( 0.5000000 0.4068627 0.5931372), wk = 0.0020964 k( 386) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0020964 k( 387) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0020964 k( 388) = ( 0.5000000 0.4215686 0.5784314), wk = 0.0020964 k( 389) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0020964 k( 390) = ( 0.5000000 0.4313726 0.5686275), wk = 0.0020964 k( 391) = ( 0.5000000 0.4362745 0.5637255), wk = 0.0020964 k( 392) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0020964 k( 393) = ( 0.5000000 0.4460784 0.5539216), wk = 0.0020964 k( 394) = ( 0.5000000 0.4509804 0.5490196), wk = 0.0020964 k( 395) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0020964 k( 396) = ( 0.5000000 0.4607843 0.5392157), wk = 0.0020964 k( 397) = ( 0.5000000 0.4656863 0.5343137), wk = 0.0020964 k( 398) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0020964 k( 399) = ( 0.5000000 0.4754902 0.5245098), wk = 0.0020964 k( 400) = ( 0.5000000 0.4803922 0.5196078), wk = 0.0020964 k( 401) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0020964 k( 402) = ( 0.5000000 0.4901961 0.5098039), wk = 0.0020964 k( 403) = ( 0.5000000 0.4950980 0.5049020), wk = 0.0020964 k( 404) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020964 k( 405) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020964 k( 406) = ( 0.4972222 0.4972222 0.5055556), wk = 0.0020964 k( 407) = ( 0.4944444 0.4944444 0.5111111), wk = 0.0020964 k( 408) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0020964 k( 409) = ( 0.4888889 0.4888889 0.5222222), wk = 0.0020964 k( 410) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0020964 k( 411) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0020964 k( 412) = ( 0.4805556 0.4805556 0.5388889), wk = 0.0020964 k( 413) = ( 0.4777778 0.4777778 0.5444444), wk = 0.0020964 k( 414) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0020964 k( 415) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0020964 k( 416) = ( 0.4694444 0.4694444 0.5611111), wk = 0.0020964 k( 417) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0020964 k( 418) = ( 0.4638889 0.4638889 0.5722222), wk = 0.0020964 k( 419) = ( 0.4611111 0.4611111 0.5777778), wk = 0.0020964 k( 420) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0020964 k( 421) = ( 0.4555556 0.4555556 0.5888889), wk = 0.0020964 k( 422) = ( 0.4527778 0.4527778 0.5944444), wk = 0.0020964 k( 423) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0020964 k( 424) = ( 0.4472222 0.4472222 0.6055556), wk = 0.0020964 k( 425) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0020964 k( 426) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0020964 k( 427) = ( 0.4388889 0.4388889 0.6222222), wk = 0.0020964 k( 428) = ( 0.4361111 0.4361111 0.6277778), wk = 0.0020964 k( 429) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0020964 k( 430) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0020964 k( 431) = ( 0.4277778 0.4277778 0.6444444), wk = 0.0020964 k( 432) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0020964 k( 433) = ( 0.4222222 0.4222222 0.6555556), wk = 0.0020964 k( 434) = ( 0.4194444 0.4194444 0.6611111), wk = 0.0020964 k( 435) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0020964 k( 436) = ( 0.4138889 0.4138889 0.6722222), wk = 0.0020964 k( 437) = ( 0.4111111 0.4111111 0.6777778), wk = 0.0020964 k( 438) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0020964 k( 439) = ( 0.4055556 0.4055556 0.6888889), wk = 0.0020964 k( 440) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0020964 k( 441) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0020964 k( 442) = ( 0.3972222 0.3972222 0.7055556), wk = 0.0020964 k( 443) = ( 0.3944444 0.3944444 0.7111111), wk = 0.0020964 k( 444) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0020964 k( 445) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0020964 k( 446) = ( 0.3861111 0.3861111 0.7277778), wk = 0.0020964 k( 447) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0020964 k( 448) = ( 0.3805556 0.3805556 0.7388889), wk = 0.0020964 k( 449) = ( 0.3777778 0.3777778 0.7444444), wk = 0.0020964 k( 450) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020964 k( 451) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020964 k( 452) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0020964 k( 453) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0020964 k( 454) = ( 0.6105769 0.2211538 0.6105769), wk = 0.0020964 k( 455) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0020964 k( 456) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0020964 k( 457) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0020964 k( 458) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0020964 k( 459) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0020964 k( 460) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0020964 k( 461) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0020964 k( 462) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0020964 k( 463) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0020964 k( 464) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0020964 k( 465) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0020964 k( 466) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0020964 k( 467) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0020964 k( 468) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0020964 k( 469) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0020964 k( 470) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0020964 k( 471) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0020964 k( 472) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0020964 k( 473) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0020964 k( 474) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0020964 k( 475) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0020964 k( 476) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0020964 k( 477) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020964 Dense grid: 38949 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 6303 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 40, 26) NL pseudopotentials 0.01 Mb ( 20, 48) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 810) G-vector shells 0.00 Mb ( 314) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 40, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./VN.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 40.6 secs Computing kpt #: 2 total cpu time spent up to now is 41.0 secs Computing kpt #: 3 total cpu time spent up to now is 41.3 secs Computing kpt #: 4 total cpu time spent up to now is 41.7 secs Computing kpt #: 5 total cpu time spent up to now is 42.0 secs Computing kpt #: 6 total cpu time spent up to now is 42.3 secs Computing kpt #: 7 total cpu time spent up to now is 42.6 secs Computing kpt #: 8 total cpu time spent up to now is 43.0 secs Computing kpt #: 9 total cpu time spent up to now is 43.3 secs Computing kpt #: 10 total cpu time spent up to now is 43.7 secs Computing kpt #: 11 total cpu time spent up to now is 44.0 secs Computing kpt #: 12 total cpu time spent up to now is 44.3 secs Computing kpt #: 13 total cpu time spent up to now is 44.6 secs Computing kpt #: 14 total cpu time spent up to now is 44.9 secs Computing kpt #: 15 total cpu time spent up to now is 45.2 secs Computing kpt #: 16 total cpu time spent up to now is 45.5 secs Computing kpt #: 17 total cpu time spent up to now is 45.8 secs Computing kpt #: 18 total cpu time spent up to now is 46.1 secs Computing kpt #: 19 total cpu time spent up to now is 46.3 secs Computing kpt #: 20 total cpu time spent up to now is 46.6 secs Computing kpt #: 21 total cpu time spent up to now is 46.9 secs Computing kpt #: 22 total cpu time spent up to now is 47.2 secs Computing kpt #: 23 total cpu time spent up to now is 47.5 secs Computing kpt #: 24 total cpu time spent up to now is 47.8 secs Computing kpt #: 25 total cpu time spent up to now is 48.1 secs Computing kpt #: 26 total cpu time spent up to now is 48.5 secs Computing kpt #: 27 total cpu time spent up to now is 48.8 secs Computing kpt #: 28 total cpu time spent up to now is 49.1 secs Computing kpt #: 29 total cpu time spent up to now is 49.3 secs Computing kpt #: 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Computing kpt #: 77 total cpu time spent up to now is 61.9 secs Computing kpt #: 78 total cpu time spent up to now is 62.2 secs Computing kpt #: 79 total cpu time spent up to now is 62.4 secs Computing kpt #: 80 total cpu time spent up to now is 62.6 secs Computing kpt #: 81 total cpu time spent up to now is 62.9 secs Computing kpt #: 82 total cpu time spent up to now is 63.1 secs Computing kpt #: 83 total cpu time spent up to now is 63.5 secs Computing kpt #: 84 total cpu time spent up to now is 63.9 secs Computing kpt #: 85 total cpu time spent up to now is 64.3 secs Computing kpt #: 86 total cpu time spent up to now is 64.8 secs Computing kpt #: 87 total cpu time spent up to now is 65.1 secs Computing kpt #: 88 total cpu time spent up to now is 65.5 secs Computing kpt #: 89 total cpu time spent up to now is 65.9 secs Computing kpt #: 90 total cpu time spent up to now is 66.3 secs Computing kpt #: 91 total cpu time spent up to now is 66.7 secs Computing kpt #: 92 total cpu time spent 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secs Computing kpt #: 139 total cpu time spent up to now is 79.8 secs Computing kpt #: 140 total cpu time spent up to now is 80.2 secs Computing kpt #: 141 total cpu time spent up to now is 80.4 secs Computing kpt #: 142 total cpu time spent up to now is 80.7 secs Computing kpt #: 143 total cpu time spent up to now is 80.9 secs Computing kpt #: 144 total cpu time spent up to now is 81.2 secs Computing kpt #: 145 total cpu time spent up to now is 81.5 secs Computing kpt #: 146 total cpu time spent up to now is 81.7 secs Computing kpt #: 147 total cpu time spent up to now is 81.9 secs Computing kpt #: 148 total cpu time spent up to now is 82.1 secs Computing kpt #: 149 total cpu time spent up to now is 82.4 secs Computing kpt #: 150 total cpu time spent up to now is 82.6 secs Computing kpt #: 151 total cpu time spent up to now is 82.8 secs Computing kpt #: 152 total cpu time spent up to now is 83.1 secs Computing kpt #: 153 total cpu time spent up to now is 83.3 secs Computing kpt #: 154 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total cpu time spent up to now is 95.8 secs Computing kpt #: 201 total cpu time spent up to now is 96.1 secs Computing kpt #: 202 total cpu time spent up to now is 96.4 secs Computing kpt #: 203 total cpu time spent up to now is 96.6 secs Computing kpt #: 204 total cpu time spent up to now is 96.9 secs Computing kpt #: 205 total cpu time spent up to now is 97.2 secs Computing kpt #: 206 total cpu time spent up to now is 97.6 secs Computing kpt #: 207 total cpu time spent up to now is 97.9 secs Computing kpt #: 208 total cpu time spent up to now is 98.4 secs Computing kpt #: 209 total cpu time spent up to now is 98.8 secs Computing kpt #: 210 total cpu time spent up to now is 99.2 secs Computing kpt #: 211 total cpu time spent up to now is 99.6 secs Computing kpt #: 212 total cpu time spent up to now is 100.3 secs Computing kpt #: 213 total cpu time spent up to now is 100.7 secs Computing kpt #: 214 total cpu time spent up to now is 101.0 secs Computing kpt #: 215 total cpu time spent 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is 106.7 secs Computing kpt #: 231 total cpu time spent up to now is 107.0 secs Computing kpt #: 232 total cpu time spent up to now is 107.3 secs Computing kpt #: 233 total cpu time spent up to now is 107.6 secs Computing kpt #: 234 total cpu time spent up to now is 107.9 secs Computing kpt #: 235 total cpu time spent up to now is 108.2 secs Computing kpt #: 236 total cpu time spent up to now is 108.5 secs Computing kpt #: 237 total cpu time spent up to now is 108.8 secs Computing kpt #: 238 total cpu time spent up to now is 109.0 secs Computing kpt #: 239 total cpu time spent up to now is 109.3 secs Computing kpt #: 240 total cpu time spent up to now is 109.6 secs Computing kpt #: 241 total cpu time spent up to now is 110.0 secs Computing kpt #: 242 total cpu time spent up to now is 110.4 secs Computing kpt #: 243 total cpu time spent up to now is 110.7 secs Computing kpt #: 244 total cpu time spent up to now is 111.0 secs Computing kpt #: 245 total cpu time spent up to now is 111.3 secs Computing kpt #: 246 total cpu time spent up to now is 111.7 secs Computing kpt #: 247 total cpu time spent up to now is 111.9 secs Computing kpt #: 248 total cpu time spent up to now is 112.2 secs Computing kpt #: 249 total cpu time spent up to now is 112.4 secs Computing kpt #: 250 total cpu time spent up to now is 112.7 secs Computing kpt #: 251 total cpu time spent up to now is 112.9 secs Computing kpt #: 252 total cpu time spent up to now is 113.1 secs Computing kpt #: 253 total cpu time spent up to now is 113.5 secs Computing kpt #: 254 total cpu time spent up to now is 113.8 secs Computing kpt #: 255 total cpu time spent up to now is 114.0 secs Computing kpt #: 256 total cpu time spent up to now is 114.2 secs Computing kpt #: 257 total cpu time spent up to now is 114.5 secs Computing kpt #: 258 total cpu time spent up to now is 114.7 secs Computing kpt #: 259 total cpu time spent up to now is 114.9 secs Computing kpt #: 260 total cpu time spent up to now is 115.2 secs 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total cpu time spent up to now is 123.1 secs Computing kpt #: 292 total cpu time spent up to now is 123.4 secs Computing kpt #: 293 total cpu time spent up to now is 123.6 secs Computing kpt #: 294 total cpu time spent up to now is 123.9 secs Computing kpt #: 295 total cpu time spent up to now is 124.1 secs Computing kpt #: 296 total cpu time spent up to now is 124.4 secs Computing kpt #: 297 total cpu time spent up to now is 124.7 secs Computing kpt #: 298 total cpu time spent up to now is 125.0 secs Computing kpt #: 299 total cpu time spent up to now is 125.2 secs Computing kpt #: 300 total cpu time spent up to now is 125.4 secs Computing kpt #: 301 total cpu time spent up to now is 125.6 secs Computing kpt #: 302 total cpu time spent up to now is 125.9 secs Computing kpt #: 303 total cpu time spent up to now is 126.1 secs Computing kpt #: 304 total cpu time spent up to now is 126.3 secs Computing kpt #: 305 total cpu time spent up to now is 126.6 secs Computing kpt #: 306 total cpu 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up to now is 131.3 secs Computing kpt #: 322 total cpu time spent up to now is 131.6 secs Computing kpt #: 323 total cpu time spent up to now is 131.8 secs Computing kpt #: 324 total cpu time spent up to now is 132.0 secs Computing kpt #: 325 total cpu time spent up to now is 132.2 secs Computing kpt #: 326 total cpu time spent up to now is 132.5 secs Computing kpt #: 327 total cpu time spent up to now is 132.7 secs Computing kpt #: 328 total cpu time spent up to now is 132.9 secs Computing kpt #: 329 total cpu time spent up to now is 133.2 secs Computing kpt #: 330 total cpu time spent up to now is 133.4 secs Computing kpt #: 331 total cpu time spent up to now is 133.7 secs Computing kpt #: 332 total cpu time spent up to now is 133.9 secs Computing kpt #: 333 total cpu time spent up to now is 134.2 secs Computing kpt #: 334 total cpu time spent up to now is 134.4 secs Computing kpt #: 335 total cpu time spent up to now is 134.7 secs Computing kpt #: 336 total cpu time spent up to now is 134.9 secs Computing kpt #: 337 total cpu time spent up to now is 135.4 secs Computing kpt #: 338 total cpu time spent up to now is 135.7 secs Computing kpt #: 339 total cpu time spent up to now is 135.9 secs Computing kpt #: 340 total cpu time spent up to now is 136.2 secs Computing kpt #: 341 total cpu time spent up to now is 136.4 secs Computing kpt #: 342 total cpu time spent up to now is 136.6 secs Computing kpt #: 343 total cpu time spent up to now is 136.9 secs Computing kpt #: 344 total cpu time spent up to now is 137.1 secs Computing kpt #: 345 total cpu time spent up to now is 137.3 secs Computing kpt #: 346 total cpu time spent up to now is 137.6 secs Computing kpt #: 347 total cpu time spent up to now is 137.8 secs Computing kpt #: 348 total cpu time spent up to now is 138.0 secs Computing kpt #: 349 total cpu time spent up to now is 138.2 secs Computing kpt #: 350 total cpu time spent up to now is 138.4 secs Computing kpt #: 351 total cpu time spent up to now is 138.7 secs Computing kpt #: 352 total cpu time spent up to now is 138.9 secs Computing kpt #: 353 total cpu time spent up to now is 139.1 secs Computing kpt #: 354 total cpu time spent up to now is 139.3 secs Computing kpt #: 355 total cpu time spent up to now is 139.5 secs Computing kpt #: 356 total cpu time spent up to now is 139.8 secs Computing kpt #: 357 total cpu time spent up to now is 140.1 secs Computing kpt #: 358 total cpu time spent up to now is 140.3 secs Computing kpt #: 359 total cpu time spent up to now is 140.6 secs Computing kpt #: 360 total cpu time spent up to now is 140.9 secs Computing kpt #: 361 total cpu time spent up to now is 141.1 secs Computing kpt #: 362 total cpu time spent up to now is 141.5 secs Computing kpt #: 363 total cpu time spent up to now is 141.7 secs Computing kpt #: 364 total cpu time spent up to now is 141.9 secs Computing kpt #: 365 total cpu time spent up to now is 142.1 secs Computing kpt #: 366 total cpu time spent up to now is 142.4 secs Computing kpt #: 367 total cpu time spent up to now is 142.6 secs Computing kpt #: 368 total cpu time spent up to now is 142.8 secs Computing kpt #: 369 total cpu time spent up to now is 143.0 secs Computing kpt #: 370 total cpu time spent up to now is 143.3 secs Computing kpt #: 371 total cpu time spent up to now is 143.5 secs Computing kpt #: 372 total cpu time spent up to now is 143.7 secs Computing kpt #: 373 total cpu time spent up to now is 143.9 secs Computing kpt #: 374 total cpu time spent up to now is 144.2 secs Computing kpt #: 375 total cpu time spent up to now is 144.4 secs Computing kpt #: 376 total cpu time spent up to now is 144.6 secs Computing kpt #: 377 total cpu time spent up to now is 144.8 secs Computing kpt #: 378 total cpu time spent up to now is 145.1 secs Computing kpt #: 379 total cpu time spent up to now is 145.3 secs Computing kpt #: 380 total cpu time spent up to now is 145.5 secs Computing kpt #: 381 total cpu time spent up to now is 145.8 secs Computing kpt #: 382 total cpu time spent up to now is 146.1 secs Computing kpt #: 383 total cpu time spent up to now is 146.4 secs Computing kpt #: 384 total cpu time spent up to now is 146.7 secs Computing kpt #: 385 total cpu time spent up to now is 146.9 secs Computing kpt #: 386 total cpu time spent up to now is 147.2 secs Computing kpt #: 387 total cpu time spent up to now is 147.4 secs Computing kpt #: 388 total cpu time spent up to now is 147.6 secs Computing kpt #: 389 total cpu time spent up to now is 147.9 secs Computing kpt #: 390 total cpu time spent up to now is 148.1 secs Computing kpt #: 391 total cpu time spent up to now is 148.3 secs Computing kpt #: 392 total cpu time spent up to now is 148.6 secs Computing kpt #: 393 total cpu time spent up to now is 148.8 secs Computing kpt #: 394 total cpu time spent up to now is 149.0 secs Computing kpt #: 395 total cpu time spent up to now is 149.2 secs Computing kpt #: 396 total cpu time spent up to now is 149.4 secs Computing kpt #: 397 total cpu time spent up to now is 149.7 secs Computing kpt #: 398 total cpu time spent up to now is 149.9 secs Computing kpt #: 399 total cpu time spent up to now is 150.1 secs Computing kpt #: 400 total cpu time spent up to now is 150.3 secs Computing kpt #: 401 total cpu time spent up to now is 150.6 secs Computing kpt #: 402 total cpu time spent up to now is 150.8 secs Computing kpt #: 403 total cpu time spent up to now is 151.0 secs Computing kpt #: 404 total cpu time spent up to now is 151.2 secs Computing kpt #: 405 total cpu time spent up to now is 151.4 secs Computing kpt #: 406 total cpu time spent up to now is 151.7 secs Computing kpt #: 407 total cpu time spent up to now is 152.0 secs Computing kpt #: 408 total cpu time spent up to now is 152.2 secs Computing kpt #: 409 total cpu time spent up to now is 152.5 secs Computing kpt #: 410 total cpu time spent up to now is 152.7 secs Computing kpt #: 411 total cpu time spent up to now is 153.0 secs Computing kpt #: 412 total cpu time spent up to now is 153.2 secs Computing kpt #: 413 total cpu time spent up to now is 153.5 secs Computing kpt #: 414 total cpu time spent up to now is 153.8 secs Computing kpt #: 415 total cpu time spent up to now is 154.0 secs Computing kpt #: 416 total cpu time spent up to now is 154.3 secs Computing kpt #: 417 total cpu time spent up to now is 154.5 secs Computing kpt #: 418 total cpu time spent up to now is 154.7 secs Computing kpt #: 419 total cpu time spent up to now is 154.9 secs Computing kpt #: 420 total cpu time spent up to now is 155.2 secs Computing kpt #: 421 total cpu time spent up to now is 155.4 secs Computing kpt #: 422 total cpu time spent up to now is 155.6 secs Computing kpt #: 423 total cpu time spent up to now is 155.8 secs Computing kpt #: 424 total cpu time spent up to now is 156.1 secs Computing kpt #: 425 total cpu time spent up to now is 156.3 secs Computing kpt #: 426 total cpu time spent up to now is 156.5 secs Computing kpt #: 427 total cpu time spent up to now is 156.7 secs Computing kpt #: 428 total cpu time spent up to now is 156.9 secs Computing kpt #: 429 total cpu time spent up to now is 157.2 secs Computing kpt #: 430 total cpu time spent up to now is 157.5 secs Computing kpt #: 431 total cpu time spent up to now is 157.8 secs Computing kpt #: 432 total cpu time spent up to now is 158.2 secs Computing kpt #: 433 total cpu time spent up to now is 158.5 secs Computing kpt #: 434 total cpu time spent up to now is 158.8 secs Computing kpt #: 435 total cpu time spent up to now is 159.2 secs Computing kpt #: 436 total cpu time spent up to now is 159.5 secs Computing kpt #: 437 total cpu time spent up to now is 159.8 secs Computing kpt #: 438 total cpu time spent up to now is 160.0 secs Computing kpt #: 439 total cpu time spent up to now is 160.4 secs Computing kpt #: 440 total cpu time spent up to now is 160.7 secs Computing kpt #: 441 total cpu time spent up to now is 161.0 secs Computing kpt #: 442 total cpu time spent up to now is 161.3 secs Computing kpt #: 443 total cpu time spent up to now is 161.6 secs Computing kpt #: 444 total cpu time spent up to now is 161.9 secs Computing kpt #: 445 total cpu time spent up to now is 162.3 secs Computing kpt #: 446 total cpu time spent up to now is 162.5 secs Computing kpt #: 447 total cpu time spent up to now is 162.7 secs Computing kpt #: 448 total cpu time spent up to now is 163.0 secs Computing kpt #: 449 total cpu time spent up to now is 163.2 secs Computing kpt #: 450 total cpu time spent up to now is 163.4 secs Computing kpt #: 451 total cpu time spent up to now is 163.6 secs Computing kpt #: 452 total cpu time spent up to now is 163.9 secs Computing kpt #: 453 total cpu time spent up to now is 164.1 secs Computing kpt #: 454 total cpu time spent up to now is 164.3 secs Computing kpt #: 455 total cpu time spent up to now is 164.6 secs Computing kpt #: 456 total cpu time spent up to now is 164.8 secs Computing kpt #: 457 total cpu time spent up to now is 165.1 secs Computing kpt #: 458 total cpu time spent up to now is 165.3 secs Computing kpt #: 459 total cpu time spent up to now is 165.7 secs Computing kpt #: 460 total cpu time spent up to now is 165.9 secs Computing kpt #: 461 total cpu time spent up to now is 166.2 secs Computing kpt #: 462 total cpu time spent up to now is 166.6 secs Computing kpt #: 463 total cpu time spent up to now is 166.9 secs Computing kpt #: 464 total cpu time spent up to now is 167.2 secs Computing kpt #: 465 total cpu time spent up to now is 167.5 secs Computing kpt #: 466 total cpu time spent up to now is 167.8 secs Computing kpt #: 467 total cpu time spent up to now is 168.1 secs Computing kpt #: 468 total cpu time spent up to now is 168.4 secs Computing kpt #: 469 total cpu time spent up to now is 168.7 secs Computing kpt #: 470 total cpu time spent up to now is 168.9 secs Computing kpt #: 471 total cpu time spent up to now is 169.1 secs Computing kpt #: 472 total cpu time spent up to now is 169.3 secs Computing kpt #: 473 total cpu time spent up to now is 169.5 secs Computing kpt #: 474 total cpu time spent up to now is 169.8 secs Computing kpt #: 475 total cpu time spent up to now is 170.0 secs Computing kpt #: 476 total cpu time spent up to now is 170.2 secs Computing kpt #: 477 total cpu time spent up to now is 170.4 secs ethr = 5.56E-11, avg # of iterations = 15.9 total cpu time spent up to now is 170.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -50.1849 -50.1849 -24.4869 -24.4869 -23.6553 -23.6553 -23.6553 -23.6553 -2.0038 -2.0038 8.9704 8.9704 8.9734 8.9734 8.9734 8.9734 14.8925 14.8925 14.8925 14.8925 17.2160 17.2160 19.9378 19.9378 19.9378 19.9378 k = 0.0069-0.0040 0.0057 ( 761 PWs) bands (ev): -50.1849 -50.1849 -24.4870 -24.4870 -23.6554 -23.6554 -23.6553 -23.6553 -2.0030 -2.0030 8.9699 8.9699 8.9730 8.9730 8.9740 8.9740 14.8910 14.8910 14.8929 14.8929 17.2191 17.2191 19.9365 19.9365 19.9375 19.9375 k = 0.0139-0.0080 0.0113 ( 777 PWs) bands (ev): -50.1849 -50.1849 -24.4872 -24.4872 -23.6558 -23.6558 -23.6555 -23.6555 -2.0004 -2.0004 8.9662 8.9662 8.9739 8.9739 8.9756 8.9756 14.8871 14.8871 14.8941 14.8941 17.2283 17.2283 19.9333 19.9333 19.9356 19.9356 k = 0.0208-0.0120 0.0170 ( 777 PWs) bands (ev): -50.1848 -50.1848 -24.4876 -24.4876 -23.6564 -23.6564 -23.6558 -23.6558 -1.9962 -1.9962 8.9590 8.9590 8.9766 8.9766 8.9785 8.9785 14.8808 14.8808 14.8960 14.8960 17.2437 17.2437 19.9283 19.9283 19.9321 19.9321 k = 0.0278-0.0160 0.0227 ( 777 PWs) bands (ev): -50.1846 -50.1846 -24.4882 -24.4882 -23.6573 -23.6573 -23.6561 -23.6561 -1.9903 -1.9903 8.9490 8.9490 8.9806 8.9806 8.9825 8.9825 14.8720 14.8720 14.8987 14.8987 17.2650 17.2650 19.9213 19.9213 19.9268 19.9268 k = 0.0347-0.0200 0.0284 ( 777 PWs) bands (ev): -50.1844 -50.1844 -24.4890 -24.4890 -23.6584 -23.6584 -23.6566 -23.6566 -1.9827 -1.9827 8.9361 8.9361 8.9858 8.9858 8.9877 8.9877 14.8606 14.8606 14.9022 14.9022 17.2924 17.2924 19.9124 19.9124 19.9197 19.9197 k = 0.0417-0.0241 0.0340 ( 793 PWs) bands (ev): -50.1842 -50.1842 -24.4899 -24.4899 -23.6598 -23.6598 -23.6572 -23.6572 -1.9735 -1.9735 8.9205 8.9205 8.9921 8.9921 8.9941 8.9941 14.8467 14.8467 14.9062 14.9062 17.3256 17.3256 19.9014 19.9014 19.9104 19.9104 k = 0.0486-0.0281 0.0397 ( 793 PWs) bands (ev): -50.1839 -50.1839 -24.4909 -24.4909 -23.6614 -23.6614 -23.6579 -23.6579 -1.9627 -1.9627 8.9023 8.9023 8.9996 8.9996 9.0016 9.0016 14.8305 14.8305 14.9112 14.9112 17.3647 17.3647 19.8885 19.8885 19.8989 19.8989 k = 0.0556-0.0321 0.0454 ( 793 PWs) bands (ev): -50.1835 -50.1835 -24.4922 -24.4922 -23.6632 -23.6632 -23.6587 -23.6587 -1.9502 -1.9502 8.8816 8.8816 9.0083 9.0083 9.0102 9.0102 14.8120 14.8120 14.9169 14.9169 17.4093 17.4093 19.8735 19.8735 19.8851 19.8851 k = 0.0625-0.0361 0.0510 ( 793 PWs) bands (ev): -50.1831 -50.1831 -24.4935 -24.4935 -23.6653 -23.6653 -23.6597 -23.6597 -1.9361 -1.9361 8.8587 8.8587 9.0181 9.0181 9.0200 9.0200 14.7911 14.7911 14.9234 14.9234 17.4595 17.4595 19.8564 19.8564 19.8690 19.8690 k = 0.0694-0.0401 0.0567 ( 793 PWs) bands (ev): -50.1827 -50.1827 -24.4951 -24.4951 -23.6676 -23.6676 -23.6607 -23.6607 -1.9205 -1.9205 8.8334 8.8334 9.0290 9.0290 9.0310 9.0310 14.7680 14.7680 14.9306 14.9306 17.5149 17.5149 19.8373 19.8373 19.8506 19.8506 k = 0.0764-0.0441 0.0624 ( 801 PWs) bands (ev): -50.1822 -50.1822 -24.4968 -24.4968 -23.6701 -23.6701 -23.6618 -23.6618 -1.9033 -1.9033 8.8062 8.8062 9.0411 9.0411 9.0431 9.0431 14.7427 14.7427 14.9384 14.9384 17.5756 17.5756 19.8159 19.8159 19.8300 19.8300 k = 0.0833-0.0481 0.0680 ( 801 PWs) bands (ev): -50.1817 -50.1817 -24.4986 -24.4986 -23.6729 -23.6729 -23.6630 -23.6630 -1.8847 -1.8847 8.7770 8.7770 9.0543 9.0543 9.0563 9.0563 14.7153 14.7153 14.9470 14.9470 17.6412 17.6412 19.7925 19.7925 19.8071 19.8071 k = 0.0903-0.0521 0.0737 ( 797 PWs) bands (ev): -50.1811 -50.1811 -24.5006 -24.5006 -23.6758 -23.6758 -23.6643 -23.6643 -1.8646 -1.8646 8.7461 8.7461 9.0686 9.0686 9.0708 9.0708 14.6859 14.6859 14.9563 14.9563 17.7117 17.7117 19.7668 19.7668 19.7820 19.7820 k = 0.0972-0.0561 0.0794 ( 797 PWs) bands (ev): -50.1805 -50.1805 -24.5027 -24.5027 -23.6790 -23.6790 -23.6657 -23.6657 -1.8430 -1.8430 8.7136 8.7136 9.0841 9.0841 9.0863 9.0863 14.6546 14.6546 14.9663 14.9663 17.7867 17.7867 19.7390 19.7390 19.7547 19.7547 k = 0.1042-0.0601 0.0851 ( 797 PWs) bands (ev): -50.1798 -50.1798 -24.5050 -24.5050 -23.6823 -23.6823 -23.6672 -23.6672 -1.8201 -1.8201 8.6797 8.6797 9.1006 9.1006 9.1030 9.1030 14.6214 14.6214 14.9769 14.9769 17.8661 17.8661 19.7089 19.7089 19.7252 19.7252 k = 0.1111-0.0642 0.0907 ( 797 PWs) bands (ev): -50.1791 -50.1791 -24.5074 -24.5074 -23.6859 -23.6859 -23.6688 -23.6688 -1.7958 -1.7958 8.6446 8.6446 9.1183 9.1183 9.1208 9.1208 14.5864 14.5864 14.9882 14.9882 17.9497 17.9497 19.6766 19.6766 19.6933 19.6933 k = 0.1181-0.0682 0.0964 ( 797 PWs) bands (ev): -50.1784 -50.1784 -24.5099 -24.5099 -23.6896 -23.6896 -23.6704 -23.6704 -1.7702 -1.7702 8.6083 8.6083 9.1370 9.1370 9.1397 9.1397 14.5498 14.5498 15.0001 15.0001 18.0372 18.0372 19.6420 19.6420 19.6592 19.6592 k = 0.1250-0.0722 0.1021 ( 797 PWs) bands (ev): -50.1776 -50.1776 -24.5126 -24.5126 -23.6935 -23.6935 -23.6722 -23.6722 -1.7434 -1.7434 8.5712 8.5712 9.1569 9.1569 9.1597 9.1597 14.5117 14.5117 15.0126 15.0126 18.1285 18.1285 19.6051 19.6051 19.6228 19.6228 k = 0.1319-0.0762 0.1077 ( 797 PWs) bands (ev): -50.1768 -50.1768 -24.5153 -24.5153 -23.6975 -23.6975 -23.6740 -23.6740 -1.7154 -1.7154 8.5333 8.5333 9.1778 9.1778 9.1809 9.1809 14.4722 14.4722 15.0256 15.0256 18.2234 18.2234 19.5659 19.5659 19.5842 19.5842 k = 0.1389-0.0802 0.1134 ( 797 PWs) bands (ev): -50.1759 -50.1759 -24.5182 -24.5182 -23.7017 -23.7017 -23.6759 -23.6759 -1.6862 -1.6862 8.4948 8.4948 9.1998 9.1998 9.2031 9.2031 14.4313 14.4313 15.0393 15.0393 18.3214 18.3214 19.5245 19.5245 19.5433 19.5433 k = 0.1458-0.0842 0.1191 ( 797 PWs) bands (ev): -50.1751 -50.1751 -24.5212 -24.5212 -23.7061 -23.7061 -23.6779 -23.6779 -1.6560 -1.6560 8.4558 8.4558 9.2228 9.2228 9.2264 9.2264 14.3893 14.3893 15.0535 15.0535 18.4225 18.4225 19.4808 19.4808 19.5001 19.5001 k = 0.1528-0.0882 0.1247 ( 797 PWs) bands (ev): -50.1742 -50.1742 -24.5244 -24.5244 -23.7106 -23.7106 -23.6799 -23.6799 -1.6248 -1.6248 8.4166 8.4166 9.2469 9.2469 9.2507 9.2507 14.3462 14.3462 15.0682 15.0682 18.5264 18.5264 19.4349 19.4349 19.4546 19.4546 k = 0.1597-0.0922 0.1304 ( 805 PWs) bands (ev): -50.1733 -50.1733 -24.5276 -24.5276 -23.7152 -23.7152 -23.6820 -23.6820 -1.5926 -1.5926 8.3772 8.3772 9.2721 9.2721 9.2761 9.2761 14.3022 14.3022 15.0834 15.0834 18.6325 18.6325 19.3867 19.3867 19.4069 19.4069 k = 0.1667-0.0962 0.1361 ( 805 PWs) bands (ev): -50.1723 -50.1723 -24.5309 -24.5309 -23.7199 -23.7199 -23.6842 -23.6842 -1.5595 -1.5595 8.3378 8.3378 9.2982 9.2982 9.3026 9.3026 14.2574 14.2574 15.0991 15.0991 18.7406 18.7406 19.3363 19.3363 19.3570 19.3570 k = 0.1736-0.1002 0.1418 ( 801 PWs) bands (ev): -50.1713 -50.1713 -24.5343 -24.5343 -23.7247 -23.7247 -23.6864 -23.6864 -1.5256 -1.5256 8.2985 8.2985 9.3254 9.3254 9.3301 9.3301 14.2119 14.2119 15.1152 15.1152 18.8499 18.8499 19.2839 19.2839 19.3050 19.3050 k = 0.1806-0.1042 0.1474 ( 801 PWs) bands (ev): -50.1703 -50.1703 -24.5378 -24.5378 -23.7296 -23.7296 -23.6886 -23.6886 -1.4910 -1.4910 8.2594 8.2594 9.3535 9.3535 9.3585 9.3585 14.1659 14.1659 15.1318 15.1318 18.9587 18.9587 19.2294 19.2294 19.2509 19.2509 k = 0.1875-0.1083 0.1531 ( 801 PWs) bands (ev): -50.1693 -50.1693 -24.5413 -24.5413 -23.7346 -23.7346 -23.6909 -23.6909 -1.4556 -1.4556 8.2207 8.2207 9.3826 9.3826 9.3879 9.3879 14.1196 14.1196 15.1487 15.1487 19.0633 19.0633 19.1733 19.1733 19.1949 19.1949 k = 0.1944-0.1123 0.1588 ( 801 PWs) bands (ev): -50.1683 -50.1683 -24.5449 -24.5449 -23.7397 -23.7397 -23.6933 -23.6933 -1.4197 -1.4197 8.1825 8.1825 9.4126 9.4126 9.4183 9.4183 14.0730 14.0730 15.1660 15.1660 19.1105 19.1105 19.1341 19.1341 19.1609 19.1609 k = 0.2014-0.1163 0.1644 ( 801 PWs) bands (ev): -50.1672 -50.1672 -24.5486 -24.5486 -23.7448 -23.7448 -23.6957 -23.6957 -1.3832 -1.3832 8.1448 8.1448 9.4436 9.4436 9.4497 9.4497 14.0263 14.0263 15.1836 15.1836 19.0520 19.0520 19.0757 19.0757 19.2034 19.2034 k = 0.2083-0.1203 0.1701 ( 801 PWs) bands (ev): -50.1661 -50.1661 -24.5524 -24.5524 -23.7500 -23.7500 -23.6981 -23.6981 -1.3462 -1.3462 8.1078 8.1078 9.4754 9.4754 9.4819 9.4819 13.9796 13.9796 15.2015 15.2015 18.9899 18.9899 19.0138 19.0138 19.1902 19.1902 k = 0.2153-0.1243 0.1758 ( 801 PWs) bands (ev): -50.1650 -50.1650 -24.5562 -24.5562 -23.7552 -23.7552 -23.7005 -23.7005 -1.3089 -1.3089 8.0715 8.0715 9.5082 9.5082 9.5150 9.5150 13.9332 13.9332 15.2197 15.2197 18.9257 18.9257 18.9501 18.9501 19.1484 19.1484 k = 0.2222-0.1283 0.1814 ( 801 PWs) bands (ev): -50.1639 -50.1639 -24.5600 -24.5600 -23.7604 -23.7604 -23.7030 -23.7030 -1.2712 -1.2712 8.0361 8.0361 9.5417 9.5417 9.5489 9.5489 13.8870 13.8870 15.2382 15.2382 18.8599 18.8599 18.8847 18.8847 19.0952 19.0952 k = 0.2292-0.1323 0.1871 ( 809 PWs) bands (ev): -50.1629 -50.1629 -24.5639 -24.5639 -23.7657 -23.7657 -23.7055 -23.7055 -1.2333 -1.2333 8.0015 8.0015 9.5760 9.5760 9.5836 9.5836 13.8413 13.8413 15.2568 15.2568 18.7925 18.7925 18.8176 18.8176 19.0359 19.0359 k = 0.2361-0.1363 0.1928 ( 817 PWs) bands (ev): -50.1618 -50.1618 -24.5678 -24.5678 -23.7710 -23.7710 -23.7080 -23.7080 -1.1953 -1.1953 7.9679 7.9679 9.6111 9.6111 9.6191 9.6191 13.7960 13.7960 15.2756 15.2756 18.7236 18.7236 18.7492 18.7492 18.9722 18.9722 k = 0.2431-0.1403 0.1985 ( 817 PWs) bands (ev): -50.1607 -50.1607 -24.5717 -24.5717 -23.7762 -23.7762 -23.7105 -23.7105 -1.1571 -1.1571 7.9354 7.9354 9.6470 9.6470 9.6553 9.6553 13.7516 13.7516 15.2945 15.2945 18.6535 18.6535 18.6794 18.6794 18.9051 18.9051 k = 0.2500-0.1443 0.2041 ( 817 PWs) bands (ev): -50.1595 -50.1595 -24.5756 -24.5756 -23.7815 -23.7815 -23.7130 -23.7130 -1.1190 -1.1190 7.9039 7.9039 9.6835 9.6835 9.6923 9.6923 13.7080 13.7080 15.3135 15.3135 18.5821 18.5821 18.6084 18.6084 18.8350 18.8350 k = 0.2569-0.1483 0.2098 ( 817 PWs) bands (ev): -50.1584 -50.1584 -24.5795 -24.5795 -23.7867 -23.7867 -23.7155 -23.7155 -1.0809 -1.0809 7.8736 7.8736 9.7207 9.7207 9.7299 9.7299 13.6654 13.6654 15.3326 15.3326 18.5097 18.5097 18.5363 18.5363 18.7622 18.7622 k = 0.2639-0.1524 0.2155 ( 817 PWs) bands (ev): -50.1573 -50.1573 -24.5835 -24.5835 -23.7919 -23.7919 -23.7180 -23.7180 -1.0430 -1.0430 7.8444 7.8444 9.7585 9.7585 9.7680 9.7680 13.6239 13.6239 15.3517 15.3517 18.4364 18.4364 18.4634 18.4634 18.6868 18.6868 k = 0.2708-0.1564 0.2211 ( 809 PWs) bands (ev): -50.1562 -50.1562 -24.5874 -24.5874 -23.7971 -23.7971 -23.7205 -23.7205 -1.0054 -1.0054 7.8165 7.8165 9.7968 9.7968 9.8068 9.8068 13.5836 13.5836 15.3709 15.3709 18.3623 18.3623 18.3896 18.3896 18.6092 18.6092 k = 0.2778-0.1604 0.2268 ( 801 PWs) bands (ev): -50.1550 -50.1550 -24.5913 -24.5913 -23.8022 -23.8022 -23.7230 -23.7230 -0.9680 -0.9680 7.7897 7.7897 9.8356 9.8356 9.8460 9.8460 13.5447 13.5447 15.3899 15.3899 18.2876 18.2876 18.3152 18.3152 18.5295 18.5295 k = 0.2847-0.1644 0.2325 ( 801 PWs) bands (ev): -50.1540 -50.1540 -24.5952 -24.5952 -23.8073 -23.8073 -23.7255 -23.7255 -0.9310 -0.9310 7.7642 7.7642 9.8748 9.8748 9.8856 9.8856 13.5071 13.5071 15.4089 15.4089 18.2124 18.2124 18.2403 18.2403 18.4478 18.4478 k = 0.2917-0.1684 0.2381 ( 801 PWs) bands (ev): -50.1529 -50.1529 -24.5990 -24.5990 -23.8123 -23.8123 -23.7279 -23.7279 -0.8945 -0.8945 7.7400 7.7400 9.9144 9.9144 9.9256 9.9256 13.4711 13.4711 15.4278 15.4278 18.1369 18.1369 18.1650 18.1650 18.3644 18.3644 k = 0.2986-0.1724 0.2438 ( 801 PWs) bands (ev): -50.1518 -50.1518 -24.6029 -24.6029 -23.8172 -23.8172 -23.7304 -23.7304 -0.8585 -0.8585 7.7169 7.7169 9.9543 9.9543 9.9659 9.9659 13.4368 13.4368 15.4465 15.4465 18.0612 18.0612 18.0896 18.0896 18.2795 18.2795 k = 0.3056-0.1764 0.2495 ( 801 PWs) bands (ev): -50.1507 -50.1507 -24.6066 -24.6066 -23.8220 -23.8220 -23.7327 -23.7327 -0.8231 -0.8231 7.6952 7.6952 9.9944 9.9944 10.0064 10.0064 13.4042 13.4042 15.4650 15.4650 17.9855 17.9855 18.0141 18.0141 18.1933 18.1933 k = 0.3125-0.1804 0.2552 ( 801 PWs) bands (ev): -50.1497 -50.1497 -24.6103 -24.6103 -23.8267 -23.8267 -23.7351 -23.7351 -0.7884 -0.7884 7.6747 7.6747 10.0347 10.0347 10.0471 10.0471 13.3733 13.3733 15.4832 15.4832 17.9099 17.9099 17.9388 17.9388 18.1062 18.1062 k = 0.3194-0.1844 0.2608 ( 801 PWs) bands (ev): -50.1487 -50.1487 -24.6140 -24.6140 -23.8313 -23.8313 -23.7374 -23.7374 -0.7544 -0.7544 7.6554 7.6554 10.0750 10.0750 10.0878 10.0878 13.3443 13.3443 15.5012 15.5012 17.8347 17.8347 17.8639 17.8639 18.0182 18.0182 k = 0.3264-0.1884 0.2665 ( 797 PWs) bands (ev): -50.1477 -50.1477 -24.6175 -24.6175 -23.8358 -23.8358 -23.7396 -23.7396 -0.7212 -0.7212 7.6374 7.6374 10.1153 10.1153 10.1285 10.1285 13.3173 13.3173 15.5189 15.5189 17.7600 17.7600 17.7895 17.7895 17.9298 17.9298 k = 0.3333-0.1925 0.2722 ( 797 PWs) bands (ev): -50.1467 -50.1467 -24.6210 -24.6210 -23.8402 -23.8402 -23.7418 -23.7418 -0.6888 -0.6888 7.6205 7.6205 10.1554 10.1554 10.1690 10.1690 13.2922 13.2922 15.5363 15.5363 17.6858 17.6858 17.7158 17.7158 17.8411 17.8411 k = 0.3403-0.1965 0.2778 ( 797 PWs) bands (ev): -50.1457 -50.1457 -24.6245 -24.6245 -23.8445 -23.8445 -23.7440 -23.7440 -0.6574 -0.6574 7.6048 7.6048 10.1954 10.1954 10.2094 10.2094 13.2691 13.2691 15.5533 15.5533 17.6125 17.6125 17.6429 17.6429 17.7525 17.7525 k = 0.3472-0.2005 0.2835 ( 797 PWs) bands (ev): -50.1448 -50.1448 -24.6278 -24.6278 -23.8486 -23.8486 -23.7461 -23.7461 -0.6269 -0.6269 7.5902 7.5902 10.2350 10.2350 10.2494 10.2494 13.2480 13.2480 15.5698 15.5698 17.5400 17.5400 17.5711 17.5711 17.6644 17.6644 k = 0.3542-0.2045 0.2892 ( 801 PWs) bands (ev): -50.1439 -50.1439 -24.6310 -24.6310 -23.8526 -23.8526 -23.7481 -23.7481 -0.5975 -0.5975 7.5767 7.5767 10.2742 10.2742 10.2889 10.2889 13.2290 13.2290 15.5859 15.5859 17.4686 17.4686 17.5006 17.5006 17.5771 17.5771 k = 0.3611-0.2085 0.2948 ( 801 PWs) bands (ev): -50.1430 -50.1430 -24.6341 -24.6341 -23.8565 -23.8565 -23.7500 -23.7500 -0.5692 -0.5692 7.5643 7.5643 10.3129 10.3129 10.3279 10.3279 13.2120 13.2120 15.6015 15.6015 17.3981 17.3981 17.4315 17.4315 17.4912 17.4912 k = 0.3681-0.2125 0.3005 ( 789 PWs) bands (ev): -50.1422 -50.1422 -24.6371 -24.6371 -23.8602 -23.8602 -23.7519 -23.7519 -0.5419 -0.5419 7.5529 7.5529 10.3510 10.3510 10.3663 10.3663 13.1969 13.1969 15.6166 15.6166 17.3286 17.3286 17.3640 17.3640 17.4072 17.4072 k = 0.3750-0.2165 0.3062 ( 789 PWs) bands (ev): -50.1414 -50.1414 -24.6400 -24.6400 -23.8638 -23.8638 -23.7537 -23.7537 -0.5159 -0.5159 7.5425 7.5425 10.3882 10.3882 10.4038 10.4038 13.1839 13.1839 15.6312 15.6312 17.2596 17.2596 17.2983 17.2983 17.3260 17.3260 k = 0.3819-0.2205 0.3119 ( 789 PWs) bands (ev): -50.1406 -50.1406 -24.6428 -24.6428 -23.8672 -23.8672 -23.7555 -23.7555 -0.4910 -0.4910 7.5329 7.5329 10.4245 10.4245 10.4405 10.4405 13.1727 13.1727 15.6451 15.6451 17.1903 17.1903 17.2345 17.2345 17.2491 17.2491 k = 0.3889-0.2245 0.3175 ( 789 PWs) bands (ev): -50.1398 -50.1398 -24.6455 -24.6455 -23.8704 -23.8704 -23.7571 -23.7571 -0.4674 -0.4674 7.5243 7.5243 10.4598 10.4598 10.4760 10.4760 13.1634 13.1634 15.6585 15.6585 17.1201 17.1201 17.1720 17.1720 17.1784 17.1784 k = 0.3958-0.2285 0.3232 ( 789 PWs) bands (ev): -50.1392 -50.1392 -24.6480 -24.6480 -23.8734 -23.8734 -23.7587 -23.7587 -0.4450 -0.4450 7.5165 7.5165 10.4939 10.4939 10.5104 10.5104 13.1558 13.1558 15.6711 15.6711 17.0488 17.0488 17.1093 17.1093 17.1162 17.1162 k = 0.4028-0.2325 0.3289 ( 789 PWs) bands (ev): -50.1385 -50.1385 -24.6504 -24.6504 -23.8763 -23.8763 -23.7602 -23.7602 -0.4240 -0.4240 7.5095 7.5095 10.5266 10.5266 10.5434 10.5434 13.1498 13.1498 15.6831 15.6831 16.9776 16.9776 17.0493 17.0493 17.0593 17.0593 k = 0.4097-0.2366 0.3345 ( 789 PWs) bands (ev): -50.1379 -50.1379 -24.6526 -24.6526 -23.8790 -23.8790 -23.7616 -23.7616 -0.4043 -0.4043 7.5032 7.5032 10.5579 10.5579 10.5750 10.5750 13.1454 13.1454 15.6944 15.6944 16.9078 16.9078 16.9935 16.9935 17.0057 17.0057 k = 0.4167-0.2406 0.3402 ( 789 PWs) bands (ev): -50.1373 -50.1373 -24.6547 -24.6547 -23.8815 -23.8815 -23.7629 -23.7629 -0.3860 -0.3860 7.4976 7.4976 10.5877 10.5877 10.6049 10.6049 13.1423 13.1423 15.7050 15.7050 16.8404 16.8404 16.9417 16.9417 16.9552 16.9552 k = 0.4236-0.2446 0.3459 ( 785 PWs) bands (ev): -50.1367 -50.1367 -24.6566 -24.6566 -23.8838 -23.8838 -23.7641 -23.7641 -0.3690 -0.3690 7.4926 7.4926 10.6156 10.6156 10.6331 10.6331 13.1404 13.1404 15.7149 15.7149 16.7763 16.7763 16.8936 16.8936 16.9080 16.9080 k = 0.4306-0.2486 0.3515 ( 785 PWs) bands (ev): -50.1362 -50.1362 -24.6584 -24.6584 -23.8860 -23.8860 -23.7652 -23.7652 -0.3535 -0.3535 7.4883 7.4883 10.6418 10.6418 10.6594 10.6594 13.1395 13.1395 15.7239 15.7239 16.7160 16.7160 16.8493 16.8493 16.8641 16.8641 k = 0.4375-0.2526 0.3572 ( 789 PWs) bands (ev): -50.1358 -50.1358 -24.6600 -24.6600 -23.8879 -23.8879 -23.7662 -23.7662 -0.3394 -0.3394 7.4844 7.4844 10.6658 10.6658 10.6836 10.6836 13.1395 13.1395 15.7321 15.7321 16.6600 16.6600 16.8087 16.8087 16.8238 16.8238 k = 0.4444-0.2566 0.3629 ( 785 PWs) bands (ev): -50.1354 -50.1354 -24.6615 -24.6615 -23.8896 -23.8896 -23.7671 -23.7671 -0.3267 -0.3267 7.4811 7.4811 10.6878 10.6878 10.7058 10.7058 13.1402 13.1402 15.7396 15.7396 16.6088 16.6088 16.7721 16.7721 16.7873 16.7873 k = 0.4514-0.2606 0.3686 ( 786 PWs) bands (ev): -50.1350 -50.1350 -24.6628 -24.6628 -23.8912 -23.8912 -23.7679 -23.7679 -0.3155 -0.3155 7.4783 7.4783 10.7075 10.7075 10.7256 10.7256 13.1413 13.1413 15.7462 15.7462 16.5626 16.5626 16.7394 16.7394 16.7546 16.7546 k = 0.4583-0.2646 0.3742 ( 786 PWs) bands (ev): -50.1347 -50.1347 -24.6639 -24.6639 -23.8925 -23.8925 -23.7686 -23.7686 -0.3058 -0.3058 7.4759 7.4759 10.7248 10.7248 10.7430 10.7430 13.1428 13.1428 15.7519 15.7519 16.5218 16.5218 16.7109 16.7109 16.7260 16.7260 k = 0.4653-0.2686 0.3799 ( 786 PWs) bands (ev): -50.1345 -50.1345 -24.6649 -24.6649 -23.8937 -23.8937 -23.7692 -23.7692 -0.2976 -0.2976 7.4740 7.4740 10.7396 10.7396 10.7580 10.7580 13.1444 13.1444 15.7568 15.7568 16.4867 16.4867 16.6865 16.6865 16.7016 16.7016 k = 0.4722-0.2726 0.3856 ( 786 PWs) bands (ev): -50.1342 -50.1342 -24.6657 -24.6657 -23.8946 -23.8946 -23.7697 -23.7697 -0.2908 -0.2908 7.4724 7.4724 10.7519 10.7519 10.7703 10.7703 13.1459 13.1459 15.7608 15.7608 16.4576 16.4576 16.6664 16.6664 16.6814 16.6814 k = 0.4792-0.2766 0.3912 ( 790 PWs) bands (ev): -50.1341 -50.1341 -24.6663 -24.6663 -23.8953 -23.8953 -23.7701 -23.7701 -0.2855 -0.2855 7.4712 7.4712 10.7615 10.7615 10.7800 10.7800 13.1472 13.1472 15.7640 15.7640 16.4347 16.4347 16.6507 16.6507 16.6656 16.6656 k = 0.4861-0.2807 0.3969 ( 790 PWs) bands (ev): -50.1340 -50.1340 -24.6667 -24.6667 -23.8958 -23.8958 -23.7704 -23.7704 -0.2818 -0.2818 7.4703 7.4703 10.7684 10.7684 10.7870 10.7870 13.1483 13.1483 15.7662 15.7662 16.4183 16.4183 16.6395 16.6395 16.6543 16.6543 k = 0.4931-0.2847 0.4026 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6670 -24.6670 -23.8961 -23.8961 -23.7705 -23.7705 -0.2795 -0.2795 7.4698 7.4698 10.7726 10.7726 10.7911 10.7911 13.1490 13.1490 15.7676 15.7676 16.4083 16.4083 16.6327 16.6327 16.6475 16.6475 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6671 -24.6671 -23.8963 -23.8963 -23.7706 -23.7706 -0.2788 -0.2788 7.4696 7.4696 10.7740 10.7740 10.7926 10.7926 13.1492 13.1492 15.7680 15.7680 16.4050 16.4050 16.6304 16.6304 16.6452 16.6452 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6671 -24.6671 -23.8963 -23.8963 -23.7706 -23.7706 -0.2788 -0.2788 7.4696 7.4696 10.7740 10.7740 10.7926 10.7926 13.1492 13.1492 15.7680 15.7680 16.4050 16.4050 16.6304 16.6304 16.6452 16.6452 k = 0.5000-0.2807 0.4139 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6681 -24.6660 -23.8974 -23.8951 -23.7706 -23.7706 -0.2795 -0.2781 7.4708 7.4708 10.7728 10.7739 10.7919 10.7921 13.1486 13.1489 15.7650 15.7679 16.3785 16.3983 16.6290 16.6379 16.6545 16.6676 k = 0.5000-0.2726 0.4196 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6691 -24.6650 -23.8984 -23.8939 -23.7708 -23.7708 -0.2802 -0.2774 7.4742 7.4743 10.7703 10.7721 10.7905 10.7907 13.1471 13.1477 15.7586 15.7647 16.3342 16.3628 16.6359 16.6397 16.6887 16.7182 k = 0.5000-0.2646 0.4253 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6700 -24.6639 -23.8995 -23.8926 -23.7710 -23.7710 -0.2810 -0.2768 7.4799 7.4801 10.7659 10.7676 10.7885 10.7897 13.1446 13.1455 15.7486 15.7581 16.2842 16.3148 16.6416 16.6427 16.7414 16.7783 k = 0.5000-0.2566 0.4309 ( 788 PWs) bands (ev): -50.1339 -50.1339 -24.6709 -24.6628 -23.9004 -23.8913 -23.7713 -23.7713 -0.2818 -0.2761 7.4880 7.4882 10.7590 10.7600 10.7866 10.7895 13.1413 13.1425 15.7344 15.7476 16.2344 16.2638 16.6470 16.6477 16.8018 16.8425 k = 0.5000-0.2486 0.4366 ( 788 PWs) bands (ev): -50.1339 -50.1339 -24.6718 -24.6616 -23.9014 -23.8899 -23.7717 -23.7717 -0.2826 -0.2756 7.4982 7.4985 10.7492 10.7493 10.7853 10.7901 13.1371 13.1386 15.7152 15.7327 16.1875 16.2143 16.6527 16.6548 16.8655 16.9084 k = 0.5000-0.2406 0.4423 ( 788 PWs) bands (ev): -50.1339 -50.1339 -24.6727 -24.6605 -23.9022 -23.8885 -23.7723 -23.7721 -0.2835 -0.2750 7.5108 7.5110 10.7358 10.7365 10.7845 10.7911 13.1322 13.1340 15.6905 15.7126 16.1454 16.1687 16.6597 16.6630 16.9306 16.9751 k = 0.5000-0.2325 0.4479 ( 788 PWs) bands (ev): -50.1339 -50.1339 -24.6735 -24.6593 -23.9030 -23.8871 -23.7729 -23.7727 -0.2843 -0.2745 7.5255 7.5258 10.7196 10.7210 10.7841 10.7924 13.1264 13.1285 15.6600 15.6869 16.1092 16.1284 16.6679 16.6723 16.9962 17.0417 k = 0.5000-0.2245 0.4536 ( 788 PWs) bands (ev): -50.1338 -50.1338 -24.6743 -24.6582 -23.9038 -23.8856 -23.7736 -23.7733 -0.2852 -0.2740 7.5424 7.5428 10.7009 10.7030 10.7841 10.7940 13.1200 13.1224 15.6238 15.6553 16.0790 16.0942 16.6773 16.6826 17.0615 17.1079 k = 0.5000-0.2165 0.4593 ( 784 PWs) bands (ev): -50.1338 -50.1338 -24.6750 -24.6570 -23.9046 -23.8840 -23.7744 -23.7739 -0.2860 -0.2735 7.5614 7.5618 10.6797 10.6824 10.7843 10.7957 13.1130 13.1156 15.5826 15.6182 16.0548 16.0663 16.6877 16.6940 17.1261 17.1732 k = 0.5000-0.2085 0.4649 ( 780 PWs) bands (ev): -50.1338 -50.1338 -24.6757 -24.6558 -23.9052 -23.8824 -23.7753 -23.7746 -0.2869 -0.2731 7.5825 7.5830 10.6562 10.6594 10.7847 10.7976 13.1053 13.1082 15.5374 15.5763 16.0357 16.0442 16.6991 16.7062 17.1898 17.2375 k = 0.5000-0.2005 0.4706 ( 776 PWs) bands (ev): -50.1338 -50.1338 -24.6764 -24.6546 -23.9059 -23.8808 -23.7763 -23.7754 -0.2878 -0.2727 7.6056 7.6062 10.6304 10.6340 10.7853 10.7995 13.0972 13.1003 15.4892 15.5307 16.0209 16.0270 16.7112 16.7193 17.2523 17.3004 k = 0.5000-0.1925 0.4763 ( 776 PWs) bands (ev): -50.1338 -50.1338 -24.6770 -24.6534 -23.9065 -23.8791 -23.7773 -23.7762 -0.2887 -0.2724 7.6307 7.6313 10.6023 10.6064 10.7860 10.8016 13.0886 13.0920 15.4391 15.4826 16.0095 16.0139 16.7241 16.7330 17.3133 17.3619 k = 0.5000-0.1844 0.4820 ( 780 PWs) bands (ev): -50.1338 -50.1338 -24.6776 -24.6522 -23.9070 -23.8773 -23.7785 -23.7771 -0.2895 -0.2720 7.6577 7.6583 10.5721 10.5766 10.7868 10.8037 13.0796 13.0833 15.3881 15.4330 16.0007 16.0038 16.7376 16.7473 17.3727 17.4216 k = 0.5000-0.1764 0.4876 ( 782 PWs) bands (ev): -50.1338 -50.1338 -24.6782 -24.6511 -23.9075 -23.8756 -23.7798 -23.7780 -0.2904 -0.2717 7.6864 7.6871 10.5399 10.5448 10.7877 10.8059 13.0703 13.0743 15.3369 15.3829 15.9941 15.9963 16.7515 16.7620 17.4303 17.4796 k = 0.5000-0.1684 0.4933 ( 782 PWs) bands (ev): -50.1338 -50.1338 -24.6787 -24.6499 -23.9080 -23.8737 -23.7811 -23.7789 -0.2913 -0.2714 7.7169 7.7175 10.5057 10.5109 10.7887 10.8081 13.0609 13.0650 15.2862 15.3329 15.9891 15.9906 16.7658 16.7771 17.4860 17.5356 k = 0.5000-0.1604 0.4990 ( 782 PWs) bands (ev): -50.1338 -50.1338 -24.6792 -24.6488 -23.9084 -23.8719 -23.7825 -23.7799 -0.2921 -0.2712 7.7489 7.7496 10.4697 10.4753 10.7898 10.8104 13.0513 13.0557 15.2364 15.2837 15.9854 15.9864 16.7804 16.7924 17.5397 17.5895 k = 0.5000-0.1524 0.5046 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6797 -24.6477 -23.9088 -23.8700 -23.7840 -23.7808 -0.2930 -0.2709 7.7824 7.7831 10.4321 10.4379 10.7909 10.8126 13.0417 13.0462 15.1879 15.2355 15.9826 15.9833 16.7951 16.8078 17.5912 17.6413 k = 0.5000-0.1443 0.5103 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6801 -24.6466 -23.9091 -23.8681 -23.7856 -23.7818 -0.2938 -0.2707 7.8172 7.8180 10.3929 10.3990 10.7920 10.8148 13.0321 13.0368 15.1410 15.1889 15.9806 15.9810 16.8098 16.8232 17.6405 17.6908 k = 0.5000-0.1363 0.5160 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6805 -24.6455 -23.9094 -23.8661 -23.7872 -23.7828 -0.2946 -0.2706 7.8532 7.8540 10.3524 10.3588 10.7932 10.8171 13.0225 13.0275 15.0959 15.1440 15.9792 15.9795 16.8244 16.8385 17.6875 17.7380 k = 0.5000-0.1283 0.5217 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6809 -24.6445 -23.9097 -23.8641 -23.7889 -23.7838 -0.2953 -0.2704 7.8903 7.8911 10.3108 10.3175 10.7944 10.8192 13.0131 13.0182 15.0529 15.1011 15.9783 15.9784 16.8388 16.8535 17.7320 17.7827 k = 0.5000-0.1203 0.5273 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6812 -24.6435 -23.9099 -23.8621 -23.7906 -23.7847 -0.2961 -0.2702 7.9281 7.9289 10.2684 10.2752 10.7956 10.8214 13.0040 13.0093 15.0121 15.0603 15.9777 15.9778 16.8528 16.8682 17.7742 17.8250 k = 0.5000-0.1123 0.5330 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6816 -24.6426 -23.9101 -23.8600 -23.7924 -23.7857 -0.2968 -0.2701 7.9665 7.9673 10.2253 10.2324 10.7968 10.8234 12.9951 13.0005 14.9736 15.0218 15.9775 15.9775 16.8665 16.8824 17.8137 17.8647 k = 0.5000-0.1042 0.5387 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6819 -24.6417 -23.9103 -23.8580 -23.7943 -23.7866 -0.2975 -0.2700 8.0053 8.0061 10.1819 10.1892 10.7980 10.8254 12.9866 12.9922 14.9375 14.9857 15.9775 15.9775 16.8796 16.8961 17.8508 17.9019 k = 0.5000-0.0962 0.5443 ( 782 PWs) bands (ev): -50.1338 -50.1338 -24.6821 -24.6409 -23.9105 -23.8559 -23.7962 -23.7875 -0.2981 -0.2699 8.0440 8.0448 10.1386 10.1460 10.7991 10.8273 12.9785 12.9842 14.9039 14.9521 15.9776 15.9776 16.8921 16.9091 17.8852 17.9364 k = 0.5000-0.0882 0.5500 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6824 -24.6401 -23.9106 -23.8538 -23.7981 -23.7883 -0.2987 -0.2698 8.0825 8.0833 10.0956 10.1032 10.8002 10.8291 12.9708 12.9767 14.8729 14.9210 15.9779 15.9779 16.9040 16.9214 17.9169 17.9683 k = 0.5000-0.0802 0.5557 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6826 -24.6393 -23.9107 -23.8517 -23.8000 -23.7891 -0.2993 -0.2698 8.1204 8.1212 10.0535 10.0613 10.8012 10.8308 12.9637 12.9696 14.8445 14.8926 15.9783 15.9784 16.9150 16.9329 17.9460 17.9974 k = 0.5000-0.0722 0.5613 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6828 -24.6387 -23.9108 -23.8497 -23.8020 -23.7898 -0.2998 -0.2697 8.1572 8.1579 10.0127 10.0206 10.8022 10.8324 12.9571 12.9631 14.8187 14.8667 15.9788 15.9788 16.9253 16.9436 17.9724 18.0239 k = 0.5000-0.0642 0.5670 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6829 -24.6380 -23.9109 -23.8476 -23.8039 -23.7905 -0.3002 -0.2696 8.1924 8.1931 9.9737 9.9818 10.8030 10.8338 12.9511 12.9572 14.7956 14.8436 15.9792 15.9792 16.9346 16.9532 17.9960 18.0476 k = 0.5000-0.0561 0.5727 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6831 -24.6375 -23.9110 -23.8456 -23.8058 -23.7911 -0.3006 -0.2696 8.2256 8.2262 9.9371 9.9453 10.8038 10.8351 12.9457 12.9519 14.7752 14.8231 15.9796 15.9796 16.9429 16.9619 18.0169 18.0685 k = 0.5000-0.0481 0.5784 ( 780 PWs) bands (ev): -50.1338 -50.1338 -24.6832 -24.6370 -23.9110 -23.8437 -23.8077 -23.7917 -0.3010 -0.2696 8.2561 8.2567 9.9035 9.9118 10.8045 10.8362 12.9409 12.9472 14.7575 14.8054 15.9800 15.9800 16.9502 16.9695 18.0350 18.0867 k = 0.5000-0.0401 0.5840 ( 780 PWs) bands (ev): -50.1338 -50.1338 -24.6833 -24.6366 -23.9111 -23.8418 -23.8094 -23.7921 -0.3013 -0.2695 8.2834 8.2840 9.8735 9.8819 10.8051 10.8371 12.9369 12.9432 14.7426 14.7903 15.9803 15.9804 16.9565 16.9760 18.0504 18.1021 k = 0.5000-0.0321 0.5897 ( 780 PWs) bands (ev): -50.1338 -50.1338 -24.6834 -24.6363 -23.9111 -23.8401 -23.8111 -23.7925 -0.3016 -0.2695 8.3069 8.3074 9.8478 9.8563 10.8056 10.8379 12.9335 12.9399 14.7303 14.7780 15.9807 15.9807 16.9617 16.9814 18.0630 18.1147 k = 0.5000-0.0241 0.5954 ( 780 PWs) bands (ev): -50.1338 -50.1338 -24.6834 -24.6360 -23.9111 -23.8387 -23.8125 -23.7928 -0.3018 -0.2695 8.3259 8.3264 9.8271 9.8356 10.8060 10.8386 12.9309 12.9373 14.7208 14.7685 15.9809 15.9810 16.9658 16.9856 18.0728 18.1246 k = 0.5000-0.0160 0.6010 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6835 -24.6358 -23.9111 -23.8375 -23.8136 -23.7931 -0.3019 -0.2695 8.3399 8.3403 9.8118 9.8204 10.8064 10.8390 12.9291 12.9355 14.7140 14.7617 15.9811 15.9812 16.9687 16.9887 18.0798 18.1316 k = 0.5000-0.0080 0.6067 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6835 -24.6357 -23.9111 -23.8368 -23.8144 -23.7932 -0.3020 -0.2695 8.3485 8.3489 9.8024 9.8111 10.8065 10.8393 12.9279 12.9344 14.7099 14.7576 15.9812 15.9813 16.9705 16.9905 18.0840 18.1358 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6835 -24.6357 -23.9111 -23.8365 -23.8146 -23.7932 -0.3020 -0.2695 8.3514 8.3518 9.7992 9.8079 10.8066 10.8394 12.9275 12.9340 14.7085 14.7562 15.9813 15.9814 16.9711 16.9911 18.0854 18.1372 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6835 -24.6357 -23.9111 -23.8365 -23.8146 -23.7932 -0.3020 -0.2695 8.3514 8.3518 9.7992 9.8079 10.8066 10.8394 12.9275 12.9340 14.7085 14.7562 15.9813 15.9814 16.9711 16.9911 18.0854 18.1372 k = 0.4952 0.0083 0.6124 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6835 -24.6357 -23.9111 -23.8366 -23.8145 -23.7932 -0.3022 -0.2697 8.3502 8.3508 9.8001 9.8088 10.8058 10.8386 12.9287 12.9351 14.7098 14.7574 15.9805 15.9818 16.9714 16.9917 18.0848 18.1366 k = 0.4904 0.0167 0.6124 ( 774 PWs) bands (ev): -50.1338 -50.1338 -24.6834 -24.6357 -23.9111 -23.8370 -23.8140 -23.7929 -0.3026 -0.2702 8.3467 8.3477 9.8027 9.8113 10.8034 10.8362 12.9318 12.9383 14.7136 14.7612 15.9791 15.9818 16.9726 16.9933 18.0830 18.1347 k = 0.4856 0.0250 0.6124 ( 777 PWs) bands (ev): -50.1338 -50.1338 -24.6834 -24.6357 -23.9111 -23.8377 -23.8132 -23.7926 -0.3033 -0.2710 8.3411 8.3425 9.8071 9.8158 10.7995 10.8322 12.9366 12.9432 14.7202 14.7677 15.9771 15.9814 16.9746 16.9962 18.0796 18.1313 k = 0.4808 0.0333 0.6124 ( 777 PWs) bands (ev): -50.1338 -50.1338 -24.6832 -24.6358 -23.9112 -23.8385 -23.8122 -23.7921 -0.3043 -0.2720 8.3335 8.3354 9.8135 9.8222 10.7940 10.8266 12.9427 12.9495 14.7296 14.7769 15.9745 15.9804 16.9777 17.0004 18.0746 18.1262 k = 0.4760 0.0416 0.6124 ( 777 PWs) bands (ev): -50.1339 -50.1339 -24.6831 -24.6358 -23.9112 -23.8394 -23.8111 -23.7915 -0.3054 -0.2733 8.3242 8.3264 9.8218 9.8305 10.7869 10.8195 12.9497 12.9569 14.7418 14.7889 15.9712 15.9788 16.9820 17.0061 18.0678 18.1193 k = 0.4712 0.0500 0.6124 ( 777 PWs) bands (ev): -50.1339 -50.1339 -24.6829 -24.6359 -23.9112 -23.8404 -23.8098 -23.7908 -0.3067 -0.2748 8.3133 8.3158 9.8320 9.8409 10.7783 10.8107 12.9575 12.9650 14.7569 14.8037 15.9674 15.9766 16.9875 17.0132 18.0590 18.1104 k = 0.4663 0.0583 0.6124 ( 777 PWs) bands (ev): -50.1340 -50.1340 -24.6827 -24.6360 -23.9113 -23.8414 -23.8085 -23.7899 -0.3082 -0.2764 8.3010 8.3038 9.8442 9.8533 10.7682 10.8004 12.9656 12.9736 14.7746 14.8211 15.9630 15.9739 16.9945 17.0218 18.0482 18.0994 k = 0.4615 0.0666 0.6124 ( 774 PWs) bands (ev): -50.1340 -50.1340 -24.6825 -24.6361 -23.9114 -23.8425 -23.8071 -23.7890 -0.3098 -0.2782 8.2876 8.2906 9.8582 9.8676 10.7565 10.7886 12.9738 12.9824 14.7949 14.8410 15.9580 15.9706 17.0029 17.0320 18.0352 18.0862 k = 0.4567 0.0749 0.6124 ( 773 PWs) bands (ev): -50.1341 -50.1341 -24.6823 -24.6362 -23.9115 -23.8436 -23.8057 -23.7881 -0.3114 -0.2801 8.2733 8.2764 9.8739 9.8838 10.7434 10.7752 12.9820 12.9913 14.8176 14.8633 15.9526 15.9669 17.0129 17.0438 18.0199 18.0707 k = 0.4519 0.0833 0.6124 ( 773 PWs) bands (ev): -50.1342 -50.1342 -24.6820 -24.6363 -23.9117 -23.8446 -23.8042 -23.7870 -0.3131 -0.2821 8.2584 8.2616 9.8914 9.9019 10.7288 10.7603 12.9900 13.0000 14.8424 14.8875 15.9469 15.9627 17.0244 17.0572 18.0024 18.0530 k = 0.4471 0.0916 0.6124 ( 775 PWs) bands (ev): -50.1342 -50.1342 -24.6818 -24.6364 -23.9118 -23.8456 -23.8028 -23.7860 -0.3149 -0.2841 8.2430 8.2463 9.9104 9.9216 10.7127 10.7439 12.9976 13.0084 14.8688 14.9134 15.9409 15.9581 17.0377 17.0723 17.9826 18.0329 k = 0.4423 0.0999 0.6124 ( 775 PWs) bands (ev): -50.1343 -50.1343 -24.6816 -24.6366 -23.9120 -23.8466 -23.8014 -23.7849 -0.3166 -0.2861 8.2274 8.2309 9.9309 9.9429 10.6953 10.7260 13.0049 13.0164 14.8967 14.9405 15.9348 15.9533 17.0526 17.0890 17.9606 18.0105 k = 0.4375 0.1083 0.6124 ( 777 PWs) bands (ev): -50.1344 -50.1344 -24.6813 -24.6367 -23.9122 -23.8475 -23.8000 -23.7839 -0.3184 -0.2881 8.2119 8.2154 9.9528 9.9657 10.6765 10.7068 13.0116 13.0240 14.9255 14.9686 15.9286 15.9482 17.0693 17.1074 17.9364 17.9860 k = 0.4327 0.1166 0.6124 ( 777 PWs) bands (ev): -50.1344 -50.1344 -24.6811 -24.6368 -23.9124 -23.8484 -23.7987 -23.7828 -0.3201 -0.2901 8.1967 8.2002 9.9760 9.9899 10.6565 10.6862 13.0179 13.0310 14.9548 14.9971 15.9225 15.9431 17.0877 17.1276 17.9100 17.9592 k = 0.4279 0.1249 0.6124 ( 780 PWs) bands (ev): -50.1345 -50.1345 -24.6809 -24.6370 -23.9126 -23.8493 -23.7974 -23.7818 -0.3217 -0.2920 8.1820 8.1855 10.0002 10.0152 10.6352 10.6644 13.0236 13.0375 14.9842 15.0254 15.9167 15.9380 17.1080 17.1495 17.8816 17.9304 k = 0.4231 0.1332 0.6124 ( 780 PWs) bands (ev): -50.1346 -50.1346 -24.6806 -24.6371 -23.9128 -23.8500 -23.7962 -23.7809 -0.3233 -0.2939 8.1679 8.1715 10.0254 10.0416 10.6129 10.6414 13.0288 13.0434 15.0131 15.0532 15.9111 15.9329 17.1299 17.1730 17.8514 17.8998 k = 0.4183 0.1416 0.6124 ( 780 PWs) bands (ev): -50.1346 -50.1346 -24.6804 -24.6372 -23.9130 -23.8507 -23.7951 -23.7800 -0.3248 -0.2956 8.1546 8.1582 10.0515 10.0689 10.5896 10.6172 13.0335 13.0487 15.0411 15.0800 15.9060 15.9281 17.1536 17.1982 17.8195 17.8674 k = 0.4135 0.1499 0.6124 ( 780 PWs) bands (ev): -50.1347 -50.1347 -24.6802 -24.6374 -23.9131 -23.8514 -23.7941 -23.7792 -0.3262 -0.2972 8.1423 8.1460 10.0782 10.0970 10.5654 10.5921 13.0376 13.0535 15.0678 15.1052 15.9014 15.9234 17.1790 17.2251 17.7862 17.8335 k = 0.4087 0.1582 0.6124 ( 782 PWs) bands (ev): -50.1347 -50.1347 -24.6801 -24.6375 -23.9133 -23.8519 -23.7931 -23.7784 -0.3274 -0.2987 8.1312 8.1348 10.1053 10.1256 10.5405 10.5661 13.0412 13.0576 15.0926 15.1285 15.8974 15.9191 17.2059 17.2534 17.7519 17.7984 k = 0.4038 0.1665 0.6124 ( 790 PWs) bands (ev): -50.1348 -50.1348 -24.6799 -24.6376 -23.9135 -23.8524 -23.7923 -23.7777 -0.3285 -0.3000 8.1213 8.1249 10.1327 10.1546 10.5152 10.5395 13.0443 13.0612 15.1151 15.1493 15.8940 15.9151 17.2341 17.2829 17.7168 17.7623 k = 0.3990 0.1749 0.6124 ( 790 PWs) bands (ev): -50.1348 -50.1348 -24.6798 -24.6377 -23.9136 -23.8529 -23.7915 -23.7772 -0.3295 -0.3011 8.1127 8.1164 10.1601 10.1836 10.4897 10.5124 13.0469 13.0642 15.1350 15.1675 15.8912 15.9115 17.2633 17.3136 17.6815 17.7259 k = 0.3942 0.1832 0.6124 ( 790 PWs) bands (ev): -50.1348 -50.1348 -24.6797 -24.6378 -23.9137 -23.8532 -23.7909 -23.7767 -0.3303 -0.3020 8.1056 8.1092 10.1868 10.2123 10.4645 10.4853 13.0490 13.0667 15.1518 15.1827 15.8891 15.9084 17.2929 17.3446 17.6469 17.6897 k = 0.3894 0.1915 0.6124 ( 790 PWs) bands (ev): -50.1349 -50.1349 -24.6796 -24.6378 -23.9138 -23.8535 -23.7905 -23.7763 -0.3309 -0.3028 8.1000 8.1036 10.2122 10.2400 10.4405 10.4587 13.0507 13.0686 15.1653 15.1946 15.8876 15.9059 17.3219 17.3752 17.6142 17.6545 k = 0.3846 0.1999 0.6124 ( 790 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8537 -23.7901 -23.7761 -0.3313 -0.3033 8.0960 8.0996 10.2347 10.2653 10.4193 10.4339 13.0518 13.0699 15.1752 15.2032 15.8866 15.9041 17.3484 17.4033 17.5858 17.6223 k = 0.3798 0.2082 0.6124 ( 786 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8538 -23.7899 -23.7759 -0.3316 -0.3036 8.0935 8.0972 10.2515 10.2849 10.4042 10.4137 13.0525 13.0708 15.1812 15.2085 15.8860 15.9029 17.3686 17.4250 17.5656 17.5970 k = 0.3750 0.2165 0.6124 ( 786 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8538 -23.7898 -23.7758 -0.3317 -0.3037 8.0927 8.0963 10.2580 10.2929 10.3991 10.4046 13.0528 13.0710 15.1833 15.2102 15.8858 15.9025 17.3766 17.4335 17.5585 17.5864 k = 0.3750 0.2165 0.6124 ( 786 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8538 -23.7898 -23.7758 -0.3317 -0.3037 8.0927 8.0963 10.2580 10.2929 10.3991 10.4046 13.0528 13.0710 15.1833 15.2102 15.8858 15.9025 17.3766 17.4335 17.5585 17.5864 k = 0.3701 0.2137 0.6044 ( 786 PWs) bands (ev): -50.1351 -50.1351 -24.6792 -24.6369 -23.9140 -23.8522 -23.7901 -23.7752 -0.3374 -0.3089 8.1323 8.1363 10.2056 10.2402 10.3745 10.3799 13.0778 13.0970 15.1517 15.1786 15.9161 15.9317 17.3687 17.4253 17.6141 17.6415 k = 0.3653 0.2109 0.5965 ( 790 PWs) bands (ev): -50.1353 -50.1353 -24.6788 -24.6358 -23.9141 -23.8507 -23.7901 -23.7744 -0.3436 -0.3147 8.1719 8.1764 10.1508 10.1849 10.3497 10.3550 13.1082 13.1282 15.1200 15.1468 15.9482 15.9627 17.3585 17.4150 17.6702 17.6974 k = 0.3604 0.2081 0.5885 ( 794 PWs) bands (ev): -50.1355 -50.1355 -24.6784 -24.6348 -23.9140 -23.8492 -23.7900 -23.7735 -0.3503 -0.3211 8.2115 8.2164 10.0940 10.1274 10.3247 10.3300 13.1441 13.1648 15.0882 15.1150 15.9817 15.9951 17.3466 17.4030 17.7269 17.7537 k = 0.3555 0.2053 0.5806 ( 786 PWs) bands (ev): -50.1357 -50.1357 -24.6779 -24.6338 -23.9138 -23.8479 -23.7896 -23.7725 -0.3576 -0.3281 8.2509 8.2563 10.0353 10.0680 10.2995 10.3048 13.1856 13.2069 15.0565 15.0832 16.0160 16.0283 17.3335 17.3897 17.7839 17.8106 k = 0.3506 0.2024 0.5726 ( 786 PWs) bands (ev): -50.1359 -50.1359 -24.6772 -24.6328 -23.9135 -23.8466 -23.7890 -23.7714 -0.3654 -0.3357 8.2899 8.2959 9.9752 10.0070 10.2742 10.2795 13.2325 13.2544 15.0247 15.0513 16.0507 16.0618 17.3196 17.3756 17.8412 17.8677 k = 0.3458 0.1996 0.5647 ( 792 PWs) bands (ev): -50.1362 -50.1362 -24.6765 -24.6317 -23.9131 -23.8455 -23.7881 -23.7702 -0.3740 -0.3440 8.3284 8.3350 9.9141 9.9448 10.2488 10.2542 13.2847 13.3072 14.9930 15.0195 16.0850 16.0949 17.3056 17.3612 17.8988 17.9252 k = 0.3409 0.1968 0.5567 ( 792 PWs) bands (ev): -50.1365 -50.1365 -24.6757 -24.6307 -23.9126 -23.8444 -23.7871 -23.7688 -0.3831 -0.3531 8.3663 8.3735 9.8522 9.8818 10.2234 10.2288 13.3423 13.3653 14.9614 14.9878 16.1184 16.1270 17.2921 17.3472 17.9565 17.9828 k = 0.3360 0.1940 0.5487 ( 792 PWs) bands (ev): -50.1368 -50.1368 -24.6748 -24.6297 -23.9119 -23.8435 -23.7858 -23.7674 -0.3929 -0.3628 8.4032 8.4112 9.7900 9.8183 10.1979 10.2033 13.4051 13.4285 14.9300 14.9563 16.1501 16.1571 17.2799 17.3343 18.0144 18.0406 k = 0.3312 0.1912 0.5408 ( 792 PWs) bands (ev): -50.1371 -50.1371 -24.6738 -24.6286 -23.9110 -23.8425 -23.7843 -23.7659 -0.4034 -0.3734 8.4392 8.4480 9.7280 9.7549 10.1725 10.1779 13.4730 13.4968 14.8989 14.9250 16.1792 16.1846 17.2699 17.3232 18.0723 18.0984 k = 0.3263 0.1884 0.5328 ( 792 PWs) bands (ev): -50.1375 -50.1375 -24.6727 -24.6275 -23.9100 -23.8417 -23.7826 -23.7643 -0.4147 -0.3847 8.4738 8.4835 9.6666 9.6919 10.1471 10.1526 13.5456 13.5700 14.8680 14.8940 16.2051 16.2085 17.2628 17.3148 18.1302 18.1561 k = 0.3214 0.1856 0.5249 ( 792 PWs) bands (ev): -50.1379 -50.1379 -24.6715 -24.6265 -23.9089 -23.8408 -23.7807 -23.7626 -0.4267 -0.3968 8.5068 8.5176 9.6061 9.6297 10.1217 10.1272 13.6229 13.6478 14.8375 14.8634 16.2270 16.2280 17.2596 17.3100 18.1880 18.2138 k = 0.3166 0.1828 0.5169 ( 790 PWs) bands (ev): -50.1383 -50.1383 -24.6701 -24.6253 -23.9075 -23.8400 -23.7787 -23.7608 -0.4395 -0.4098 8.5380 8.5498 9.5473 9.5690 10.0964 10.1020 13.7047 13.7300 14.8075 14.8333 16.2424 16.2440 17.2610 17.3094 18.2456 18.2714 k = 0.3117 0.1800 0.5090 ( 790 PWs) bands (ev): -50.1387 -50.1387 -24.6687 -24.6242 -23.9060 -23.8392 -23.7765 -23.7589 -0.4530 -0.4236 8.5669 8.5800 9.4906 9.5103 10.0712 10.0768 13.7906 13.8164 14.7779 14.8036 16.2511 16.2556 17.2678 17.3139 18.3031 18.3287 k = 0.3068 0.1771 0.5010 ( 790 PWs) bands (ev): -50.1392 -50.1392 -24.6671 -24.6230 -23.9044 -23.8383 -23.7742 -23.7570 -0.4674 -0.4383 8.5931 8.6075 9.4367 9.4543 10.0461 10.0517 13.8803 13.9068 14.7490 14.7745 16.2539 16.2614 17.2802 17.3237 18.3602 18.3858 k = 0.3019 0.1743 0.4931 ( 790 PWs) bands (ev): -50.1397 -50.1397 -24.6654 -24.6218 -23.9025 -23.8375 -23.7718 -23.7550 -0.4827 -0.4538 8.6159 8.6319 9.3864 9.4015 10.0211 10.0268 13.9737 14.0007 14.7206 14.7460 16.2506 16.2613 17.2985 17.3393 18.4171 18.4426 k = 0.2971 0.1715 0.4851 ( 796 PWs) bands (ev): -50.1402 -50.1402 -24.6636 -24.6205 -23.9005 -23.8365 -23.7692 -23.7530 -0.4988 -0.4703 8.6347 8.6523 9.3404 9.3531 9.9963 10.0019 14.0703 14.0980 14.6929 14.7183 16.2416 16.2556 17.3225 17.3605 18.4735 18.4989 k = 0.2922 0.1687 0.4772 ( 796 PWs) bands (ev): -50.1408 -50.1408 -24.6617 -24.6192 -23.8983 -23.8355 -23.7666 -23.7509 -0.5157 -0.4877 8.6487 8.6681 9.2998 9.3098 9.9715 9.9772 14.1698 14.1982 14.6660 14.6913 16.2275 16.2447 17.3519 17.3870 18.5295 18.5548 k = 0.2873 0.1659 0.4692 ( 792 PWs) bands (ev): -50.1413 -50.1413 -24.6596 -24.6178 -23.8959 -23.8344 -23.7639 -23.7487 -0.5336 -0.5060 8.6571 8.6783 9.2653 9.2727 9.9469 9.9527 14.2717 14.3009 14.6401 14.6653 16.2091 16.2294 17.3860 17.4186 18.5850 18.6102 k = 0.2825 0.1631 0.4613 ( 792 PWs) bands (ev): -50.1419 -50.1419 -24.6574 -24.6163 -23.8933 -23.8332 -23.7612 -23.7466 -0.5523 -0.5253 8.6593 8.6821 9.2378 9.2428 9.9225 9.9282 14.3752 14.4055 14.6151 14.6406 16.1873 16.2104 17.4244 17.4545 18.6400 18.6650 k = 0.2776 0.1603 0.4533 ( 792 PWs) bands (ev): -50.1425 -50.1425 -24.6551 -24.6148 -23.8905 -23.8319 -23.7583 -23.7443 -0.5719 -0.5455 8.6550 8.6790 9.2177 9.2205 9.8982 9.9039 14.4789 14.5107 14.5919 14.6179 16.1632 16.1890 17.4663 17.4942 18.6943 18.7193 k = 0.2727 0.1575 0.4454 ( 788 PWs) bands (ev): -50.1432 -50.1432 -24.6526 -24.6132 -23.8876 -23.8304 -23.7555 -23.7421 -0.5924 -0.5666 8.6444 8.6691 9.2049 9.2061 9.8740 9.8798 14.5644 14.5676 14.6120 14.6219 16.1381 16.1663 17.5112 17.5371 18.7480 18.7728 k = 0.2679 0.1546 0.4374 ( 788 PWs) bands (ev): -50.1439 -50.1439 -24.6500 -24.6116 -23.8844 -23.8289 -23.7526 -23.7398 -0.6139 -0.5887 8.6281 8.6530 9.1986 9.1988 9.8500 9.8558 14.5440 14.5647 14.6984 14.7267 16.1133 16.1435 17.5585 17.5825 18.8009 18.8256 k = 0.2630 0.1518 0.4295 ( 788 PWs) bands (ev): -50.1446 -50.1446 -24.6473 -24.6098 -23.8811 -23.8272 -23.7497 -23.7374 -0.6362 -0.6117 8.6073 8.6319 9.1976 9.1981 9.8262 9.8319 14.5232 14.5452 14.8010 14.8314 16.0904 16.1225 17.6076 17.6301 18.8530 18.8777 k = 0.2581 0.1490 0.4215 ( 788 PWs) bands (ev): -50.1453 -50.1453 -24.6445 -24.6080 -23.8776 -23.8254 -23.7468 -23.7351 -0.6595 -0.6356 8.5832 8.6070 9.2012 9.2019 9.8024 9.8082 14.5035 14.5258 14.9017 14.9330 16.0716 16.1049 17.6583 17.6793 18.9044 18.9289 k = 0.2532 0.1462 0.4136 ( 792 PWs) bands (ev): -50.1461 -50.1461 -24.6415 -24.6061 -23.8740 -23.8235 -23.7439 -23.7327 -0.6836 -0.6605 8.5571 8.5799 9.2084 9.2090 9.7789 9.7846 14.4849 14.5073 14.9974 15.0289 16.0592 16.0933 17.7100 17.7297 18.9548 18.9792 k = 0.2484 0.1434 0.4056 ( 792 PWs) bands (ev): -50.1469 -50.1469 -24.6385 -24.6041 -23.8702 -23.8214 -23.7409 -23.7304 -0.7086 -0.6863 8.5299 8.5515 9.2180 9.2183 9.7554 9.7611 14.4677 14.4899 15.0853 15.1161 16.0567 16.0905 17.7626 17.7810 19.0043 19.0286 k = 0.2435 0.1406 0.3976 ( 792 PWs) bands (ev): -50.1477 -50.1477 -24.6353 -24.6020 -23.8662 -23.8192 -23.7380 -23.7280 -0.7345 -0.7129 8.5025 8.5229 9.2290 9.2291 9.7321 9.7378 14.4517 14.4738 15.1620 15.1908 16.0677 16.0999 17.8156 17.8330 19.0529 19.0770 k = 0.2386 0.1378 0.3897 ( 792 PWs) bands (ev): -50.1485 -50.1485 -24.6320 -24.5998 -23.8620 -23.8169 -23.7351 -23.7256 -0.7613 -0.7405 8.4757 8.4947 9.2405 9.2409 9.7090 9.7146 14.4371 14.4591 15.2243 15.2496 16.0958 16.1249 17.8689 17.8853 19.1004 19.1244 k = 0.2338 0.1350 0.3817 ( 792 PWs) bands (ev): -50.1493 -50.1493 -24.6285 -24.5976 -23.8577 -23.8144 -23.7322 -23.7232 -0.7888 -0.7688 8.4499 8.4676 9.2522 9.2530 9.6860 9.6916 14.4240 14.4458 15.2699 15.2903 16.1433 16.1678 17.9223 17.9377 19.1469 19.1707 k = 0.2289 0.1322 0.3738 ( 796 PWs) bands (ev): -50.1502 -50.1502 -24.6250 -24.5952 -23.8533 -23.8118 -23.7293 -23.7209 -0.8172 -0.7980 8.4256 8.4419 9.2637 9.2649 9.6631 9.6687 14.4123 14.4338 15.2984 15.3132 16.2098 16.2288 17.9755 17.9901 19.1922 19.2159 k = 0.2240 0.1293 0.3658 ( 796 PWs) bands (ev): -50.1511 -50.1511 -24.6214 -24.5928 -23.8487 -23.8090 -23.7265 -23.7185 -0.8463 -0.8279 8.4030 8.4181 9.2747 9.2762 9.6404 9.6459 14.4020 14.4234 15.3116 15.3207 16.2928 16.3064 18.0285 18.0423 19.2365 19.2600 k = 0.2192 0.1265 0.3579 ( 796 PWs) bands (ev): -50.1520 -50.1520 -24.6177 -24.5903 -23.8440 -23.8061 -23.7236 -23.7161 -0.8761 -0.8586 8.3824 8.3962 9.2849 9.2868 9.6178 9.6233 14.3934 14.4145 15.3124 15.3165 16.3887 16.3973 18.0811 18.0941 19.2795 19.3028 k = 0.2143 0.1237 0.3499 ( 797 PWs) bands (ev): -50.1530 -50.1530 -24.6139 -24.5877 -23.8391 -23.8031 -23.7208 -23.7138 -0.9067 -0.8900 8.3639 8.3766 9.2942 9.2964 9.5954 9.6008 14.3862 14.4071 15.3038 15.3040 16.4940 16.4984 18.1332 18.1454 19.3213 19.3444 k = 0.2094 0.1209 0.3420 ( 793 PWs) bands (ev): -50.1539 -50.1539 -24.6100 -24.5850 -23.8342 -23.7999 -23.7180 -23.7115 -0.9378 -0.9220 8.3478 8.3593 9.3025 9.3049 9.5731 9.5784 14.3806 14.4013 15.2855 15.2892 16.6057 16.6068 18.1848 18.1962 19.3618 19.3848 k = 0.2045 0.1181 0.3340 ( 793 PWs) bands (ev): -50.1549 -50.1548 -24.6060 -24.5823 -23.8291 -23.7966 -23.7153 -23.7092 -0.9696 -0.9546 8.3341 8.3444 9.3095 9.3122 9.5510 9.5562 14.3766 14.3969 15.2636 15.2700 16.7202 16.7217 18.2356 18.2463 19.4011 19.4238 k = 0.1997 0.1153 0.3261 ( 797 PWs) bands (ev): -50.1558 -50.1558 -24.6020 -24.5795 -23.8239 -23.7931 -23.7126 -23.7069 -1.0020 -0.9877 8.3228 8.3320 9.3152 9.3182 9.5290 9.5342 14.3741 14.3942 15.2394 15.2480 16.8368 16.8403 18.2857 18.2956 19.4390 19.4615 k = 0.1948 0.1125 0.3181 ( 797 PWs) bands (ev): -50.1568 -50.1568 -24.5980 -24.5766 -23.8187 -23.7896 -23.7100 -23.7046 -1.0348 -1.0214 8.3140 8.3222 9.3196 9.3227 9.5072 9.5123 14.3731 14.3930 15.2142 15.2245 16.9552 16.9603 18.3350 18.3442 19.4755 19.4978 k = 0.1899 0.1097 0.3102 ( 797 PWs) bands (ev): -50.1578 -50.1578 -24.5938 -24.5737 -23.8133 -23.7859 -23.7074 -23.7024 -1.0681 -1.0555 8.3077 8.3149 9.3226 9.3259 9.4855 9.4906 14.3738 14.3933 15.1885 15.2002 17.0742 17.0805 18.3835 18.3918 19.5107 19.5328 k = 0.1851 0.1068 0.3022 ( 799 PWs) bands (ev): -50.1588 -50.1588 -24.5897 -24.5707 -23.8079 -23.7821 -23.7048 -23.7002 -1.1018 -1.0899 8.3039 8.3101 9.3242 9.3276 9.4641 9.4690 14.3759 14.3952 15.1631 15.1758 17.1931 17.2001 18.4311 18.4385 19.5444 19.5663 k = 0.1802 0.1040 0.2943 ( 799 PWs) bands (ev): -50.1598 -50.1598 -24.5855 -24.5677 -23.8023 -23.7782 -23.7023 -23.6981 -1.1358 -1.1247 8.3026 8.3080 9.3244 9.3279 9.4428 9.4477 14.3796 14.3986 15.1381 15.1517 17.3108 17.3183 18.4778 18.4842 19.5767 19.5984 k = 0.1753 0.1012 0.2863 ( 795 PWs) bands (ev): -50.1608 -50.1608 -24.5813 -24.5646 -23.7968 -23.7742 -23.6999 -23.6959 -1.1701 -1.1597 8.3037 8.3083 9.3231 9.3267 9.4218 9.4266 14.3848 14.4034 15.1141 15.1284 17.4267 17.4343 18.5236 18.5289 19.6076 19.6290 k = 0.1705 0.0984 0.2784 ( 791 PWs) bands (ev): -50.1618 -50.1618 -24.5771 -24.5615 -23.7912 -23.7702 -23.6975 -23.6939 -1.2046 -1.1949 8.3073 8.3110 9.3204 9.3241 9.4010 9.4057 14.3914 14.4098 15.0912 15.1059 17.5401 17.5475 18.5685 18.5726 19.6370 19.6581 k = 0.1656 0.0956 0.2704 ( 791 PWs) bands (ev): -50.1629 -50.1629 -24.5729 -24.5584 -23.7855 -23.7660 -23.6951 -23.6918 -1.2391 -1.2302 8.3133 8.3162 9.3164 9.3201 9.3805 9.3850 14.3995 14.4175 15.0693 15.0844 17.6500 17.6569 18.6126 18.6152 19.6649 19.6857 k = 0.1607 0.0928 0.2624 ( 797 PWs) bands (ev): -50.1639 -50.1639 -24.5687 -24.5552 -23.7798 -23.7617 -23.6928 -23.6898 -1.2738 -1.2655 8.3215 8.3237 9.3110 9.3148 9.3602 9.3646 14.4088 14.4265 15.0488 15.0641 17.7556 17.7617 18.6559 18.6569 19.6913 19.7119 k = 0.1558 0.0900 0.2545 ( 801 PWs) bands (ev): -50.1649 -50.1649 -24.5645 -24.5521 -23.7741 -23.7574 -23.6906 -23.6879 -1.3084 -1.3008 8.3319 8.3335 9.3044 9.3081 9.3402 9.3445 14.4196 14.4369 15.0297 15.0451 17.8559 17.8608 18.6978 18.6988 19.7163 19.7365 k = 0.1510 0.0872 0.2465 ( 801 PWs) bands (ev): -50.1659 -50.1659 -24.5604 -24.5489 -23.7684 -23.7531 -23.6885 -23.6859 -1.3430 -1.3360 8.3445 8.3455 9.2964 9.3002 9.3206 9.3248 14.4315 14.4485 15.0120 15.0275 17.9496 17.9530 18.7383 18.7415 19.7397 19.7596 k = 0.1461 0.0844 0.2386 ( 801 PWs) bands (ev): -50.1670 -50.1670 -24.5563 -24.5457 -23.7627 -23.7486 -23.6864 -23.6841 -1.3774 -1.3710 8.3591 8.3595 9.2872 9.2908 9.3017 9.3055 14.4447 14.4612 14.9957 15.0111 18.0352 18.0368 18.7788 18.7846 19.7616 19.7813 k = 0.1412 0.0815 0.2306 ( 801 PWs) bands (ev): -50.1680 -50.1679 -24.5523 -24.5426 -23.7570 -23.7442 -23.6843 -23.6823 -1.4116 -1.4057 8.3754 8.3756 9.2765 9.2785 9.2849 9.2871 14.4589 14.4751 14.9808 14.9962 18.1104 18.1110 18.8200 18.8287 19.7821 19.8014 k = 0.1364 0.0787 0.2227 ( 803 PWs) bands (ev): -50.1689 -50.1689 -24.5483 -24.5395 -23.7514 -23.7397 -23.6824 -23.6805 -1.4454 -1.4401 8.3932 8.3939 9.2617 9.2631 9.2707 9.2720 14.4742 14.4901 14.9673 14.9825 18.1720 18.1748 18.8627 18.8746 19.8010 19.8201 k = 0.1315 0.0759 0.2147 ( 799 PWs) bands (ev): -50.1699 -50.1699 -24.5443 -24.5364 -23.7458 -23.7352 -23.6805 -23.6788 -1.4789 -1.4741 8.4128 8.4139 9.2438 9.2465 9.2572 9.2598 14.4905 14.5059 14.9551 14.9701 18.2195 18.2245 18.9080 18.9231 19.8184 19.8373 k = 0.1266 0.0731 0.2068 ( 799 PWs) bands (ev): -50.1709 -50.1709 -24.5405 -24.5333 -23.7402 -23.7307 -23.6786 -23.6771 -1.5119 -1.5076 8.4339 8.4354 9.2260 9.2290 9.2441 9.2471 14.5076 14.5226 14.9442 14.9590 18.2516 18.2583 18.9566 18.9745 19.8339 19.8531 k = 0.1218 0.0703 0.1988 ( 799 PWs) bands (ev): -50.1718 -50.1718 -24.5367 -24.5303 -23.7347 -23.7262 -23.6769 -23.6755 -1.5444 -1.5405 8.4565 8.4583 9.2085 9.2115 9.2307 9.2338 14.5255 14.5401 14.9346 14.9491 18.2673 18.2752 19.0089 19.0292 19.8456 19.8675 k = 0.1169 0.0675 0.1909 ( 799 PWs) bands (ev): -50.1727 -50.1727 -24.5331 -24.5273 -23.7293 -23.7217 -23.6752 -23.6740 -1.5763 -1.5728 8.4803 8.4825 9.1915 9.1944 9.2169 9.2200 14.5440 14.5582 14.9261 14.9403 18.2668 18.2752 19.0646 19.0866 19.8251 19.8333 k = 0.1120 0.0647 0.1829 ( 799 PWs) bands (ev): -50.1736 -50.1736 -24.5295 -24.5244 -23.7240 -23.7172 -23.6735 -23.6725 -1.6075 -1.6044 8.5053 8.5077 9.1749 9.1778 9.2028 9.2058 14.5632 14.5769 14.9187 14.9325 18.2510 18.2592 19.1229 19.1461 19.7912 19.7958 k = 0.1071 0.0619 0.1750 ( 797 PWs) bands (ev): -50.1745 -50.1745 -24.5261 -24.5215 -23.7189 -23.7129 -23.6720 -23.6711 -1.6380 -1.6353 8.5313 8.5340 9.1588 9.1615 9.1883 9.1912 14.5827 14.5960 14.9124 14.9257 18.2215 18.2292 19.1829 19.2066 19.7665 19.7690 k = 0.1023 0.0590 0.1670 ( 797 PWs) bands (ev): -50.1754 -50.1754 -24.5227 -24.5187 -23.7138 -23.7085 -23.6705 -23.6697 -1.6676 -1.6653 8.5581 8.5609 9.1432 9.1459 9.1736 9.1764 14.6026 14.6154 14.9069 14.9199 18.1806 18.1874 19.2434 19.2673 19.7511 19.7518 k = 0.0974 0.0562 0.1591 ( 797 PWs) bands (ev): -50.1762 -50.1762 -24.5195 -24.5160 -23.7088 -23.7043 -23.6691 -23.6684 -1.6964 -1.6944 8.5855 8.5885 9.1282 9.1307 9.1588 9.1615 14.6228 14.6351 14.9023 14.9149 18.1305 18.1364 19.3035 19.3272 19.7429 19.7436 k = 0.0925 0.0534 0.1511 ( 797 PWs) bands (ev): -50.1770 -50.1770 -24.5164 -24.5134 -23.7040 -23.7001 -23.6677 -23.6671 -1.7242 -1.7225 8.6133 8.6164 9.1137 9.1161 9.1440 9.1466 14.6430 14.6549 14.8985 14.9106 18.0734 18.0783 19.3624 19.3858 19.7408 19.7428 k = 0.0877 0.0506 0.1432 ( 797 PWs) bands (ev): -50.1778 -50.1778 -24.5135 -24.5109 -23.6994 -23.6960 -23.6664 -23.6659 -1.7510 -1.7495 8.6414 8.6446 9.0998 9.1021 9.1293 9.1318 14.6632 14.6746 14.8955 14.9070 18.0113 18.0154 19.4196 19.4425 19.7443 19.7472 k = 0.0828 0.0478 0.1352 ( 801 PWs) bands (ev): -50.1786 -50.1786 -24.5107 -24.5085 -23.6950 -23.6921 -23.6652 -23.6648 -1.7768 -1.7755 8.6695 8.6727 9.0865 9.0887 9.1147 9.1171 14.6833 14.6941 14.8930 14.9040 17.9461 17.9494 19.4746 19.4967 19.7520 19.7557 k = 0.0779 0.0450 0.1272 ( 801 PWs) bands (ev): -50.1793 -50.1793 -24.5080 -24.5062 -23.6907 -23.6883 -23.6641 -23.6637 -1.8014 -1.8003 8.6975 8.7007 9.0739 9.0759 9.1005 9.1028 14.7031 14.7134 14.8911 14.9016 17.8792 17.8819 19.5270 19.5484 19.7630 19.7672 k = 0.0731 0.0422 0.1193 ( 797 PWs) bands (ev): -50.1799 -50.1799 -24.5055 -24.5040 -23.6866 -23.6846 -23.6630 -23.6627 -1.8248 -1.8239 8.7252 8.7284 9.0620 9.0638 9.0867 9.0888 14.7226 14.7323 14.8897 14.8996 17.8120 17.8141 19.5766 19.5972 19.7762 19.7808 k = 0.0682 0.0394 0.1113 ( 797 PWs) bands (ev): -50.1806 -50.1806 -24.5031 -24.5019 -23.6827 -23.6811 -23.6620 -23.6617 -1.8470 -1.8463 8.7523 8.7554 9.0507 9.0524 9.0733 9.0753 14.7415 14.7507 14.8887 14.8980 17.7455 17.7471 19.6233 19.6429 19.7911 19.7959 k = 0.0633 0.0366 0.1034 ( 797 PWs) bands (ev): -50.1812 -50.1812 -24.5009 -24.4999 -23.6791 -23.6778 -23.6610 -23.6609 -1.8679 -1.8673 8.7786 8.7817 9.0401 9.0416 9.0605 9.0623 14.7598 14.7684 14.8881 14.8968 17.6806 17.6818 19.6669 19.6854 19.8069 19.8117 k = 0.0584 0.0337 0.0954 ( 799 PWs) bands (ev): -50.1817 -50.1817 -24.4988 -24.4980 -23.6757 -23.6746 -23.6602 -23.6600 -1.8874 -1.8869 8.8041 8.8070 9.0302 9.0316 9.0483 9.0500 14.7773 14.7853 14.8878 14.8959 17.6180 17.6190 19.7073 19.7247 19.8231 19.8278 k = 0.0536 0.0309 0.0875 ( 799 PWs) bands (ev): -50.1823 -50.1823 -24.4969 -24.4963 -23.6725 -23.6717 -23.6594 -23.6593 -1.9056 -1.9052 8.8283 8.8312 9.0211 9.0223 9.0369 9.0383 14.7940 14.8013 14.8877 14.8952 17.5585 17.5592 19.7445 19.7607 19.8393 19.8438 k = 0.0487 0.0281 0.0795 ( 791 PWs) bands (ev): -50.1827 -50.1827 -24.4952 -24.4947 -23.6696 -23.6690 -23.6587 -23.6586 -1.9223 -1.9220 8.8513 8.8540 9.0127 9.0137 9.0262 9.0275 14.8097 14.8164 14.8878 14.8947 17.5025 17.5031 19.7785 19.7934 19.8553 19.8593 k = 0.0438 0.0253 0.0716 ( 791 PWs) bands (ev): -50.1831 -50.1831 -24.4936 -24.4933 -23.6669 -23.6664 -23.6580 -23.6580 -1.9375 -1.9373 8.8727 8.8752 9.0050 9.0059 9.0164 9.0175 14.8243 14.8304 14.8881 14.8943 17.4506 17.4510 19.8092 19.8227 19.8705 19.8740 k = 0.0390 0.0225 0.0636 ( 791 PWs) bands (ev): -50.1835 -50.1835 -24.4922 -24.4920 -23.6645 -23.6642 -23.6574 -23.6574 -1.9512 -1.9511 8.8925 8.8947 8.9982 8.9989 9.0074 9.0083 14.8376 14.8431 14.8885 14.8941 17.4032 17.4034 19.8367 19.8487 19.8849 19.8877 k = 0.0341 0.0197 0.0557 ( 791 PWs) bands (ev): -50.1839 -50.1839 -24.4909 -24.4908 -23.6623 -23.6621 -23.6569 -23.6569 -1.9634 -1.9634 8.9103 8.9123 8.9921 8.9926 8.9995 9.0001 14.8497 14.8545 14.8890 14.8938 17.3605 17.3607 19.8609 19.8712 19.8983 19.9000 k = 0.0292 0.0169 0.0477 ( 791 PWs) bands (ev): -50.1842 -50.1842 -24.4899 -24.4898 -23.6605 -23.6603 -23.6565 -23.6565 -1.9741 -1.9740 8.9261 8.9279 8.9868 8.9871 8.9925 8.9930 14.8604 14.8646 14.8895 14.8937 17.3229 17.3230 19.8818 19.8902 19.9103 19.9108 k = 0.0244 0.0141 0.0398 ( 787 PWs) bands (ev): -50.1844 -50.1844 -24.4890 -24.4889 -23.6589 -23.6588 -23.6561 -23.6561 -1.9831 -1.9831 8.9398 8.9413 8.9823 8.9824 8.9866 8.9868 14.8697 14.8732 14.8900 14.8935 17.2907 17.2908 19.8994 19.9058 19.9198 19.9208 k = 0.0195 0.0112 0.0318 ( 773 PWs) bands (ev): -50.1846 -50.1846 -24.4882 -24.4882 -23.6576 -23.6575 -23.6558 -23.6558 -1.9905 -1.9905 8.9512 8.9524 8.9786 8.9787 8.9818 8.9819 14.8775 14.8803 14.8906 14.8935 17.2641 17.2641 19.9136 19.9179 19.9268 19.9293 k = 0.0146 0.0084 0.0239 ( 773 PWs) bands (ev): -50.1848 -50.1848 -24.4876 -24.4876 -23.6566 -23.6565 -23.6556 -23.6556 -1.9963 -1.9963 8.9602 8.9611 8.9755 8.9758 8.9779 8.9782 14.8836 14.8857 14.8911 14.8933 17.2431 17.2432 19.9244 19.9269 19.9317 19.9348 k = 0.0097 0.0056 0.0159 ( 769 PWs) bands (ev): -50.1849 -50.1849 -24.4872 -24.4872 -23.6558 -23.6558 -23.6554 -23.6554 -2.0005 -2.0005 8.9665 8.9672 8.9734 8.9738 8.9753 8.9756 14.8882 14.8896 14.8916 14.8930 17.2281 17.2281 19.9319 19.9331 19.9349 19.9374 k = 0.0049 0.0028 0.0080 ( 761 PWs) bands (ev): -50.1849 -50.1849 -24.4870 -24.4870 -23.6554 -23.6554 -23.6553 -23.6553 -2.0030 -2.0030 8.9699 8.9701 8.9729 8.9730 8.9738 8.9740 14.8911 14.8918 14.8921 14.8928 17.2191 17.2191 19.9363 19.9367 19.9368 19.9382 k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -50.1849 -50.1849 -24.4869 -24.4869 -23.6553 -23.6553 -23.6553 -23.6553 -2.0038 -2.0038 8.9704 8.9704 8.9734 8.9734 8.9734 8.9734 14.8925 14.8925 14.8925 14.8925 17.2160 17.2160 19.9378 19.9378 19.9378 19.9378 k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -50.1849 -50.1849 -24.4869 -24.4869 -23.6553 -23.6553 -23.6553 -23.6553 -2.0038 -2.0038 8.9704 8.9704 8.9734 8.9734 8.9734 8.9734 14.8925 14.8925 14.8925 14.8925 17.2160 17.2160 19.9378 19.9378 19.9378 19.9378 k = 0.0079 0.0046 0.0032 ( 758 PWs) bands (ev): -50.1849 -50.1849 -24.4870 -24.4870 -23.6554 -23.6554 -23.6553 -23.6553 -2.0030 -2.0030 8.9700 8.9700 8.9730 8.9730 8.9738 8.9740 14.8914 14.8920 14.8920 14.8926 17.2191 17.2191 19.9364 19.9364 19.9368 19.9383 k = 0.0159 0.0092 0.0065 ( 773 PWs) bands (ev): -50.1849 -50.1849 -24.4872 -24.4872 -23.6559 -23.6559 -23.6554 -23.6554 -2.0005 -2.0005 8.9671 8.9671 8.9736 8.9736 8.9750 8.9755 14.8894 14.8905 14.8905 14.8917 17.2281 17.2281 19.9320 19.9320 19.9353 19.9381 k = 0.0238 0.0137 0.0097 ( 779 PWs) bands (ev): -50.1848 -50.1848 -24.4876 -24.4876 -23.6566 -23.6566 -23.6555 -23.6555 -1.9964 -1.9964 8.9611 8.9611 8.9757 8.9757 8.9772 8.9779 14.8868 14.8884 14.8884 14.8902 17.2430 17.2430 19.9239 19.9239 19.9331 19.9374 k = 0.0317 0.0183 0.0130 ( 779 PWs) bands (ev): -50.1846 -50.1846 -24.4882 -24.4882 -23.6576 -23.6576 -23.6557 -23.6557 -1.9906 -1.9906 8.9527 8.9527 8.9788 8.9788 8.9803 8.9812 14.8833 14.8854 14.8854 14.8878 17.2638 17.2638 19.9119 19.9119 19.9304 19.9361 k = 0.0397 0.0229 0.0162 ( 779 PWs) bands (ev): -50.1844 -50.1844 -24.4889 -24.4889 -23.6590 -23.6590 -23.6560 -23.6560 -1.9832 -1.9832 8.9419 8.9419 8.9829 8.9829 8.9843 8.9855 14.8790 14.8816 14.8816 14.8847 17.2903 17.2903 19.8960 19.8960 19.9270 19.9342 k = 0.0476 0.0275 0.0194 ( 785 PWs) bands (ev): -50.1842 -50.1842 -24.4898 -24.4898 -23.6606 -23.6606 -23.6563 -23.6563 -1.9742 -1.9742 8.9289 8.9289 8.9879 8.9879 8.9893 8.9906 14.8740 14.8770 14.8770 14.8808 17.3222 17.3222 19.8764 19.8764 19.9231 19.9316 k = 0.0556 0.0321 0.0227 ( 785 PWs) bands (ev): -50.1839 -50.1839 -24.4909 -24.4909 -23.6625 -23.6625 -23.6566 -23.6566 -1.9636 -1.9636 8.9139 8.9139 8.9938 8.9938 8.9951 8.9966 14.8683 14.8717 14.8717 14.8762 17.3594 17.3594 19.8535 19.8535 19.9184 19.9283 k = 0.0635 0.0367 0.0259 ( 791 PWs) bands (ev): -50.1836 -50.1836 -24.4921 -24.4921 -23.6646 -23.6646 -23.6570 -23.6570 -1.9514 -1.9514 8.8968 8.8968 9.0006 9.0006 9.0017 9.0035 14.8620 14.8658 14.8658 14.8710 17.4015 17.4015 19.8275 19.8275 19.9130 19.9242 k = 0.0714 0.0412 0.0292 ( 791 PWs) bands (ev): -50.1832 -50.1832 -24.4934 -24.4934 -23.6671 -23.6671 -23.6575 -23.6575 -1.9377 -1.9377 8.8780 8.8780 9.0081 9.0081 9.0092 9.0112 14.8552 14.8594 14.8594 14.8653 17.4482 17.4482 19.7987 19.7987 19.9068 19.9193 k = 0.0794 0.0458 0.0324 ( 791 PWs) bands (ev): -50.1827 -50.1827 -24.4949 -24.4949 -23.6697 -23.6697 -23.6580 -23.6580 -1.9226 -1.9226 8.8574 8.8574 9.0165 9.0165 9.0175 9.0197 14.8480 14.8524 14.8524 14.8590 17.4990 17.4990 19.7675 19.7675 19.8998 19.9136 k = 0.0873 0.0504 0.0356 ( 791 PWs) bands (ev): -50.1822 -50.1822 -24.4966 -24.4966 -23.6727 -23.6727 -23.6586 -23.6586 -1.9059 -1.9059 8.8354 8.8354 9.0256 9.0256 9.0265 9.0290 14.8403 14.8451 14.8451 14.8524 17.5533 17.5533 19.7344 19.7344 19.8919 19.9069 k = 0.0952 0.0550 0.0389 ( 797 PWs) bands (ev): -50.1817 -50.1817 -24.4984 -24.4984 -23.6759 -23.6759 -23.6592 -23.6592 -1.8879 -1.8879 8.8120 8.8120 9.0355 9.0355 9.0363 9.0389 14.8324 14.8374 14.8374 14.8455 17.6107 17.6107 19.6998 19.6998 19.8830 19.8993 k = 0.1032 0.0596 0.0421 ( 803 PWs) bands (ev): -50.1812 -50.1812 -24.5003 -24.5003 -23.6793 -23.6793 -23.6599 -23.6599 -1.8684 -1.8684 8.7874 8.7874 9.0461 9.0461 9.0468 9.0496 14.8242 14.8294 14.8294 14.8383 17.6703 17.6703 19.6644 19.6644 19.8731 19.8905 k = 0.1111 0.0642 0.0454 ( 803 PWs) bands (ev): -50.1806 -50.1806 -24.5024 -24.5024 -23.6829 -23.6829 -23.6606 -23.6606 -1.8477 -1.8477 8.7619 8.7619 9.0573 9.0573 9.0579 9.0610 14.8160 14.8214 14.8214 14.8310 17.7312 17.7312 19.6290 19.6290 19.8622 19.8807 k = 0.1190 0.0687 0.0486 ( 797 PWs) bands (ev): -50.1800 -50.1800 -24.5047 -24.5047 -23.6868 -23.6868 -23.6613 -23.6613 -1.8256 -1.8256 8.7355 8.7355 9.0692 9.0692 9.0697 9.0730 14.8078 14.8134 14.8134 14.8237 17.7924 17.7924 19.5946 19.5946 19.8501 19.8697 k = 0.1270 0.0733 0.0518 ( 797 PWs) bands (ev): -50.1793 -50.1793 -24.5070 -24.5070 -23.6908 -23.6908 -23.6621 -23.6621 -1.8024 -1.8024 8.7085 8.7085 9.0817 9.0817 9.0821 9.0856 14.7997 14.8054 14.8054 14.8165 17.8524 17.8524 19.5624 19.5624 19.8368 19.8574 k = 0.1349 0.0779 0.0551 ( 797 PWs) bands (ev): -50.1786 -50.1786 -24.5095 -24.5095 -23.6950 -23.6950 -23.6630 -23.6630 -1.7779 -1.7779 8.6810 8.6810 9.0947 9.0947 9.0950 9.0987 14.7918 14.7976 14.7976 14.8094 17.9097 17.9097 19.5340 19.5340 19.8222 19.8439 k = 0.1429 0.0825 0.0583 ( 797 PWs) bands (ev): -50.1779 -50.1779 -24.5122 -24.5122 -23.6994 -23.6994 -23.6638 -23.6638 -1.7524 -1.7524 8.6533 8.6533 9.1082 9.1082 9.1084 9.1123 14.7842 14.7901 14.7901 14.8026 17.9624 17.9624 19.5110 19.5110 19.8063 19.8289 k = 0.1508 0.0871 0.0616 ( 797 PWs) bands (ev): -50.1771 -50.1771 -24.5149 -24.5149 -23.7040 -23.7040 -23.6647 -23.6647 -1.7259 -1.7259 8.6254 8.6254 9.1221 9.1221 9.1223 9.1263 14.7771 14.7829 14.7829 14.7963 18.0083 18.0083 19.4956 19.4956 19.7891 19.8126 k = 0.1587 0.0916 0.0648 ( 797 PWs) bands (ev): -50.1763 -50.1763 -24.5178 -24.5178 -23.7087 -23.7087 -23.6657 -23.6657 -1.6983 -1.6983 8.5976 8.5976 9.1364 9.1364 9.1365 9.1407 14.7705 14.7763 14.7763 14.7904 18.0451 18.0451 19.4900 19.4900 19.7704 19.7947 k = 0.1667 0.0962 0.0680 ( 800 PWs) bands (ev): -50.1755 -50.1755 -24.5207 -24.5207 -23.7135 -23.7135 -23.6666 -23.6666 -1.6699 -1.6699 8.5700 8.5700 9.1511 9.1511 9.1511 9.1555 14.7645 14.7703 14.7703 14.7852 18.0706 18.0706 19.4961 19.4961 19.7502 19.7753 k = 0.1746 0.1008 0.0713 ( 800 PWs) bands (ev): -50.1747 -50.1747 -24.5238 -24.5238 -23.7184 -23.7184 -23.6676 -23.6676 -1.6406 -1.6406 8.5428 8.5428 9.1660 9.1660 9.1660 9.1705 14.7592 14.7650 14.7650 14.7806 18.0832 18.0832 19.5157 19.5157 19.7285 19.7544 k = 0.1825 0.1054 0.0745 ( 800 PWs) bands (ev): -50.1738 -50.1738 -24.5270 -24.5270 -23.7235 -23.7235 -23.6687 -23.6687 -1.6106 -1.6106 8.5161 8.5161 9.1811 9.1812 9.1812 9.1858 14.7549 14.7605 14.7605 14.7769 18.0818 18.0818 19.5495 19.5495 19.7052 19.7318 k = 0.1905 0.1100 0.0778 ( 800 PWs) bands (ev): -50.1729 -50.1729 -24.5303 -24.5303 -23.7286 -23.7286 -23.6697 -23.6697 -1.5800 -1.5800 8.4900 8.4900 9.1964 9.1965 9.1965 9.2012 14.7514 14.7569 14.7569 14.7740 18.0664 18.0664 19.5973 19.5973 19.6804 19.7074 k = 0.1984 0.1146 0.0810 ( 800 PWs) bands (ev): -50.1720 -50.1720 -24.5336 -24.5336 -23.7338 -23.7338 -23.6708 -23.6708 -1.5487 -1.5487 8.4648 8.4648 9.2118 9.2120 9.2120 9.2168 14.7490 14.7543 14.7543 14.7722 18.0379 18.0379 19.6539 19.6573 19.6573 19.6817 k = 0.2063 0.1191 0.0842 ( 800 PWs) bands (ev): -50.1711 -50.1711 -24.5370 -24.5370 -23.7391 -23.7391 -23.6719 -23.6719 -1.5169 -1.5169 8.4404 8.4404 9.2273 9.2276 9.2276 9.2324 14.7477 14.7528 14.7528 14.7715 17.9975 17.9975 19.6259 19.6524 19.6524 19.6542 k = 0.2143 0.1237 0.0875 ( 800 PWs) bands (ev): -50.1702 -50.1702 -24.5405 -24.5405 -23.7444 -23.7444 -23.6730 -23.6730 -1.4847 -1.4847 8.4171 8.4171 9.2428 9.2432 9.2432 9.2480 14.7476 14.7525 14.7525 14.7719 17.9469 17.9469 19.5962 19.6232 19.6232 19.6250 k = 0.2222 0.1283 0.0907 ( 800 PWs) bands (ev): -50.1692 -50.1692 -24.5441 -24.5441 -23.7497 -23.7497 -23.6741 -23.6741 -1.4521 -1.4521 8.3949 8.3949 9.2583 9.2587 9.2587 9.2636 14.7488 14.7534 14.7534 14.7735 17.8876 17.8876 19.5649 19.5921 19.5921 19.5942 k = 0.2302 0.1329 0.0940 ( 800 PWs) bands (ev): -50.1683 -50.1683 -24.5477 -24.5477 -23.7550 -23.7550 -23.6752 -23.6752 -1.4193 -1.4193 8.3739 8.3739 9.2737 9.2741 9.2741 9.2790 14.7514 14.7556 14.7556 14.7765 17.8211 17.8211 19.5320 19.5593 19.5593 19.5616 k = 0.2381 0.1375 0.0972 ( 800 PWs) bands (ev): -50.1673 -50.1673 -24.5514 -24.5514 -23.7604 -23.7604 -23.6763 -23.6763 -1.3863 -1.3863 8.3542 8.3542 9.2890 9.2895 9.2895 9.2944 14.7553 14.7592 14.7592 14.7808 17.7486 17.7486 19.4975 19.5249 19.5249 19.5275 k = 0.2460 0.1420 0.1004 ( 797 PWs) bands (ev): -50.1663 -50.1663 -24.5551 -24.5551 -23.7657 -23.7657 -23.6774 -23.6774 -1.3532 -1.3532 8.3359 8.3359 9.3040 9.3046 9.3046 9.3095 14.7607 14.7642 14.7642 14.7865 17.6713 17.6713 19.4615 19.4889 19.4889 19.4917 k = 0.2540 0.1466 0.1037 ( 797 PWs) bands (ev): -50.1654 -50.1654 -24.5588 -24.5588 -23.7710 -23.7710 -23.6786 -23.6786 -1.3201 -1.3201 8.3190 8.3190 9.3189 9.3195 9.3195 9.3244 14.7676 14.7707 14.7707 14.7937 17.5901 17.5901 19.4240 19.4514 19.4514 19.4544 k = 0.2619 0.1512 0.1069 ( 796 PWs) bands (ev): -50.1644 -50.1644 -24.5626 -24.5626 -23.7762 -23.7762 -23.6797 -23.6797 -1.2870 -1.2870 8.3035 8.3035 9.3335 9.3341 9.3341 9.3390 14.7760 14.7786 14.7786 14.8023 17.5057 17.5057 19.3851 19.4124 19.4124 19.4156 k = 0.2698 0.1558 0.1102 ( 796 PWs) bands (ev): -50.1635 -50.1635 -24.5664 -24.5664 -23.7814 -23.7814 -23.6808 -23.6808 -1.2542 -1.2542 8.2896 8.2896 9.3478 9.3484 9.3484 9.3533 14.7859 14.7880 14.7880 14.8125 17.4188 17.4188 19.3447 19.3721 19.3721 19.3754 k = 0.2778 0.1604 0.1134 ( 796 PWs) bands (ev): -50.1625 -50.1625 -24.5701 -24.5701 -23.7866 -23.7866 -23.6820 -23.6820 -1.2216 -1.2216 8.2772 8.2772 9.3617 9.3624 9.3624 9.3673 14.7974 14.7990 14.7990 14.8241 17.3300 17.3300 19.3031 19.3304 19.3304 19.3338 k = 0.2857 0.1650 0.1166 ( 796 PWs) bands (ev): -50.1616 -50.1616 -24.5739 -24.5739 -23.7916 -23.7916 -23.6831 -23.6831 -1.1893 -1.1893 8.2664 8.2664 9.3752 9.3760 9.3760 9.3808 14.8105 14.8115 14.8115 14.8373 17.2398 17.2398 19.2602 19.2874 19.2874 19.2909 k = 0.2937 0.1695 0.1199 ( 790 PWs) bands (ev): -50.1606 -50.1606 -24.5776 -24.5776 -23.7966 -23.7966 -23.6842 -23.6842 -1.1574 -1.1574 8.2572 8.2572 9.3884 9.3892 9.3892 9.3939 14.8251 14.8255 14.8255 14.8519 17.1487 17.1487 19.2162 19.2433 19.2433 19.2468 k = 0.3016 0.1741 0.1231 ( 790 PWs) bands (ev): -50.1597 -50.1597 -24.5813 -24.5813 -23.8014 -23.8014 -23.6852 -23.6852 -1.1260 -1.1260 8.2494 8.2494 9.4011 9.4019 9.4019 9.4065 14.8409 14.8409 14.8412 14.8680 17.0571 17.0571 19.1712 19.1982 19.1982 19.2017 k = 0.3095 0.1787 0.1264 ( 790 PWs) bands (ev): -50.1588 -50.1588 -24.5850 -24.5850 -23.8062 -23.8062 -23.6863 -23.6863 -1.0953 -1.0953 8.2432 8.2432 9.4133 9.4141 9.4141 9.4187 14.8578 14.8578 14.8588 14.8855 16.9654 16.9654 19.1253 19.1522 19.1522 19.1556 k = 0.3175 0.1833 0.1296 ( 784 PWs) bands (ev): -50.1579 -50.1579 -24.5886 -24.5886 -23.8108 -23.8108 -23.6873 -23.6873 -1.0651 -1.0651 8.2385 8.2385 9.4251 9.4259 9.4259 9.4304 14.8760 14.8760 14.8777 14.9043 16.8739 16.8739 19.0787 19.1055 19.1055 19.1088 k = 0.3254 0.1879 0.1328 ( 784 PWs) bands (ev): -50.1570 -50.1570 -24.5922 -24.5922 -23.8153 -23.8153 -23.6884 -23.6884 -1.0357 -1.0357 8.2352 8.2352 9.4363 9.4371 9.4371 9.4415 14.8955 14.8955 14.8980 14.9244 16.7831 16.7831 19.0315 19.0581 19.0581 19.0612 k = 0.3333 0.1925 0.1361 ( 787 PWs) bands (ev): -50.1562 -50.1562 -24.5957 -24.5957 -23.8197 -23.8197 -23.6893 -23.6893 -1.0071 -1.0071 8.2333 8.2333 9.4470 9.4478 9.4478 9.4521 14.9161 14.9161 14.9194 14.9456 16.6933 16.6933 18.9839 19.0103 19.0103 19.0132 k = 0.3413 0.1970 0.1393 ( 781 PWs) bands (ev): -50.1553 -50.1553 -24.5991 -24.5991 -23.8239 -23.8239 -23.6903 -23.6903 -0.9794 -0.9794 8.2326 8.2326 9.4572 9.4580 9.4580 9.4622 14.9378 14.9378 14.9421 14.9679 16.6048 16.6048 18.9360 18.9622 18.9622 18.9648 k = 0.3492 0.2016 0.1426 ( 784 PWs) bands (ev): -50.1545 -50.1545 -24.6024 -24.6024 -23.8279 -23.8279 -23.6912 -23.6912 -0.9526 -0.9526 8.2332 8.2332 9.4668 9.4676 9.4676 9.4717 14.9605 14.9605 14.9657 14.9911 16.5180 16.5180 18.8880 18.9140 18.9140 18.9163 k = 0.3571 0.2062 0.1458 ( 784 PWs) bands (ev): -50.1538 -50.1538 -24.6056 -24.6056 -23.8318 -23.8318 -23.6921 -23.6921 -0.9269 -0.9269 8.2349 8.2349 9.4760 9.4767 9.4767 9.4806 14.9840 14.9840 14.9902 15.0152 16.4332 16.4332 18.8401 18.8659 18.8659 18.8678 k = 0.3651 0.2108 0.1490 ( 784 PWs) bands (ev): -50.1530 -50.1530 -24.6087 -24.6087 -23.8355 -23.8355 -23.6930 -23.6930 -0.9021 -0.9021 8.2377 8.2377 9.4845 9.4852 9.4852 9.4890 15.0082 15.0082 15.0154 15.0398 16.3507 16.3507 18.7926 18.8182 18.8182 18.8196 k = 0.3730 0.2154 0.1523 ( 784 PWs) bands (ev): -50.1523 -50.1523 -24.6117 -24.6117 -23.8390 -23.8390 -23.6938 -23.6938 -0.8785 -0.8785 8.2413 8.2413 9.4926 9.4932 9.4932 9.4968 15.0329 15.0329 15.0412 15.0649 16.2709 16.2709 18.7457 18.7710 18.7710 18.7719 k = 0.3810 0.2199 0.1555 ( 784 PWs) bands (ev): -50.1517 -50.1517 -24.6146 -24.6146 -23.8424 -23.8424 -23.6946 -23.6946 -0.8561 -0.8561 8.2457 8.2457 9.5001 9.5007 9.5007 9.5041 15.0578 15.0578 15.0673 15.0903 16.1940 16.1940 18.6996 18.7246 18.7246 18.7249 k = 0.3889 0.2245 0.1588 ( 784 PWs) bands (ev): -50.1510 -50.1510 -24.6173 -24.6173 -23.8455 -23.8455 -23.6954 -23.6954 -0.8349 -0.8349 8.2507 8.2507 9.5070 9.5076 9.5076 9.5109 15.0829 15.0829 15.0935 15.1157 16.1203 16.1203 18.6546 18.6789 18.6793 18.6793 k = 0.3968 0.2291 0.1620 ( 790 PWs) bands (ev): -50.1504 -50.1504 -24.6199 -24.6199 -23.8485 -23.8485 -23.6961 -23.6961 -0.8150 -0.8150 8.2563 8.2563 9.5134 9.5139 9.5139 9.5171 15.1077 15.1077 15.1196 15.1408 16.0503 16.0503 18.6110 18.6342 18.6353 18.6353 k = 0.4048 0.2337 0.1652 ( 790 PWs) bands (ev): -50.1499 -50.1499 -24.6223 -24.6223 -23.8512 -23.8512 -23.6967 -23.6967 -0.7963 -0.7963 8.2622 8.2622 9.5194 9.5198 9.5198 9.5228 15.1323 15.1323 15.1454 15.1656 15.9841 15.9841 18.5690 18.5910 18.5929 18.5929 k = 0.4127 0.2383 0.1685 ( 790 PWs) bands (ev): -50.1494 -50.1494 -24.6245 -24.6245 -23.8538 -23.8538 -23.6973 -23.6973 -0.7791 -0.7791 8.2683 8.2683 9.5248 9.5251 9.5251 9.5279 15.1562 15.1562 15.1707 15.1898 15.9220 15.9220 18.5289 18.5496 18.5524 18.5524 k = 0.4206 0.2429 0.1717 ( 790 PWs) bands (ev): -50.1489 -50.1489 -24.6266 -24.6266 -23.8561 -23.8561 -23.6979 -23.6979 -0.7632 -0.7632 8.2745 8.2745 9.5297 9.5299 9.5299 9.5326 15.1792 15.1792 15.1951 15.2129 15.8643 15.8643 18.4911 18.5104 18.5141 18.5141 k = 0.4286 0.2474 0.1750 ( 799 PWs) bands (ev): -50.1485 -50.1485 -24.6285 -24.6285 -23.8583 -23.8583 -23.6984 -23.6984 -0.7487 -0.7487 8.2807 8.2807 9.5341 9.5342 9.5342 9.5367 15.2010 15.2010 15.2184 15.2349 15.8113 15.8113 18.4557 18.4735 18.4782 18.4782 k = 0.4365 0.2520 0.1782 ( 793 PWs) bands (ev): -50.1480 -50.1480 -24.6302 -24.6302 -23.8602 -23.8602 -23.6989 -23.6989 -0.7357 -0.7357 8.2866 8.2866 9.5380 9.5381 9.5381 9.5404 15.2214 15.2214 15.2404 15.2554 15.7632 15.7632 18.4233 18.4394 18.4452 18.4452 k = 0.4444 0.2566 0.1814 ( 793 PWs) bands (ev): -50.1477 -50.1477 -24.6318 -24.6318 -23.8619 -23.8619 -23.6993 -23.6993 -0.7241 -0.7241 8.2922 8.2922 9.5414 9.5414 9.5415 9.5435 15.2401 15.2401 15.2607 15.2741 15.7203 15.7203 18.3939 18.4083 18.4152 18.4152 k = 0.4524 0.2612 0.1847 ( 793 PWs) bands (ev): -50.1474 -50.1474 -24.6331 -24.6331 -23.8634 -23.8634 -23.6996 -23.6996 -0.7141 -0.7141 8.2973 8.2973 9.5443 9.5443 9.5445 9.5463 15.2569 15.2569 15.2791 15.2908 15.6828 15.6828 18.3679 18.3805 18.3885 18.3885 k = 0.4603 0.2658 0.1879 ( 793 PWs) bands (ev): -50.1471 -50.1471 -24.6343 -24.6343 -23.8646 -23.8646 -23.7000 -23.7000 -0.7055 -0.7055 8.3019 8.3019 9.5467 9.5467 9.5470 9.5485 15.2715 15.2715 15.2953 15.3052 15.6507 15.6507 18.3457 18.3563 18.3654 18.3654 k = 0.4683 0.2703 0.1912 ( 793 PWs) bands (ev): -50.1469 -50.1469 -24.6352 -24.6352 -23.8656 -23.8656 -23.7002 -23.7002 -0.6985 -0.6985 8.3057 8.3057 9.5487 9.5487 9.5491 9.5503 15.2837 15.2837 15.3091 15.3172 15.6244 15.6244 18.3273 18.3359 18.3462 18.3462 k = 0.4762 0.2749 0.1944 ( 793 PWs) bands (ev): -50.1467 -50.1467 -24.6359 -24.6359 -23.8664 -23.8664 -23.7004 -23.7004 -0.6931 -0.6931 8.3088 8.3088 9.5502 9.5502 9.5508 9.5517 15.2933 15.2933 15.3203 15.3264 15.6038 15.6038 18.3130 18.3196 18.3310 18.3310 k = 0.4841 0.2795 0.1976 ( 793 PWs) bands (ev): -50.1466 -50.1466 -24.6365 -24.6365 -23.8670 -23.8670 -23.7005 -23.7005 -0.6892 -0.6892 8.3111 8.3111 9.5513 9.5513 9.5520 9.5526 15.3002 15.3002 15.3288 15.3329 15.5891 15.5891 18.3030 18.3074 18.3201 18.3201 k = 0.4921 0.2841 0.2009 ( 793 PWs) bands (ev): -50.1466 -50.1466 -24.6368 -24.6368 -23.8673 -23.8673 -23.7006 -23.7006 -0.6868 -0.6868 8.3125 8.3125 9.5520 9.5520 9.5528 9.5531 15.3044 15.3044 15.3343 15.3363 15.5803 15.5803 18.2974 18.2996 18.3134 18.3134 k = 0.5000 0.2887 0.2041 ( 796 PWs) bands (ev): -50.1465 -50.1465 -24.6369 -24.6369 -23.8675 -23.8675 -23.7007 -23.7007 -0.6860 -0.6860 8.3129 8.3129 9.5522 9.5522 9.5532 9.5532 15.3058 15.3058 15.3368 15.3368 15.5773 15.5773 18.2963 18.2963 18.3112 18.3112 k = 0.5000 0.2887 0.2041 ( 796 PWs) bands (ev): -50.1465 -50.1465 -24.6369 -24.6369 -23.8675 -23.8675 -23.7007 -23.7007 -0.6860 -0.6860 8.3129 8.3129 9.5522 9.5522 9.5532 9.5532 15.3058 15.3058 15.3368 15.3368 15.5773 15.5773 18.2963 18.2963 18.3112 18.3112 k = 0.5028 0.2807 0.2087 ( 792 PWs) bands (ev): -50.1465 -50.1465 -24.6378 -24.6360 -23.8685 -23.8665 -23.7007 -23.7007 -0.6862 -0.6851 8.3131 8.3141 9.5517 9.5519 9.5535 9.5537 15.3027 15.3072 15.3361 15.3361 15.5740 15.5789 18.2957 18.2958 18.3104 18.3113 k = 0.5056 0.2726 0.2132 ( 790 PWs) bands (ev): -50.1465 -50.1465 -24.6387 -24.6352 -23.8695 -23.8656 -23.7010 -23.7010 -0.6857 -0.6833 8.3147 8.3166 9.5496 9.5501 9.5555 9.5558 15.2976 15.3070 15.3337 15.3341 15.5692 15.5789 18.2937 18.2942 18.3090 18.3103 k = 0.5083 0.2646 0.2177 ( 789 PWs) bands (ev): -50.1464 -50.1464 -24.6396 -24.6344 -23.8705 -23.8647 -23.7015 -23.7015 -0.6844 -0.6809 8.3176 8.3205 9.5461 9.5469 9.5589 9.5594 15.2902 15.3052 15.3293 15.3309 15.5633 15.5777 18.2899 18.2916 18.3074 18.3084 k = 0.5111 0.2566 0.2223 ( 787 PWs) bands (ev): -50.1463 -50.1463 -24.6406 -24.6336 -23.8716 -23.8638 -23.7022 -23.7022 -0.6824 -0.6777 8.3218 8.3257 9.5413 9.5423 9.5638 9.5644 15.2799 15.3015 15.3226 15.3266 15.5568 15.5756 18.2841 18.2878 18.3057 18.3058 k = 0.5139 0.2486 0.2268 ( 787 PWs) bands (ev): -50.1462 -50.1462 -24.6415 -24.6328 -23.8727 -23.8629 -23.7031 -23.7030 -0.6796 -0.6737 8.3273 8.3321 9.5353 9.5365 9.5700 9.5708 15.2663 15.2950 15.3138 15.3214 15.5505 15.5733 18.2765 18.2825 18.3026 18.3040 k = 0.5167 0.2406 0.2313 ( 787 PWs) bands (ev): -50.1461 -50.1461 -24.6425 -24.6321 -23.8739 -23.8621 -23.7041 -23.7040 -0.6762 -0.6691 8.3341 8.3398 9.5281 9.5296 9.5777 9.5785 15.2487 15.2836 15.3044 15.3153 15.5452 15.5713 18.2671 18.2756 18.2991 18.3022 k = 0.5194 0.2325 0.2359 ( 787 PWs) bands (ev): -50.1459 -50.1459 -24.6435 -24.6314 -23.8750 -23.8613 -23.7054 -23.7052 -0.6720 -0.6638 8.3420 8.3486 9.5200 9.5217 9.5866 9.5877 15.2265 15.2653 15.2958 15.3085 15.5417 15.5703 18.2561 18.2670 18.2954 18.2999 k = 0.5222 0.2245 0.2404 ( 789 PWs) bands (ev): -50.1458 -50.1458 -24.6446 -24.6307 -23.8762 -23.8605 -23.7068 -23.7065 -0.6671 -0.6578 8.3509 8.3585 9.5110 9.5130 9.5970 9.5981 15.1995 15.2399 15.2877 15.3010 15.5406 15.5706 18.2436 18.2566 18.2913 18.2973 k = 0.5250 0.2165 0.2449 ( 791 PWs) bands (ev): -50.1456 -50.1456 -24.6456 -24.6301 -23.8774 -23.8598 -23.7084 -23.7080 -0.6616 -0.6511 8.3609 8.3693 9.5013 9.5036 9.6086 9.6099 15.1674 15.2083 15.2794 15.2930 15.5419 15.5724 18.2296 18.2447 18.2869 18.2943 k = 0.5278 0.2085 0.2495 ( 790 PWs) bands (ev): -50.1454 -50.1454 -24.6467 -24.6295 -23.8787 -23.8591 -23.7102 -23.7097 -0.6554 -0.6438 8.3717 8.3809 9.4911 9.4938 9.6215 9.6230 15.1304 15.1709 15.2706 15.2844 15.5457 15.5761 18.2142 18.2312 18.2820 18.2906 k = 0.5306 0.2005 0.2540 ( 792 PWs) bands (ev): -50.1452 -50.1452 -24.6477 -24.6290 -23.8799 -23.8583 -23.7122 -23.7114 -0.6486 -0.6360 8.3831 8.3931 9.4807 9.4837 9.6356 9.6372 15.0885 15.1282 15.2613 15.2754 15.5518 15.5815 18.1974 18.2162 18.2766 18.2864 k = 0.5333 0.1925 0.2586 ( 790 PWs) bands (ev): -50.1449 -50.1449 -24.6488 -24.6285 -23.8812 -23.8577 -23.7143 -23.7133 -0.6412 -0.6275 8.3952 8.4059 9.4702 9.4736 9.6510 9.6527 15.0421 15.0808 15.2514 15.2659 15.5599 15.5885 18.1794 18.1999 18.2707 18.2815 k = 0.5361 0.1844 0.2631 ( 792 PWs) bands (ev): -50.1447 -50.1447 -24.6499 -24.6280 -23.8825 -23.8570 -23.7165 -23.7153 -0.6332 -0.6185 8.4075 8.4189 9.4601 9.4639 9.6674 9.6694 14.9914 15.0289 15.2411 15.2559 15.5698 15.5972 18.1600 18.1821 18.2640 18.2759 k = 0.5389 0.1764 0.2676 ( 790 PWs) bands (ev): -50.1444 -50.1444 -24.6510 -24.6276 -23.8839 -23.8563 -23.7189 -23.7174 -0.6248 -0.6090 8.4199 8.4319 9.4505 9.4548 9.6851 9.6872 14.9368 14.9730 15.2305 15.2457 15.5812 15.6074 18.1394 18.1630 18.2567 18.2696 k = 0.5417 0.1684 0.2722 ( 792 PWs) bands (ev): -50.1441 -50.1441 -24.6521 -24.6273 -23.8852 -23.8557 -23.7215 -23.7197 -0.6158 -0.5991 8.4322 8.4447 9.4419 9.4467 9.7038 9.7060 14.8786 14.9136 15.2195 15.2352 15.5941 15.6189 18.1175 18.1425 18.2485 18.2624 k = 0.5444 0.1604 0.2767 ( 792 PWs) bands (ev): -50.1438 -50.1438 -24.6533 -24.6269 -23.8865 -23.8551 -23.7241 -23.7220 -0.6063 -0.5887 8.4440 8.4570 9.4345 9.4400 9.7235 9.7259 14.8172 14.8509 15.2083 15.2245 15.6082 15.6317 18.0944 18.1208 18.2396 18.2543 k = 0.5472 0.1524 0.2812 ( 794 PWs) bands (ev): -50.1435 -50.1435 -24.6544 -24.6267 -23.8879 -23.8545 -23.7269 -23.7243 -0.5965 -0.5779 8.4551 8.4684 9.4289 9.4350 9.7442 9.7467 14.7528 14.7854 15.1970 15.2137 15.6234 15.6455 18.0701 18.0979 18.2298 18.2454 k = 0.5500 0.1443 0.2858 ( 794 PWs) bands (ev): -50.1431 -50.1431 -24.6555 -24.6265 -23.8892 -23.8539 -23.7298 -23.7267 -0.5863 -0.5668 8.4650 8.4785 9.4253 9.4323 9.7658 9.7685 14.6858 14.7173 15.1856 15.2029 15.6395 15.6603 18.0447 18.0737 18.2190 18.2354 k = 0.5528 0.1363 0.2903 ( 790 PWs) bands (ev): -50.1428 -50.1428 -24.6567 -24.6263 -23.8906 -23.8533 -23.7327 -23.7292 -0.5757 -0.5554 8.4736 8.4872 9.4242 9.4321 9.7883 9.7911 14.6166 14.6471 15.1744 15.1922 15.6565 15.6760 18.0182 18.0484 18.2073 18.2245 k = 0.5556 0.1283 0.2948 ( 790 PWs) bands (ev): -50.1424 -50.1424 -24.6578 -24.6262 -23.8920 -23.8528 -23.7358 -23.7317 -0.5649 -0.5437 8.4804 8.4939 9.4261 9.4349 9.8115 9.8145 14.5454 14.5749 15.1632 15.1816 15.6742 15.6924 17.9905 18.0219 18.1945 18.2124 k = 0.5583 0.1203 0.2994 ( 786 PWs) bands (ev): -50.1420 -50.1420 -24.6590 -24.6262 -23.8933 -23.8522 -23.7389 -23.7342 -0.5537 -0.5318 8.4851 8.4985 9.4311 9.4411 9.8355 9.8386 14.4725 14.5011 15.1524 15.1713 15.6926 15.7094 17.9618 17.9944 18.1807 18.1994 k = 0.5611 0.1123 0.3039 ( 786 PWs) bands (ev): -50.1417 -50.1417 -24.6602 -24.6262 -23.8947 -23.8517 -23.7421 -23.7368 -0.5424 -0.5197 8.4876 8.5007 9.4397 9.4509 9.8601 9.8633 14.3983 14.4261 15.1419 15.1613 15.7114 15.7270 17.9321 17.9659 18.1658 18.1851 k = 0.5639 0.1042 0.3085 ( 786 PWs) bands (ev): -50.1413 -50.1413 -24.6613 -24.6263 -23.8960 -23.8512 -23.7452 -23.7393 -0.5310 -0.5075 8.4876 8.5003 9.4519 9.4644 9.8852 9.8886 14.3231 14.3500 15.1318 15.1517 15.7307 15.7449 17.9015 17.9364 18.1498 18.1698 k = 0.5667 0.0962 0.3130 ( 786 PWs) bands (ev): -50.1409 -50.1409 -24.6625 -24.6264 -23.8974 -23.8507 -23.7485 -23.7418 -0.5194 -0.4953 8.4850 8.4973 9.4680 9.4818 9.9108 9.9143 14.2471 14.2733 15.1223 15.1427 15.7501 15.7630 17.8700 17.9060 18.1327 18.1533 k = 0.5694 0.0882 0.3175 ( 786 PWs) bands (ev): -50.1405 -50.1405 -24.6636 -24.6266 -23.8987 -23.8502 -23.7517 -23.7443 -0.5077 -0.4830 8.4799 8.4917 9.4879 9.5032 9.9369 9.9405 14.1706 14.1962 15.1134 15.1343 15.7698 15.7813 17.8378 17.8750 18.1145 18.1356 k = 0.5722 0.0802 0.3221 ( 788 PWs) bands (ev): -50.1402 -50.1402 -24.6647 -24.6268 -23.9000 -23.8498 -23.7549 -23.7468 -0.4960 -0.4707 8.4722 8.4835 9.5116 9.5283 9.9632 9.9669 14.0941 14.1190 15.1052 15.1266 15.7894 15.7996 17.8050 17.8432 18.0951 18.1168 k = 0.5750 0.0722 0.3266 ( 785 PWs) bands (ev): -50.1398 -50.1398 -24.6659 -24.6271 -23.9012 -23.8494 -23.7581 -23.7492 -0.4844 -0.4585 8.4622 8.4729 9.5390 9.5570 9.9898 9.9936 14.0177 14.0420 15.0978 15.1198 15.8088 15.8176 17.7717 17.8111 18.0746 18.0968 k = 0.5778 0.0642 0.3311 ( 787 PWs) bands (ev): -50.1394 -50.1394 -24.6670 -24.6274 -23.9024 -23.8490 -23.7612 -23.7516 -0.4728 -0.4464 8.4500 8.4601 9.5697 9.5891 10.0165 10.0205 13.9418 13.9656 15.0914 15.1138 15.8279 15.8353 17.7380 17.7786 18.0529 18.0756 k = 0.5806 0.0561 0.3357 ( 787 PWs) bands (ev): -50.1390 -50.1390 -24.6681 -24.6278 -23.9036 -23.8486 -23.7642 -23.7539 -0.4614 -0.4345 8.4358 8.4453 9.6035 9.6243 10.0432 10.0473 13.8667 13.8900 15.0859 15.1088 15.8465 15.8524 17.7042 17.7460 18.0301 18.0533 k = 0.5833 0.0481 0.3402 ( 787 PWs) bands (ev): -50.1387 -50.1387 -24.6691 -24.6283 -23.9048 -23.8483 -23.7672 -23.7561 -0.4501 -0.4228 8.4198 8.4288 9.6401 9.6623 10.0699 10.0742 13.7927 13.8156 15.0816 15.1048 15.8644 15.8687 17.6705 17.7135 18.0063 18.0299 k = 0.5861 0.0401 0.3447 ( 787 PWs) bands (ev): -50.1383 -50.1383 -24.6702 -24.6288 -23.9059 -23.8481 -23.7701 -23.7582 -0.4390 -0.4114 8.4023 8.4107 9.6791 9.7026 10.0964 10.1008 13.7201 13.7426 15.0783 15.1020 15.8814 15.8842 17.6371 17.6814 17.9814 18.0053 k = 0.5889 0.0321 0.3493 ( 791 PWs) bands (ev): -50.1380 -50.1380 -24.6712 -24.6293 -23.9069 -23.8479 -23.7728 -23.7602 -0.4282 -0.4003 8.3834 8.3914 9.7202 9.7449 10.1227 10.1272 13.6494 13.6715 15.0763 15.1004 15.8972 15.8984 17.6043 17.6498 17.9554 17.9798 k = 0.5917 0.0241 0.3538 ( 791 PWs) bands (ev): -50.1376 -50.1376 -24.6721 -24.6299 -23.9079 -23.8478 -23.7754 -23.7622 -0.4178 -0.3895 8.3635 8.3710 9.7630 9.7889 10.1487 10.1533 13.5807 13.6025 15.0756 15.1001 15.9112 15.9117 17.5725 17.6192 17.9285 17.9532 k = 0.5944 0.0160 0.3584 ( 789 PWs) bands (ev): -50.1373 -50.1373 -24.6731 -24.6305 -23.9089 -23.8478 -23.7779 -23.7640 -0.4076 -0.3792 8.3427 8.3497 9.8071 9.8342 10.1742 10.1789 13.5145 13.5361 15.0763 15.1011 15.9223 15.9245 17.5418 17.5898 17.9007 17.9257 k = 0.5972 0.0080 0.3629 ( 789 PWs) bands (ev): -50.1370 -50.1370 -24.6740 -24.6311 -23.9098 -23.8478 -23.7801 -23.7657 -0.3979 -0.3692 8.3211 8.3277 9.8521 9.8802 10.1992 10.2040 13.4512 13.4724 15.0784 15.1035 15.9316 15.9354 17.5127 17.5619 17.8720 17.8974 k = 0.6000-0.0000 0.3674 ( 787 PWs) bands (ev): -50.1367 -50.1367 -24.6748 -24.6318 -23.9106 -23.8480 -23.7822 -23.7673 -0.3886 -0.3598 8.2990 8.3052 9.8975 9.9267 10.2236 10.2284 13.3910 13.4120 15.0820 15.1074 15.9387 15.9442 17.4855 17.5360 17.8425 17.8682 k = 0.6028-0.0080 0.3720 ( 788 PWs) bands (ev): -50.1364 -50.1364 -24.6756 -24.6325 -23.9113 -23.8483 -23.7840 -23.7688 -0.3798 -0.3509 8.2764 8.2823 9.9430 9.9732 10.2472 10.2521 13.3344 13.3552 15.0871 15.1128 15.9434 15.9506 17.4606 17.5122 17.8124 17.8383 k = 0.6056-0.0160 0.3765 ( 790 PWs) bands (ev): -50.1361 -50.1361 -24.6764 -24.6332 -23.9120 -23.8486 -23.7856 -23.7701 -0.3716 -0.3426 8.2536 8.2591 9.9882 10.0192 10.2700 10.2750 13.2818 13.3023 15.0937 15.1196 15.9456 15.9543 17.4384 17.4910 17.7816 17.8078 k = 0.6083-0.0241 0.3810 ( 790 PWs) bands (ev): -50.1359 -50.1359 -24.6770 -24.6339 -23.9125 -23.8491 -23.7869 -23.7713 -0.3639 -0.3349 8.2306 8.2357 10.0325 10.0644 10.2918 10.2969 13.2334 13.2538 15.1018 15.1280 15.9451 15.9553 17.4191 17.4727 17.7503 17.7767 k = 0.6111-0.0321 0.3856 ( 786 PWs) bands (ev): -50.1357 -50.1357 -24.6776 -24.6346 -23.9130 -23.8497 -23.7880 -23.7724 -0.3568 -0.3279 8.2074 8.2123 10.0756 10.1082 10.3127 10.3178 13.1898 13.2099 15.1116 15.1380 15.9418 15.9535 17.4030 17.4575 17.7186 17.7453 k = 0.6139-0.0401 0.3901 ( 784 PWs) bands (ev): -50.1355 -50.1355 -24.6782 -24.6353 -23.9134 -23.8504 -23.7888 -23.7734 -0.3503 -0.3215 8.1843 8.1889 10.1170 10.1503 10.3325 10.3377 13.1512 13.1711 15.1229 15.1495 15.9357 15.9487 17.3904 17.4457 17.6866 17.7135 k = 0.6167-0.0481 0.3946 ( 790 PWs) bands (ev): -50.1353 -50.1353 -24.6786 -24.6360 -23.9137 -23.8512 -23.7894 -23.7742 -0.3445 -0.3159 8.1612 8.1655 10.1564 10.1902 10.3511 10.3563 13.1179 13.1375 15.1357 15.1624 15.9268 15.9410 17.3814 17.4373 17.6544 17.6815 k = 0.6194-0.0561 0.3992 ( 790 PWs) bands (ev): -50.1351 -50.1351 -24.6790 -24.6367 -23.9139 -23.8520 -23.7898 -23.7749 -0.3395 -0.3110 8.1382 8.1423 10.1932 10.2275 10.3684 10.3737 13.0903 13.1095 15.1501 15.1769 15.9154 15.9305 17.3761 17.4325 17.6222 17.6496 k = 0.6222-0.0642 0.4037 ( 786 PWs) bands (ev): -50.1350 -50.1350 -24.6793 -24.6373 -23.9139 -23.8529 -23.7899 -23.7754 -0.3352 -0.3070 8.1154 8.1192 10.2272 10.2618 10.3845 10.3899 13.0686 13.0873 15.1660 15.1929 15.9016 15.9176 17.3746 17.4312 17.5902 17.6178 k = 0.6250-0.0722 0.4082 ( 786 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8538 -23.7898 -23.7758 -0.3317 -0.3037 8.0927 8.0963 10.2580 10.2929 10.3991 10.4046 13.0528 13.0710 15.1833 15.2102 15.8858 15.9025 17.3766 17.4335 17.5585 17.5864 k = 0.6250-0.0722 0.4082 ( 786 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8538 -23.7898 -23.7758 -0.3317 -0.3037 8.0927 8.0963 10.2580 10.2929 10.3991 10.4046 13.0528 13.0710 15.1833 15.2102 15.8858 15.9025 17.3766 17.4335 17.5585 17.5864 k = 0.6202-0.0694 0.4161 ( 786 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8538 -23.7899 -23.7759 -0.3316 -0.3036 8.0935 8.0972 10.2515 10.2849 10.4042 10.4137 13.0525 13.0708 15.1812 15.2085 15.8860 15.9029 17.3686 17.4250 17.5656 17.5970 k = 0.6154-0.0666 0.4240 ( 790 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8537 -23.7901 -23.7761 -0.3313 -0.3033 8.0960 8.0996 10.2347 10.2653 10.4193 10.4339 13.0518 13.0699 15.1752 15.2032 15.8866 15.9041 17.3484 17.4033 17.5858 17.6223 k = 0.6106-0.0638 0.4318 ( 790 PWs) bands (ev): -50.1349 -50.1349 -24.6796 -24.6378 -23.9138 -23.8535 -23.7905 -23.7763 -0.3309 -0.3028 8.1000 8.1036 10.2122 10.2400 10.4405 10.4587 13.0507 13.0686 15.1653 15.1946 15.8876 15.9059 17.3219 17.3752 17.6142 17.6545 k = 0.6058-0.0611 0.4397 ( 790 PWs) bands (ev): -50.1348 -50.1348 -24.6797 -24.6378 -23.9137 -23.8532 -23.7909 -23.7767 -0.3303 -0.3020 8.1056 8.1092 10.1868 10.2123 10.4645 10.4853 13.0490 13.0667 15.1518 15.1827 15.8891 15.9084 17.2929 17.3446 17.6469 17.6897 k = 0.6010-0.0583 0.4475 ( 790 PWs) bands (ev): -50.1348 -50.1348 -24.6798 -24.6377 -23.9136 -23.8529 -23.7915 -23.7772 -0.3295 -0.3011 8.1127 8.1164 10.1601 10.1836 10.4897 10.5124 13.0469 13.0642 15.1350 15.1675 15.8912 15.9115 17.2633 17.3136 17.6815 17.7259 k = 0.5962-0.0555 0.4554 ( 790 PWs) bands (ev): -50.1348 -50.1348 -24.6799 -24.6376 -23.9135 -23.8524 -23.7923 -23.7777 -0.3285 -0.3000 8.1213 8.1249 10.1327 10.1546 10.5152 10.5395 13.0443 13.0612 15.1151 15.1493 15.8940 15.9151 17.2341 17.2829 17.7168 17.7623 k = 0.5913-0.0527 0.4632 ( 782 PWs) bands (ev): -50.1347 -50.1347 -24.6801 -24.6375 -23.9133 -23.8519 -23.7931 -23.7784 -0.3274 -0.2987 8.1312 8.1348 10.1053 10.1256 10.5405 10.5661 13.0412 13.0576 15.0926 15.1285 15.8974 15.9191 17.2059 17.2534 17.7519 17.7984 k = 0.5865-0.0500 0.4711 ( 780 PWs) bands (ev): -50.1347 -50.1347 -24.6802 -24.6374 -23.9131 -23.8514 -23.7941 -23.7792 -0.3262 -0.2972 8.1423 8.1460 10.0782 10.0970 10.5654 10.5921 13.0376 13.0535 15.0678 15.1052 15.9014 15.9234 17.1790 17.2251 17.7862 17.8335 k = 0.5817-0.0472 0.4789 ( 780 PWs) bands (ev): -50.1346 -50.1346 -24.6804 -24.6372 -23.9130 -23.8507 -23.7951 -23.7800 -0.3248 -0.2956 8.1546 8.1582 10.0515 10.0689 10.5896 10.6172 13.0335 13.0487 15.0411 15.0800 15.9060 15.9281 17.1536 17.1982 17.8195 17.8674 k = 0.5769-0.0444 0.4868 ( 780 PWs) bands (ev): -50.1346 -50.1346 -24.6806 -24.6371 -23.9128 -23.8500 -23.7962 -23.7809 -0.3233 -0.2939 8.1679 8.1715 10.0254 10.0416 10.6129 10.6414 13.0288 13.0434 15.0131 15.0532 15.9111 15.9329 17.1299 17.1730 17.8514 17.8998 k = 0.5721-0.0416 0.4946 ( 780 PWs) bands (ev): -50.1345 -50.1345 -24.6809 -24.6370 -23.9126 -23.8493 -23.7974 -23.7818 -0.3217 -0.2920 8.1820 8.1855 10.0002 10.0152 10.6352 10.6644 13.0236 13.0375 14.9842 15.0254 15.9167 15.9380 17.1080 17.1495 17.8816 17.9304 k = 0.5673-0.0389 0.5025 ( 777 PWs) bands (ev): -50.1344 -50.1344 -24.6811 -24.6368 -23.9124 -23.8484 -23.7987 -23.7828 -0.3201 -0.2901 8.1967 8.2002 9.9760 9.9899 10.6565 10.6862 13.0179 13.0310 14.9548 14.9971 15.9225 15.9431 17.0877 17.1276 17.9100 17.9592 k = 0.5625-0.0361 0.5103 ( 777 PWs) bands (ev): -50.1344 -50.1344 -24.6813 -24.6367 -23.9122 -23.8475 -23.8000 -23.7839 -0.3184 -0.2881 8.2119 8.2154 9.9528 9.9657 10.6765 10.7068 13.0116 13.0240 14.9255 14.9686 15.9286 15.9482 17.0693 17.1074 17.9364 17.9860 k = 0.5577-0.0333 0.5182 ( 775 PWs) bands (ev): -50.1343 -50.1343 -24.6816 -24.6366 -23.9120 -23.8466 -23.8014 -23.7849 -0.3166 -0.2861 8.2274 8.2309 9.9309 9.9429 10.6953 10.7260 13.0049 13.0164 14.8967 14.9405 15.9348 15.9533 17.0526 17.0890 17.9606 18.0105 k = 0.5529-0.0305 0.5260 ( 775 PWs) bands (ev): -50.1342 -50.1342 -24.6818 -24.6364 -23.9118 -23.8456 -23.8028 -23.7860 -0.3149 -0.2841 8.2430 8.2463 9.9104 9.9216 10.7127 10.7439 12.9976 13.0084 14.8688 14.9134 15.9409 15.9581 17.0377 17.0723 17.9826 18.0329 k = 0.5481-0.0278 0.5339 ( 773 PWs) bands (ev): -50.1342 -50.1342 -24.6820 -24.6363 -23.9117 -23.8446 -23.8042 -23.7870 -0.3131 -0.2821 8.2584 8.2616 9.8914 9.9019 10.7288 10.7603 12.9900 13.0000 14.8424 14.8875 15.9469 15.9627 17.0244 17.0572 18.0024 18.0530 k = 0.5433-0.0250 0.5417 ( 773 PWs) bands (ev): -50.1341 -50.1341 -24.6823 -24.6362 -23.9115 -23.8436 -23.8057 -23.7881 -0.3114 -0.2801 8.2733 8.2764 9.8739 9.8838 10.7434 10.7752 12.9820 12.9913 14.8176 14.8633 15.9526 15.9669 17.0129 17.0438 18.0199 18.0707 k = 0.5385-0.0222 0.5496 ( 774 PWs) bands (ev): -50.1340 -50.1340 -24.6825 -24.6361 -23.9114 -23.8425 -23.8071 -23.7890 -0.3098 -0.2782 8.2876 8.2906 9.8582 9.8676 10.7565 10.7886 12.9738 12.9824 14.7949 14.8410 15.9580 15.9706 17.0029 17.0320 18.0352 18.0862 k = 0.5337-0.0194 0.5574 ( 777 PWs) bands (ev): -50.1340 -50.1340 -24.6827 -24.6360 -23.9113 -23.8414 -23.8085 -23.7899 -0.3082 -0.2764 8.3010 8.3038 9.8442 9.8533 10.7682 10.8004 12.9656 12.9736 14.7746 14.8211 15.9630 15.9739 16.9945 17.0218 18.0482 18.0994 k = 0.5288-0.0167 0.5653 ( 777 PWs) bands (ev): -50.1339 -50.1339 -24.6829 -24.6359 -23.9112 -23.8404 -23.8098 -23.7908 -0.3067 -0.2748 8.3133 8.3158 9.8320 9.8409 10.7783 10.8107 12.9574 12.9650 14.7569 14.8037 15.9674 15.9766 16.9875 17.0132 18.0590 18.1104 k = 0.5240-0.0139 0.5731 ( 777 PWs) bands (ev): -50.1339 -50.1339 -24.6831 -24.6358 -23.9112 -23.8394 -23.8111 -23.7915 -0.3054 -0.2733 8.3242 8.3264 9.8218 9.8305 10.7869 10.8195 12.9497 12.9569 14.7418 14.7889 15.9712 15.9788 16.9820 17.0061 18.0678 18.1193 k = 0.5192-0.0111 0.5810 ( 777 PWs) bands (ev): -50.1338 -50.1338 -24.6832 -24.6358 -23.9112 -23.8385 -23.8122 -23.7921 -0.3043 -0.2720 8.3335 8.3354 9.8135 9.8222 10.7940 10.8266 12.9427 12.9495 14.7296 14.7769 15.9745 15.9804 16.9777 17.0004 18.0746 18.1262 k = 0.5144-0.0083 0.5888 ( 777 PWs) bands (ev): -50.1338 -50.1338 -24.6834 -24.6357 -23.9111 -23.8377 -23.8132 -23.7926 -0.3033 -0.2710 8.3411 8.3425 9.8071 9.8158 10.7995 10.8322 12.9366 12.9432 14.7202 14.7677 15.9771 15.9814 16.9746 16.9962 18.0796 18.1313 k = 0.5096-0.0056 0.5967 ( 774 PWs) bands (ev): -50.1338 -50.1338 -24.6834 -24.6357 -23.9111 -23.8370 -23.8140 -23.7929 -0.3026 -0.2702 8.3467 8.3477 9.8027 9.8113 10.8034 10.8362 12.9318 12.9383 14.7136 14.7612 15.9791 15.9818 16.9726 16.9933 18.0830 18.1347 k = 0.5048-0.0028 0.6045 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6835 -24.6357 -23.9111 -23.8366 -23.8145 -23.7932 -0.3022 -0.2697 8.3502 8.3508 9.8001 9.8088 10.8058 10.8386 12.9287 12.9351 14.7098 14.7574 15.9805 15.9818 16.9714 16.9917 18.0848 18.1366 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6835 -24.6357 -23.9111 -23.8365 -23.8146 -23.7932 -0.3020 -0.2695 8.3514 8.3518 9.7992 9.8079 10.8066 10.8394 12.9275 12.9340 14.7085 14.7562 15.9813 15.9814 16.9711 16.9911 18.0854 18.1372 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6835 -24.6357 -23.9111 -23.8365 -23.8146 -23.7932 -0.3020 -0.2695 8.3514 8.3518 9.7992 9.8079 10.8066 10.8394 12.9275 12.9340 14.7085 14.7562 15.9813 15.9814 16.9711 16.9911 18.0854 18.1372 k = 0.5000 0.0057 0.6044 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6835 -24.6356 -23.9111 -23.8365 -23.8145 -23.7931 -0.3024 -0.2699 8.3517 8.3526 9.7978 9.8065 10.8050 10.8378 12.9296 12.9361 14.7097 14.7573 15.9801 15.9819 16.9724 16.9928 18.0857 18.1375 k = 0.5000 0.0113 0.5964 ( 772 PWs) bands (ev): -50.1338 -50.1338 -24.6834 -24.6356 -23.9111 -23.8366 -23.8142 -23.7928 -0.3035 -0.2710 8.3530 8.3546 9.7935 9.8021 10.8002 10.8331 12.9359 12.9424 14.7133 14.7608 15.9781 15.9816 16.9762 16.9977 18.0865 18.1382 k = 0.5000 0.0170 0.5884 ( 778 PWs) bands (ev): -50.1339 -50.1339 -24.6832 -24.6354 -23.9111 -23.8368 -23.8137 -23.7923 -0.3053 -0.2728 8.3554 8.3578 9.7864 9.7949 10.7923 10.8252 12.9462 12.9530 14.7191 14.7663 15.9754 15.9807 16.9827 17.0058 18.0879 18.1395 k = 0.5000 0.0226 0.5804 ( 778 PWs) bands (ev): -50.1340 -50.1340 -24.6830 -24.6352 -23.9111 -23.8370 -23.8130 -23.7915 -0.3078 -0.2754 8.3589 8.3620 9.7766 9.7851 10.7812 10.8141 12.9608 12.9680 14.7271 14.7741 15.9720 15.9789 16.9920 17.0171 18.0899 18.1413 k = 0.5000 0.0283 0.5723 ( 780 PWs) bands (ev): -50.1341 -50.1341 -24.6826 -24.6350 -23.9110 -23.8373 -23.8120 -23.7906 -0.3111 -0.2787 8.3634 8.3672 9.7643 9.7727 10.7670 10.7999 12.9796 12.9872 14.7371 14.7837 15.9679 15.9763 17.0040 17.0313 18.0924 18.1436 k = 0.5000 0.0340 0.5643 ( 780 PWs) bands (ev): -50.1342 -50.1342 -24.6823 -24.6347 -23.9109 -23.8376 -23.8109 -23.7895 -0.3150 -0.2827 8.3689 8.3735 9.7497 9.7580 10.7497 10.7825 13.0026 13.0107 14.7490 14.7951 15.9631 15.9728 17.0189 17.0485 18.0953 18.1463 k = 0.5000 0.0396 0.5563 ( 780 PWs) bands (ev): -50.1344 -50.1344 -24.6818 -24.6344 -23.9108 -23.8380 -23.8095 -23.7883 -0.3196 -0.2875 8.3753 8.3807 9.7330 9.7412 10.7293 10.7621 13.0297 13.0386 14.7624 14.8080 15.9575 15.9685 17.0366 17.0685 18.0988 18.1494 k = 0.5000 0.0453 0.5483 ( 778 PWs) bands (ev): -50.1345 -50.1345 -24.6813 -24.6340 -23.9107 -23.8385 -23.8079 -23.7868 -0.3249 -0.2929 8.3827 8.3888 9.7145 9.7226 10.7059 10.7386 13.0610 13.0707 14.7772 14.8224 15.9512 15.9633 17.0572 17.0912 18.1027 18.1530 k = 0.5000 0.0509 0.5403 ( 776 PWs) bands (ev): -50.1347 -50.1347 -24.6807 -24.6336 -23.9105 -23.8390 -23.8061 -23.7853 -0.3308 -0.2989 8.3909 8.3977 9.6944 9.7024 10.6798 10.7122 13.0965 13.1071 14.7932 14.8378 15.9441 15.9572 17.0805 17.1166 18.1071 18.1569 k = 0.5000 0.0566 0.5323 ( 778 PWs) bands (ev): -50.1349 -50.1349 -24.6801 -24.6332 -23.9103 -23.8395 -23.8040 -23.7836 -0.3374 -0.3057 8.3999 8.4074 9.6730 9.6808 10.6509 10.6830 13.1360 13.1475 14.8100 14.8541 15.9362 15.9502 17.1066 17.1445 18.1117 18.1612 k = 0.5000 0.0623 0.5243 ( 778 PWs) bands (ev): -50.1352 -50.1352 -24.6794 -24.6327 -23.9100 -23.8401 -23.8018 -23.7818 -0.3446 -0.3130 8.4095 8.4177 9.6506 9.6583 10.6196 10.6513 13.1793 13.1918 14.8276 14.8711 15.9276 15.9423 17.1352 17.1748 18.1168 18.1657 k = 0.5000 0.0679 0.5163 ( 782 PWs) bands (ev): -50.1354 -50.1354 -24.6786 -24.6322 -23.9097 -23.8407 -23.7994 -23.7799 -0.3523 -0.3209 8.4197 8.4286 9.6273 9.6349 10.5860 10.6172 13.2265 13.2399 14.8456 14.8885 15.9182 15.9335 17.1663 17.2073 18.1220 18.1705 k = 0.5000 0.0736 0.5083 ( 782 PWs) bands (ev): -50.1357 -50.1357 -24.6778 -24.6317 -23.9093 -23.8413 -23.7969 -23.7779 -0.3606 -0.3295 8.4303 8.4399 9.6037 9.6111 10.5504 10.5810 13.2772 13.2917 14.8640 14.9063 15.9081 15.9239 17.1996 17.2419 18.1276 18.1755 k = 0.5000 0.0792 0.5003 ( 784 PWs) bands (ev): -50.1360 -50.1360 -24.6770 -24.6312 -23.9089 -23.8420 -23.7941 -23.7758 -0.3694 -0.3385 8.4412 8.4514 9.5797 9.5870 10.5131 10.5430 13.3313 13.3467 14.8825 14.9243 15.8972 15.9135 17.2351 17.2784 18.1334 18.1807 k = 0.5000 0.0849 0.4923 ( 784 PWs) bands (ev): -50.1363 -50.1363 -24.6761 -24.6307 -23.9084 -23.8426 -23.7913 -23.7737 -0.3786 -0.3481 8.4523 8.4631 9.5559 9.5630 10.4743 10.5034 13.3886 13.4050 14.9011 14.9423 15.8857 15.9023 17.2724 17.3166 18.1393 18.1860 k = 0.5000 0.0906 0.4843 ( 782 PWs) bands (ev): -50.1366 -50.1366 -24.6751 -24.6302 -23.9078 -23.8433 -23.7883 -23.7714 -0.3884 -0.3581 8.4634 8.4748 9.5323 9.5393 10.4344 10.4626 13.4488 13.4661 14.9196 14.9603 15.8735 15.8904 17.3114 17.3562 18.1454 18.1915 k = 0.5000 0.0962 0.4763 ( 780 PWs) bands (ev): -50.1369 -50.1369 -24.6742 -24.6297 -23.9072 -23.8439 -23.7852 -23.7691 -0.3985 -0.3686 8.4743 8.4863 9.5094 9.5161 10.3935 10.4209 13.5117 13.5299 14.9379 14.9781 15.8607 15.8779 17.3519 17.3971 18.1515 18.1970 k = 0.5000 0.1019 0.4683 ( 782 PWs) bands (ev): -50.1373 -50.1373 -24.6732 -24.6292 -23.9065 -23.8445 -23.7820 -23.7667 -0.4090 -0.3795 8.4848 8.4973 9.4873 9.4939 10.3520 10.3784 13.5770 13.5962 14.9560 14.9956 15.8473 15.8648 17.3934 17.4390 18.1577 18.2025 k = 0.5000 0.1075 0.4603 ( 788 PWs) bands (ev): -50.1377 -50.1377 -24.6721 -24.6288 -23.9057 -23.8452 -23.7788 -23.7643 -0.4199 -0.3908 8.4947 8.5078 9.4663 9.4727 10.3101 10.3355 13.6445 13.6645 14.9737 15.0129 15.8334 15.8512 17.4359 17.4817 18.1639 18.2080 k = 0.5000 0.1132 0.4523 ( 788 PWs) bands (ev): -50.1380 -50.1380 -24.6711 -24.6283 -23.9049 -23.8458 -23.7754 -23.7618 -0.4311 -0.4024 8.5038 8.5174 9.4467 9.4530 10.2681 10.2924 13.7139 13.7348 14.9911 15.0298 15.8191 15.8372 17.4791 17.5249 18.1702 18.2135 k = 0.5000 0.1189 0.4443 ( 790 PWs) bands (ev): -50.1384 -50.1384 -24.6700 -24.6279 -23.9040 -23.8464 -23.7720 -23.7592 -0.4425 -0.4142 8.5118 8.5259 9.4287 9.4348 10.2262 10.2495 13.7849 13.8067 15.0081 15.0464 15.8043 15.8228 17.5227 17.5684 18.1764 18.2189 k = 0.5000 0.1245 0.4363 ( 790 PWs) bands (ev): -50.1388 -50.1388 -24.6688 -24.6275 -23.9030 -23.8471 -23.7686 -23.7566 -0.4541 -0.4264 8.5186 8.5330 9.4126 9.4186 10.1847 10.2069 13.8573 13.8799 15.0247 15.0625 15.7893 15.8081 17.5665 17.6119 18.1826 18.2243 k = 0.5000 0.1302 0.4283 ( 790 PWs) bands (ev): -50.1392 -50.1392 -24.6677 -24.6272 -23.9020 -23.8477 -23.7651 -23.7540 -0.4659 -0.4387 8.5239 8.5387 9.3986 9.4046 10.1437 10.1648 13.9308 13.9543 15.0410 15.0783 15.7739 15.7932 17.6102 17.6553 18.1887 18.2296 k = 0.5000 0.1358 0.4203 ( 790 PWs) bands (ev): -50.1396 -50.1396 -24.6666 -24.6269 -23.9009 -23.8483 -23.7616 -23.7514 -0.4778 -0.4512 8.5275 8.5426 9.3869 9.3928 10.1034 10.1234 14.0051 14.0295 15.0568 15.0938 15.7584 15.7781 17.6536 17.6983 18.1947 18.2347 k = 0.5000 0.1415 0.4123 ( 790 PWs) bands (ev): -50.1400 -50.1400 -24.6654 -24.6266 -23.8998 -23.8489 -23.7581 -23.7487 -0.4897 -0.4638 8.5293 8.5447 9.3776 9.3835 10.0640 10.0829 14.0801 14.1053 15.0722 15.1088 15.7427 15.7629 17.6965 17.7407 18.2006 18.2398 k = 0.5000 0.1472 0.4042 ( 792 PWs) bands (ev): -50.1404 -50.1404 -24.6642 -24.6264 -23.8986 -23.8495 -23.7545 -23.7460 -0.5018 -0.4764 8.5291 8.5448 9.3708 9.3768 10.0256 10.0435 14.1553 14.1814 15.0873 15.1234 15.7270 15.7477 17.7387 17.7823 18.2064 18.2447 k = 0.5000 0.1528 0.3962 ( 792 PWs) bands (ev): -50.1408 -50.1408 -24.6630 -24.6262 -23.8974 -23.8501 -23.7511 -23.7433 -0.5137 -0.4891 8.5270 8.5428 9.3666 9.3727 9.9884 10.0053 14.2305 14.2576 15.1019 15.1376 15.7113 15.7326 17.7801 17.8230 18.2121 18.2494 k = 0.5000 0.1585 0.3882 ( 792 PWs) bands (ev): -50.1411 -50.1411 -24.6619 -24.6261 -23.8962 -23.8507 -23.7476 -23.7406 -0.5257 -0.5017 8.5230 8.5388 9.3650 9.3712 9.9525 9.9683 14.3055 14.3335 15.1162 15.1515 15.6957 15.7176 17.8204 17.8625 18.2176 18.2540 k = 0.5000 0.1641 0.3802 ( 792 PWs) bands (ev): -50.1415 -50.1415 -24.6607 -24.6261 -23.8949 -23.8513 -23.7442 -23.7379 -0.5375 -0.5143 8.5170 8.5328 9.3658 9.3721 9.9179 9.9327 14.3800 14.4089 15.1301 15.1649 15.6803 15.7029 17.8595 17.9008 18.2231 18.2585 k = 0.5000 0.1698 0.3722 ( 794 PWs) bands (ev): -50.1419 -50.1419 -24.6595 -24.6261 -23.8936 -23.8519 -23.7408 -23.7353 -0.5491 -0.5267 8.5094 8.5250 9.3690 9.3754 9.8848 9.8986 14.4536 14.4836 15.1436 15.1780 15.6651 15.6884 17.8973 17.9376 18.2284 18.2627 k = 0.5000 0.1755 0.3642 ( 792 PWs) bands (ev): -50.1423 -50.1423 -24.6583 -24.6261 -23.8923 -23.8524 -23.7375 -23.7326 -0.5606 -0.5390 8.5002 8.5156 9.3742 9.3807 9.8532 9.8661 14.5261 14.5571 15.1567 15.1907 15.6503 15.6743 17.9336 17.9730 18.2336 18.2669 k = 0.5000 0.1811 0.3562 ( 792 PWs) bands (ev): -50.1426 -50.1426 -24.6571 -24.6262 -23.8909 -23.8530 -23.7343 -23.7300 -0.5718 -0.5511 8.4896 8.5047 9.3813 9.3878 9.8231 9.8351 14.5973 14.6294 15.1694 15.2030 15.6358 15.6607 17.9684 18.0068 18.2386 18.2708 k = 0.5000 0.1868 0.3482 ( 792 PWs) bands (ev): -50.1430 -50.1430 -24.6560 -24.6264 -23.8896 -23.8536 -23.7312 -23.7275 -0.5827 -0.5628 8.4780 8.4927 9.3901 9.3965 9.7946 9.8057 14.6667 14.6999 15.1818 15.2150 15.6219 15.6475 18.0017 18.0388 18.2436 18.2746 k = 0.5000 0.1925 0.3402 ( 798 PWs) bands (ev): -50.1434 -50.1434 -24.6548 -24.6266 -23.8882 -23.8543 -23.7281 -23.7250 -0.5932 -0.5743 8.4655 8.4797 9.4001 9.4065 9.7676 9.7780 14.7340 14.7685 15.1937 15.2264 15.6086 15.6351 18.0332 18.0691 18.2484 18.2781 k = 0.5000 0.1981 0.3322 ( 792 PWs) bands (ev): -50.1437 -50.1437 -24.6536 -24.6268 -23.8869 -23.8549 -23.7252 -23.7226 -0.6034 -0.5854 8.4524 8.4661 9.4112 9.4175 9.7423 9.7519 14.7991 14.8348 15.2052 15.2375 15.5960 15.6233 18.0630 18.0976 18.2531 18.2816 k = 0.5000 0.2038 0.3242 ( 792 PWs) bands (ev): -50.1440 -50.1440 -24.6525 -24.6271 -23.8855 -23.8555 -23.7224 -23.7202 -0.6131 -0.5961 8.4390 8.4521 9.4231 9.4293 9.7187 9.7275 14.8614 14.8984 15.2163 15.2482 15.5842 15.6124 18.0911 18.1242 18.2577 18.2848 k = 0.5000 0.2094 0.3162 ( 792 PWs) bands (ev): -50.1443 -50.1443 -24.6513 -24.6275 -23.8842 -23.8562 -23.7198 -23.7179 -0.6224 -0.6064 8.4254 8.4379 9.4354 9.4415 9.6967 9.7047 14.9207 14.9591 15.2269 15.2583 15.5734 15.6025 18.1174 18.1490 18.2621 18.2878 k = 0.5000 0.2151 0.3082 ( 792 PWs) bands (ev): -50.1446 -50.1446 -24.6502 -24.6279 -23.8828 -23.8568 -23.7172 -23.7158 -0.6312 -0.6162 8.4120 8.4237 9.4481 9.4539 9.6762 9.6836 14.9766 15.0163 15.2371 15.2680 15.5637 15.5937 18.1420 18.1718 18.2665 18.2907 k = 0.5000 0.2208 0.3002 ( 790 PWs) bands (ev): -50.1449 -50.1449 -24.6491 -24.6284 -23.8815 -23.8575 -23.7149 -23.7137 -0.6394 -0.6255 8.3988 8.4098 9.4607 9.4663 9.6574 9.6641 15.0288 15.0699 15.2468 15.2772 15.5553 15.5860 18.1648 18.1928 18.2708 18.2934 k = 0.5000 0.2264 0.2922 ( 790 PWs) bands (ev): -50.1451 -50.1451 -24.6480 -24.6289 -23.8802 -23.8582 -23.7127 -23.7117 -0.6471 -0.6343 8.3861 8.3964 9.4732 9.4784 9.6403 9.6463 15.0768 15.1192 15.2559 15.2857 15.5484 15.5797 18.1858 18.2118 18.2749 18.2958 k = 0.5000 0.2321 0.2842 ( 794 PWs) bands (ev): -50.1454 -50.1454 -24.6469 -24.6294 -23.8789 -23.8589 -23.7106 -23.7099 -0.6541 -0.6424 8.3741 8.3835 9.4852 9.4901 9.6246 9.6301 15.1204 15.1639 15.2645 15.2937 15.5433 15.5749 18.2050 18.2289 18.2790 18.2981 k = 0.5000 0.2377 0.2762 ( 792 PWs) bands (ev): -50.1456 -50.1456 -24.6458 -24.6300 -23.8776 -23.8597 -23.7088 -23.7082 -0.6606 -0.6499 8.3628 8.3714 9.4967 9.5012 9.6106 9.6154 15.1591 15.2036 15.2726 15.3011 15.5402 15.5717 18.2224 18.2441 18.2830 18.3001 k = 0.5000 0.2434 0.2682 ( 788 PWs) bands (ev): -50.1458 -50.1458 -24.6447 -24.6306 -23.8764 -23.8604 -23.7071 -23.7067 -0.6663 -0.6568 8.3524 8.3601 9.5075 9.5115 9.5982 9.6024 15.1930 15.2378 15.2801 15.3079 15.5394 15.5700 18.2381 18.2572 18.2870 18.3019 k = 0.5000 0.2491 0.2602 ( 788 PWs) bands (ev): -50.1459 -50.1459 -24.6437 -24.6313 -23.8752 -23.8612 -23.7056 -23.7053 -0.6714 -0.6630 8.3431 8.3499 9.5173 9.5209 9.5872 9.5909 15.2217 15.2662 15.2870 15.3140 15.5408 15.5699 18.2521 18.2682 18.2910 18.3035 k = 0.5000 0.2547 0.2522 ( 788 PWs) bands (ev): -50.1461 -50.1461 -24.6426 -24.6320 -23.8740 -23.8620 -23.7043 -23.7041 -0.6757 -0.6685 8.3349 8.3408 9.5261 9.5293 9.5778 9.5809 15.2453 15.2882 15.2938 15.3194 15.5444 15.5710 18.2642 18.2770 18.2951 18.3050 k = 0.5000 0.2604 0.2441 ( 788 PWs) bands (ev): -50.1462 -50.1462 -24.6416 -24.6327 -23.8728 -23.8628 -23.7032 -23.7031 -0.6793 -0.6733 8.3279 8.3328 9.5338 9.5365 9.5699 9.5725 15.2642 15.2975 15.3071 15.3241 15.5498 15.5730 18.2745 18.2837 18.2994 18.3062 k = 0.5000 0.2660 0.2361 ( 788 PWs) bands (ev): -50.1463 -50.1463 -24.6406 -24.6335 -23.8717 -23.8637 -23.7023 -23.7022 -0.6822 -0.6774 8.3222 8.3261 9.5403 9.5424 9.5635 9.5656 15.2788 15.3021 15.3195 15.3282 15.5563 15.5754 18.2829 18.2885 18.3034 18.3075 k = 0.5000 0.2717 0.2281 ( 788 PWs) bands (ev): -50.1464 -50.1464 -24.6397 -24.6343 -23.8706 -23.8646 -23.7016 -23.7015 -0.6843 -0.6807 8.3178 8.3208 9.5455 9.5471 9.5586 9.5601 15.2896 15.3052 15.3280 15.3316 15.5630 15.5776 18.2892 18.2919 18.3066 18.3089 k = 0.5000 0.2774 0.2201 ( 792 PWs) bands (ev): -50.1465 -50.1465 -24.6387 -24.6351 -23.8695 -23.8655 -23.7011 -23.7010 -0.6857 -0.6833 8.3148 8.3168 9.5493 9.5504 9.5552 9.5562 15.2973 15.3070 15.3332 15.3343 15.5690 15.5789 18.2934 18.2943 18.3088 18.3103 k = 0.5000 0.2830 0.2121 ( 792 PWs) bands (ev): -50.1465 -50.1465 -24.6378 -24.6360 -23.8685 -23.8665 -23.7008 -23.7008 -0.6862 -0.6850 8.3131 8.3141 9.5516 9.5521 9.5534 9.5538 15.3026 15.3072 15.3360 15.3361 15.5740 15.5789 18.2956 18.2958 18.3103 18.3112 k = 0.5000 0.2887 0.2041 ( 796 PWs) bands (ev): -50.1465 -50.1465 -24.6369 -24.6369 -23.8675 -23.8675 -23.7007 -23.7007 -0.6860 -0.6860 8.3129 8.3129 9.5522 9.5522 9.5532 9.5532 15.3058 15.3058 15.3368 15.3368 15.5773 15.5773 18.2963 18.2963 18.3112 18.3112 k = 0.5000 0.2887 0.2041 ( 796 PWs) bands (ev): -50.1465 -50.1465 -24.6369 -24.6369 -23.8675 -23.8675 -23.7007 -23.7007 -0.6860 -0.6860 8.3129 8.3129 9.5522 9.5522 9.5532 9.5532 15.3058 15.3058 15.3368 15.3368 15.5773 15.5773 18.2963 18.2963 18.3112 18.3112 k = 0.4972 0.2871 0.2132 ( 792 PWs) bands (ev): -50.1465 -50.1465 -24.6378 -24.6360 -23.8685 -23.8665 -23.7007 -23.7007 -0.6862 -0.6851 8.3131 8.3141 9.5517 9.5519 9.5535 9.5537 15.3027 15.3072 15.3361 15.3361 15.5740 15.5789 18.2957 18.2958 18.3104 18.3113 k = 0.4944 0.2855 0.2223 ( 790 PWs) bands (ev): -50.1465 -50.1465 -24.6387 -24.6352 -23.8695 -23.8656 -23.7010 -23.7010 -0.6857 -0.6833 8.3147 8.3166 9.5496 9.5501 9.5555 9.5558 15.2976 15.3070 15.3337 15.3341 15.5692 15.5789 18.2937 18.2942 18.3090 18.3103 k = 0.4917 0.2839 0.2313 ( 789 PWs) bands (ev): -50.1464 -50.1464 -24.6396 -24.6344 -23.8705 -23.8647 -23.7015 -23.7015 -0.6844 -0.6809 8.3176 8.3205 9.5461 9.5469 9.5589 9.5594 15.2902 15.3052 15.3293 15.3309 15.5633 15.5777 18.2899 18.2916 18.3074 18.3084 k = 0.4889 0.2823 0.2404 ( 787 PWs) bands (ev): -50.1463 -50.1463 -24.6406 -24.6336 -23.8716 -23.8638 -23.7022 -23.7022 -0.6824 -0.6777 8.3218 8.3257 9.5413 9.5423 9.5638 9.5644 15.2799 15.3015 15.3226 15.3266 15.5568 15.5756 18.2841 18.2878 18.3057 18.3058 k = 0.4861 0.2807 0.2495 ( 787 PWs) bands (ev): -50.1462 -50.1462 -24.6415 -24.6328 -23.8727 -23.8629 -23.7031 -23.7030 -0.6796 -0.6737 8.3273 8.3321 9.5353 9.5365 9.5700 9.5708 15.2663 15.2950 15.3138 15.3214 15.5505 15.5733 18.2765 18.2825 18.3026 18.3040 k = 0.4833 0.2791 0.2586 ( 787 PWs) bands (ev): -50.1461 -50.1461 -24.6425 -24.6321 -23.8739 -23.8621 -23.7041 -23.7040 -0.6762 -0.6691 8.3341 8.3398 9.5281 9.5296 9.5777 9.5785 15.2487 15.2836 15.3044 15.3153 15.5452 15.5713 18.2671 18.2756 18.2991 18.3022 k = 0.4806 0.2774 0.2676 ( 787 PWs) bands (ev): -50.1459 -50.1459 -24.6435 -24.6314 -23.8750 -23.8613 -23.7054 -23.7052 -0.6720 -0.6638 8.3420 8.3486 9.5200 9.5217 9.5866 9.5877 15.2265 15.2653 15.2958 15.3085 15.5417 15.5703 18.2561 18.2670 18.2954 18.2999 k = 0.4778 0.2758 0.2767 ( 789 PWs) bands (ev): -50.1458 -50.1458 -24.6446 -24.6307 -23.8762 -23.8605 -23.7068 -23.7065 -0.6671 -0.6578 8.3509 8.3585 9.5110 9.5130 9.5970 9.5981 15.1995 15.2399 15.2877 15.3010 15.5406 15.5706 18.2436 18.2566 18.2913 18.2973 k = 0.4750 0.2742 0.2858 ( 791 PWs) bands (ev): -50.1456 -50.1456 -24.6456 -24.6301 -23.8774 -23.8598 -23.7084 -23.7080 -0.6616 -0.6511 8.3609 8.3693 9.5013 9.5036 9.6086 9.6099 15.1674 15.2083 15.2794 15.2930 15.5419 15.5724 18.2296 18.2447 18.2869 18.2943 k = 0.4722 0.2726 0.2948 ( 790 PWs) bands (ev): -50.1454 -50.1454 -24.6467 -24.6295 -23.8787 -23.8591 -23.7102 -23.7097 -0.6554 -0.6438 8.3717 8.3809 9.4911 9.4938 9.6215 9.6230 15.1304 15.1709 15.2706 15.2844 15.5457 15.5761 18.2142 18.2312 18.2820 18.2906 k = 0.4694 0.2710 0.3039 ( 792 PWs) bands (ev): -50.1452 -50.1452 -24.6477 -24.6290 -23.8799 -23.8583 -23.7122 -23.7114 -0.6486 -0.6360 8.3831 8.3931 9.4807 9.4837 9.6356 9.6372 15.0885 15.1282 15.2613 15.2754 15.5518 15.5815 18.1974 18.2163 18.2766 18.2864 k = 0.4667 0.2694 0.3130 ( 790 PWs) bands (ev): -50.1449 -50.1449 -24.6488 -24.6285 -23.8812 -23.8577 -23.7143 -23.7133 -0.6412 -0.6275 8.3952 8.4059 9.4702 9.4736 9.6510 9.6527 15.0421 15.0808 15.2514 15.2659 15.5599 15.5885 18.1794 18.1999 18.2707 18.2815 k = 0.4639 0.2678 0.3221 ( 792 PWs) bands (ev): -50.1447 -50.1447 -24.6499 -24.6280 -23.8825 -23.8570 -23.7165 -23.7153 -0.6332 -0.6185 8.4075 8.4189 9.4601 9.4639 9.6674 9.6694 14.9914 15.0289 15.2411 15.2559 15.5698 15.5972 18.1600 18.1821 18.2640 18.2759 k = 0.4611 0.2662 0.3311 ( 790 PWs) bands (ev): -50.1444 -50.1444 -24.6510 -24.6276 -23.8839 -23.8563 -23.7189 -23.7174 -0.6248 -0.6090 8.4199 8.4319 9.4505 9.4548 9.6851 9.6872 14.9368 14.9730 15.2305 15.2457 15.5812 15.6074 18.1394 18.1630 18.2567 18.2696 k = 0.4583 0.2646 0.3402 ( 792 PWs) bands (ev): -50.1441 -50.1441 -24.6521 -24.6273 -23.8852 -23.8557 -23.7215 -23.7197 -0.6158 -0.5991 8.4322 8.4447 9.4419 9.4467 9.7038 9.7060 14.8786 14.9136 15.2195 15.2352 15.5941 15.6189 18.1175 18.1425 18.2485 18.2624 k = 0.4556 0.2630 0.3493 ( 792 PWs) bands (ev): -50.1438 -50.1438 -24.6533 -24.6269 -23.8865 -23.8551 -23.7241 -23.7220 -0.6063 -0.5887 8.4440 8.4570 9.4345 9.4400 9.7235 9.7259 14.8172 14.8509 15.2083 15.2245 15.6082 15.6317 18.0944 18.1208 18.2396 18.2543 k = 0.4528 0.2614 0.3584 ( 794 PWs) bands (ev): -50.1435 -50.1435 -24.6544 -24.6267 -23.8879 -23.8545 -23.7269 -23.7243 -0.5965 -0.5779 8.4551 8.4684 9.4289 9.4350 9.7442 9.7467 14.7528 14.7854 15.1970 15.2137 15.6234 15.6455 18.0701 18.0979 18.2298 18.2454 k = 0.4500 0.2598 0.3674 ( 794 PWs) bands (ev): -50.1431 -50.1431 -24.6555 -24.6265 -23.8892 -23.8539 -23.7298 -23.7267 -0.5863 -0.5668 8.4650 8.4785 9.4253 9.4323 9.7658 9.7685 14.6858 14.7173 15.1856 15.2029 15.6395 15.6603 18.0447 18.0737 18.2190 18.2354 k = 0.4472 0.2582 0.3765 ( 790 PWs) bands (ev): -50.1428 -50.1428 -24.6567 -24.6263 -23.8906 -23.8533 -23.7327 -23.7292 -0.5757 -0.5554 8.4736 8.4872 9.4243 9.4321 9.7883 9.7911 14.6166 14.6471 15.1744 15.1922 15.6565 15.6760 18.0182 18.0484 18.2073 18.2245 k = 0.4444 0.2566 0.3856 ( 790 PWs) bands (ev): -50.1424 -50.1424 -24.6578 -24.6262 -23.8920 -23.8528 -23.7358 -23.7317 -0.5649 -0.5437 8.4804 8.4939 9.4261 9.4349 9.8115 9.8145 14.5454 14.5749 15.1632 15.1816 15.6742 15.6924 17.9905 18.0219 18.1945 18.2124 k = 0.4417 0.2550 0.3946 ( 786 PWs) bands (ev): -50.1420 -50.1420 -24.6590 -24.6262 -23.8933 -23.8522 -23.7389 -23.7342 -0.5537 -0.5318 8.4851 8.4985 9.4311 9.4411 9.8355 9.8386 14.4725 14.5011 15.1524 15.1713 15.6926 15.7094 17.9618 17.9944 18.1807 18.1994 k = 0.4389 0.2534 0.4037 ( 786 PWs) bands (ev): -50.1417 -50.1417 -24.6602 -24.6262 -23.8947 -23.8517 -23.7421 -23.7368 -0.5424 -0.5197 8.4876 8.5007 9.4397 9.4509 9.8601 9.8633 14.3983 14.4261 15.1419 15.1613 15.7114 15.7270 17.9321 17.9659 18.1658 18.1851 k = 0.4361 0.2518 0.4128 ( 786 PWs) bands (ev): -50.1413 -50.1413 -24.6613 -24.6263 -23.8960 -23.8512 -23.7452 -23.7393 -0.5310 -0.5075 8.4876 8.5003 9.4519 9.4644 9.8852 9.8886 14.3231 14.3500 15.1318 15.1517 15.7307 15.7449 17.9015 17.9364 18.1498 18.1698 k = 0.4333 0.2502 0.4219 ( 786 PWs) bands (ev): -50.1409 -50.1409 -24.6625 -24.6264 -23.8974 -23.8507 -23.7485 -23.7418 -0.5194 -0.4953 8.4850 8.4973 9.4680 9.4818 9.9108 9.9143 14.2471 14.2733 15.1223 15.1427 15.7501 15.7630 17.8700 17.9060 18.1327 18.1533 k = 0.4306 0.2486 0.4309 ( 786 PWs) bands (ev): -50.1405 -50.1405 -24.6636 -24.6266 -23.8987 -23.8502 -23.7517 -23.7443 -0.5077 -0.4830 8.4799 8.4917 9.4879 9.5032 9.9369 9.9405 14.1706 14.1962 15.1134 15.1343 15.7698 15.7813 17.8378 17.8750 18.1145 18.1356 k = 0.4278 0.2470 0.4400 ( 788 PWs) bands (ev): -50.1402 -50.1402 -24.6647 -24.6268 -23.9000 -23.8498 -23.7549 -23.7468 -0.4960 -0.4707 8.4722 8.4835 9.5116 9.5283 9.9632 9.9669 14.0941 14.1190 15.1052 15.1266 15.7894 15.7996 17.8050 17.8432 18.0951 18.1168 k = 0.4250 0.2454 0.4491 ( 785 PWs) bands (ev): -50.1398 -50.1398 -24.6659 -24.6271 -23.9012 -23.8494 -23.7581 -23.7492 -0.4844 -0.4585 8.4622 8.4729 9.5390 9.5570 9.9898 9.9936 14.0177 14.0420 15.0978 15.1198 15.8088 15.8176 17.7717 17.8111 18.0746 18.0968 k = 0.4222 0.2438 0.4581 ( 787 PWs) bands (ev): -50.1394 -50.1394 -24.6670 -24.6274 -23.9024 -23.8490 -23.7612 -23.7516 -0.4728 -0.4464 8.4500 8.4601 9.5697 9.5891 10.0165 10.0205 13.9418 13.9656 15.0914 15.1138 15.8279 15.8353 17.7380 17.7786 18.0529 18.0756 k = 0.4194 0.2422 0.4672 ( 787 PWs) bands (ev): -50.1390 -50.1390 -24.6681 -24.6278 -23.9036 -23.8486 -23.7642 -23.7539 -0.4614 -0.4345 8.4358 8.4453 9.6035 9.6243 10.0432 10.0473 13.8667 13.8900 15.0859 15.1088 15.8465 15.8524 17.7042 17.7460 18.0301 18.0533 k = 0.4167 0.2406 0.4763 ( 787 PWs) bands (ev): -50.1387 -50.1387 -24.6691 -24.6283 -23.9048 -23.8483 -23.7672 -23.7561 -0.4501 -0.4228 8.4198 8.4288 9.6401 9.6623 10.0699 10.0742 13.7927 13.8156 15.0816 15.1048 15.8644 15.8687 17.6705 17.7135 18.0063 18.0299 k = 0.4139 0.2390 0.4854 ( 787 PWs) bands (ev): -50.1383 -50.1383 -24.6702 -24.6288 -23.9059 -23.8481 -23.7701 -23.7582 -0.4390 -0.4114 8.4023 8.4107 9.6791 9.7026 10.0964 10.1008 13.7201 13.7426 15.0783 15.1020 15.8814 15.8842 17.6371 17.6814 17.9814 18.0053 k = 0.4111 0.2374 0.4944 ( 791 PWs) bands (ev): -50.1380 -50.1380 -24.6712 -24.6293 -23.9069 -23.8479 -23.7728 -23.7602 -0.4282 -0.4003 8.3834 8.3914 9.7202 9.7449 10.1227 10.1272 13.6494 13.6715 15.0763 15.1004 15.8972 15.8984 17.6043 17.6498 17.9554 17.9798 k = 0.4083 0.2358 0.5035 ( 791 PWs) bands (ev): -50.1376 -50.1376 -24.6721 -24.6299 -23.9079 -23.8478 -23.7754 -23.7622 -0.4178 -0.3895 8.3635 8.3710 9.7630 9.7889 10.1487 10.1533 13.5807 13.6025 15.0756 15.1001 15.9112 15.9117 17.5725 17.6192 17.9285 17.9532 k = 0.4056 0.2341 0.5126 ( 789 PWs) bands (ev): -50.1373 -50.1373 -24.6731 -24.6305 -23.9089 -23.8478 -23.7779 -23.7640 -0.4076 -0.3792 8.3427 8.3497 9.8071 9.8342 10.1742 10.1789 13.5145 13.5361 15.0763 15.1011 15.9223 15.9245 17.5418 17.5898 17.9007 17.9257 k = 0.4028 0.2325 0.5217 ( 789 PWs) bands (ev): -50.1370 -50.1370 -24.6740 -24.6311 -23.9098 -23.8478 -23.7801 -23.7657 -0.3979 -0.3692 8.3211 8.3277 9.8521 9.8802 10.1992 10.2040 13.4512 13.4724 15.0784 15.1035 15.9316 15.9354 17.5127 17.5619 17.8720 17.8974 k = 0.4000 0.2309 0.5307 ( 787 PWs) bands (ev): -50.1367 -50.1367 -24.6748 -24.6318 -23.9106 -23.8480 -23.7822 -23.7673 -0.3886 -0.3598 8.2990 8.3052 9.8975 9.9267 10.2236 10.2284 13.3910 13.4120 15.0820 15.1074 15.9387 15.9442 17.4855 17.5360 17.8425 17.8682 k = 0.3972 0.2293 0.5398 ( 788 PWs) bands (ev): -50.1364 -50.1364 -24.6756 -24.6325 -23.9113 -23.8483 -23.7840 -23.7688 -0.3798 -0.3509 8.2764 8.2823 9.9430 9.9732 10.2472 10.2521 13.3344 13.3552 15.0871 15.1128 15.9434 15.9506 17.4606 17.5122 17.8124 17.8383 k = 0.3944 0.2277 0.5489 ( 790 PWs) bands (ev): -50.1361 -50.1361 -24.6764 -24.6332 -23.9120 -23.8486 -23.7856 -23.7701 -0.3716 -0.3426 8.2536 8.2591 9.9882 10.0192 10.2700 10.2750 13.2818 13.3023 15.0937 15.1196 15.9456 15.9543 17.4384 17.4910 17.7816 17.8078 k = 0.3917 0.2261 0.5579 ( 790 PWs) bands (ev): -50.1359 -50.1359 -24.6770 -24.6339 -23.9125 -23.8491 -23.7869 -23.7713 -0.3639 -0.3349 8.2306 8.2357 10.0325 10.0644 10.2918 10.2969 13.2334 13.2538 15.1018 15.1280 15.9451 15.9553 17.4191 17.4727 17.7503 17.7767 k = 0.3889 0.2245 0.5670 ( 786 PWs) bands (ev): -50.1357 -50.1357 -24.6776 -24.6346 -23.9130 -23.8497 -23.7880 -23.7724 -0.3568 -0.3279 8.2074 8.2123 10.0756 10.1082 10.3127 10.3178 13.1898 13.2099 15.1116 15.1380 15.9418 15.9535 17.4030 17.4575 17.7186 17.7453 k = 0.3861 0.2229 0.5761 ( 784 PWs) bands (ev): -50.1355 -50.1355 -24.6782 -24.6353 -23.9134 -23.8504 -23.7888 -23.7734 -0.3503 -0.3215 8.1843 8.1889 10.1170 10.1503 10.3325 10.3377 13.1512 13.1711 15.1229 15.1495 15.9357 15.9487 17.3904 17.4457 17.6866 17.7135 k = 0.3833 0.2213 0.5852 ( 790 PWs) bands (ev): -50.1353 -50.1353 -24.6786 -24.6360 -23.9137 -23.8512 -23.7894 -23.7742 -0.3445 -0.3159 8.1612 8.1655 10.1564 10.1902 10.3511 10.3563 13.1179 13.1375 15.1357 15.1624 15.9268 15.9410 17.3814 17.4373 17.6544 17.6815 k = 0.3806 0.2197 0.5942 ( 790 PWs) bands (ev): -50.1351 -50.1351 -24.6790 -24.6367 -23.9139 -23.8520 -23.7898 -23.7749 -0.3395 -0.3110 8.1382 8.1423 10.1932 10.2275 10.3684 10.3737 13.0903 13.1095 15.1501 15.1769 15.9154 15.9305 17.3761 17.4325 17.6222 17.6496 k = 0.3778 0.2181 0.6033 ( 786 PWs) bands (ev): -50.1350 -50.1350 -24.6793 -24.6373 -23.9139 -23.8529 -23.7899 -23.7754 -0.3352 -0.3070 8.1154 8.1192 10.2272 10.2618 10.3845 10.3899 13.0686 13.0873 15.1660 15.1929 15.9016 15.9176 17.3746 17.4312 17.5902 17.6178 k = 0.3750 0.2165 0.6124 ( 786 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8538 -23.7898 -23.7758 -0.3317 -0.3037 8.0927 8.0963 10.2580 10.2929 10.3991 10.4046 13.0528 13.0710 15.1833 15.2102 15.8858 15.9025 17.3766 17.4335 17.5585 17.5864 k = 0.6250-0.0722 0.4082 ( 786 PWs) bands (ev): -50.1349 -50.1349 -24.6795 -24.6379 -23.9139 -23.8538 -23.7898 -23.7758 -0.3317 -0.3037 8.0927 8.0963 10.2580 10.2929 10.3991 10.4046 13.0528 13.0710 15.1833 15.2102 15.8858 15.9025 17.3766 17.4335 17.5585 17.5864 k = 0.6202-0.0805 0.4082 ( 786 PWs) bands (ev): -50.1347 -50.1347 -24.6797 -24.6390 -23.9137 -23.8555 -23.7894 -23.7764 -0.3266 -0.2991 8.0539 8.0571 10.3072 10.3422 10.4231 10.4287 13.0332 13.0505 15.2142 15.2412 15.8582 15.8761 17.3817 17.4392 17.5042 17.5329 k = 0.6154-0.0888 0.4082 ( 786 PWs) bands (ev): -50.1346 -50.1346 -24.6798 -24.6400 -23.9134 -23.8573 -23.7889 -23.7768 -0.3219 -0.2950 8.0154 8.0183 10.3536 10.3887 10.4468 10.4526 13.0185 13.0347 15.2450 15.2719 15.8333 15.8523 17.3832 17.4406 17.4522 17.4812 k = 0.6106-0.0972 0.4082 ( 786 PWs) bands (ev): -50.1345 -50.1345 -24.6799 -24.6411 -23.9131 -23.8590 -23.7882 -23.7771 -0.3176 -0.2914 7.9773 7.9800 10.3970 10.4322 10.4702 10.4762 13.0085 13.0236 15.2755 15.3024 15.8115 15.8316 17.3782 17.3968 17.4339 17.4434 k = 0.6058-0.1055 0.4082 ( 790 PWs) bands (ev): -50.1344 -50.1344 -24.6799 -24.6422 -23.9127 -23.8609 -23.7874 -23.7774 -0.3137 -0.2881 7.9399 7.9422 10.4374 10.4726 10.4931 10.4996 13.0027 13.0166 15.3057 15.3326 15.7930 15.8143 17.3448 17.3549 17.4026 17.4405 k = 0.6010-0.1138 0.4082 ( 782 PWs) bands (ev): -50.1343 -50.1343 -24.6798 -24.6433 -23.9123 -23.8627 -23.7865 -23.7775 -0.3101 -0.2853 7.9031 7.9052 10.4746 10.5096 10.5157 10.5227 13.0009 13.0134 15.3357 15.3624 15.7784 15.8009 17.2936 17.3119 17.3888 17.4346 k = 0.5962-0.1221 0.4082 ( 786 PWs) bands (ev): -50.1342 -50.1342 -24.6797 -24.6444 -23.9118 -23.8646 -23.7855 -23.7775 -0.3069 -0.2829 7.8672 7.8691 10.5084 10.5370 10.5444 10.5457 13.0025 13.0137 15.3652 15.3918 15.7679 15.7916 17.2433 17.2640 17.3774 17.4252 k = 0.5913-0.1305 0.4082 ( 782 PWs) bands (ev): -50.1341 -50.1341 -24.6795 -24.6455 -23.9113 -23.8665 -23.7845 -23.7774 -0.3040 -0.2809 7.8322 7.8339 10.5388 10.5584 10.5687 10.5754 13.0071 13.0169 15.3944 15.4208 15.7617 15.7867 17.1940 17.2156 17.3640 17.4125 k = 0.5865-0.1388 0.4082 ( 782 PWs) bands (ev): -50.1341 -50.1341 -24.6793 -24.6467 -23.9107 -23.8684 -23.7834 -23.7772 -0.3013 -0.2791 7.7983 7.7998 10.5658 10.5791 10.5916 10.6036 13.0142 13.0226 15.4231 15.4493 15.7602 15.7863 17.1459 17.1679 17.3477 17.3963 k = 0.5817-0.1471 0.4082 ( 782 PWs) bands (ev): -50.1340 -50.1340 -24.6790 -24.6478 -23.9101 -23.8702 -23.7823 -23.7770 -0.2989 -0.2777 7.7655 7.7669 10.5898 10.5991 10.6142 10.6290 13.0232 13.0302 15.4513 15.4772 15.7636 15.7908 17.0990 17.1211 17.3280 17.3764 k = 0.5769-0.1554 0.4082 ( 776 PWs) bands (ev): -50.1340 -50.1340 -24.6786 -24.6490 -23.9095 -23.8721 -23.7812 -23.7767 -0.2968 -0.2765 7.7340 7.7353 10.6114 10.6183 10.6358 10.6518 13.0336 13.0394 15.4790 15.5046 15.7719 15.8003 17.0535 17.0754 17.3048 17.3529 k = 0.5721-0.1638 0.4082 ( 776 PWs) bands (ev): -50.1339 -50.1339 -24.6782 -24.6502 -23.9089 -23.8739 -23.7801 -23.7763 -0.2948 -0.2756 7.7039 7.7050 10.6311 10.6367 10.6561 10.6722 13.0450 13.0495 15.5062 15.5312 15.7854 15.8148 17.0093 17.0311 17.2781 17.3257 k = 0.5673-0.1721 0.4082 ( 776 PWs) bands (ev): -50.1339 -50.1339 -24.6778 -24.6513 -23.9083 -23.8757 -23.7790 -23.7759 -0.2931 -0.2749 7.6753 7.6763 10.6494 10.6541 10.6748 10.6903 13.0569 13.0602 15.5327 15.5572 15.8039 15.8344 16.9668 16.9881 17.2478 17.2949 k = 0.5625-0.1804 0.4082 ( 776 PWs) bands (ev): -50.1339 -50.1339 -24.6773 -24.6525 -23.9076 -23.8775 -23.7780 -23.7754 -0.2915 -0.2745 7.6482 7.6491 10.6663 10.6707 10.6919 10.7063 13.0688 13.0711 15.5585 15.5824 15.8276 15.8590 16.9260 16.9468 17.2141 17.2605 k = 0.5577-0.1887 0.4082 ( 776 PWs) bands (ev): -50.1339 -50.1339 -24.6767 -24.6537 -23.9069 -23.8792 -23.7770 -23.7749 -0.2900 -0.2742 7.6228 7.6235 10.6820 10.6862 10.7074 10.7205 13.0805 13.0818 15.5836 15.6066 15.8562 15.8886 16.8870 16.9071 17.1769 17.2227 k = 0.5529-0.1971 0.4082 ( 778 PWs) bands (ev): -50.1339 -50.1339 -24.6761 -24.6549 -23.9062 -23.8809 -23.7760 -23.7744 -0.2887 -0.2740 7.5991 7.5997 10.6964 10.7007 10.7213 10.7329 13.0916 13.0922 15.6077 15.6299 15.8896 15.9228 16.8500 16.8693 17.1364 17.1815 k = 0.5481-0.2054 0.4082 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6755 -24.6560 -23.9054 -23.8826 -23.7751 -23.7739 -0.2875 -0.2740 7.5772 7.5778 10.7097 10.7140 10.7338 10.7438 13.1019 13.1019 15.6309 15.6520 15.9276 15.9615 16.8153 16.8335 17.0928 17.1371 k = 0.5433-0.2137 0.4082 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6748 -24.6572 -23.9047 -23.8842 -23.7742 -23.7734 -0.2863 -0.2742 7.5572 7.5577 10.7216 10.7261 10.7449 10.7534 13.1108 13.1113 15.6529 15.6728 15.9698 16.0044 16.7829 16.7999 17.0463 17.0898 k = 0.5385-0.2221 0.4082 ( 778 PWs) bands (ev): -50.1338 -50.1338 -24.6741 -24.6584 -23.9039 -23.8857 -23.7735 -23.7729 -0.2853 -0.2744 7.5391 7.5395 10.7323 10.7370 10.7548 10.7617 13.1189 13.1197 15.6737 15.6922 16.0159 16.0510 16.7531 16.7686 16.9972 17.0397 k = 0.5337-0.2304 0.4082 ( 786 PWs) bands (ev): -50.1339 -50.1339 -24.6734 -24.6595 -23.9030 -23.8872 -23.7728 -23.7724 -0.2844 -0.2748 7.5230 7.5234 10.7417 10.7465 10.7636 10.7688 13.1260 13.1270 15.6929 15.7098 16.0652 16.1008 16.7261 16.7399 16.9457 16.9871 k = 0.5288-0.2387 0.4082 ( 786 PWs) bands (ev): -50.1339 -50.1339 -24.6726 -24.6606 -23.9022 -23.8886 -23.7722 -23.7719 -0.2834 -0.2752 7.5090 7.5093 10.7499 10.7547 10.7711 10.7750 13.1321 13.1332 15.7105 15.7255 16.1173 16.1532 16.7023 16.7140 16.8925 16.9326 k = 0.5240-0.2470 0.4082 ( 788 PWs) bands (ev): -50.1339 -50.1339 -24.6717 -24.6618 -23.9013 -23.8900 -23.7717 -23.7716 -0.2826 -0.2757 7.4970 7.4973 10.7568 10.7613 10.7776 10.7802 13.1373 13.1384 15.7261 15.7391 16.1715 16.2074 16.6818 16.6911 16.8382 16.8766 k = 0.5192-0.2554 0.4082 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6709 -24.6629 -23.9004 -23.8914 -23.7713 -23.7712 -0.2818 -0.2762 7.4872 7.4874 10.7626 10.7666 10.7829 10.7846 13.1415 13.1425 15.7396 15.7503 16.2269 16.2623 16.6650 16.6713 16.7838 16.8198 k = 0.5144-0.2637 0.4082 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6700 -24.6640 -23.8994 -23.8927 -23.7710 -23.7709 -0.2810 -0.2768 7.4795 7.4797 10.7671 10.7704 10.7870 10.7880 13.1448 13.1456 15.7507 15.7590 16.2820 16.3159 16.6521 16.6547 16.7316 16.7635 k = 0.5096-0.2720 0.4082 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6690 -24.6650 -23.8984 -23.8939 -23.7708 -23.7707 -0.2802 -0.2774 7.4740 7.4741 10.7705 10.7728 10.7900 10.7906 13.1471 13.1477 15.7593 15.7649 16.3344 16.3643 16.6406 16.6433 16.6859 16.7099 k = 0.5048-0.2803 0.4082 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6681 -24.6661 -23.8973 -23.8951 -23.7706 -23.7706 -0.2795 -0.2781 7.4707 7.4708 10.7728 10.7740 10.7919 10.7921 13.1486 13.1489 15.7651 15.7680 16.3791 16.3988 16.6292 16.6385 16.6556 16.6644 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -50.1339 -50.1339 -24.6671 -24.6671 -23.8963 -23.8963 -23.7706 -23.7706 -0.2788 -0.2788 7.4696 7.4696 10.7740 10.7740 10.7926 10.7926 13.1492 13.1492 15.7680 15.7680 16.4050 16.4050 16.6304 16.6304 16.6452 16.6452 Writing output data file VN.save init_run : 2.58s CPU 13.14s WALL ( 1 calls) electrons : 128.97s CPU 132.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.42s WALL ( 1 calls) Called by electrons: c_bands : 128.94s CPU 132.42s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.92s WALL ( 1 calls) v_h : 0.03s CPU 0.16s WALL ( 1 calls) v_xc : 0.04s CPU 0.55s WALL ( 1 calls) newd : 0.28s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 477 calls) cegterg : 109.39s CPU 110.33s WALL ( 543 calls) Called by sum_band: Called by *egterg: h_psi : 57.13s CPU 60.99s WALL ( 8628 calls) s_psi : 3.04s CPU 3.92s WALL ( 8628 calls) g_psi : 0.03s CPU 0.08s WALL ( 7608 calls) cdiaghg : 35.07s CPU 34.13s WALL ( 8085 calls) cegterg:over : 11.09s CPU 9.01s WALL ( 7608 calls) cegterg:upda : 0.16s CPU 0.83s WALL ( 7608 calls) cegterg:last : 0.18s CPU 0.69s WALL ( 1979 calls) Called by h_psi: h_psi:vloc : 48.52s CPU 52.59s WALL ( 8628 calls) h_psi:vnl : 8.60s CPU 8.29s WALL ( 8628 calls) add_vuspsi : 0.87s CPU 2.53s WALL ( 8628 calls) General routines calbec : 7.71s CPU 5.68s WALL ( 8628 calls) fft : 0.44s CPU 1.16s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 46.65s CPU 49.96s WALL ( 650028 calls) interpolate : 0.07s CPU 0.10s WALL ( 4 calls) davcio : 0.02s CPU 0.51s WALL ( 954 calls) Parallel routines fft_scatter : 35.76s CPU 36.85s WALL ( 650051 calls) PWSCF : 2m39.16s CPU 4m 5.91s WALL This run was terminated on: 20:36:18 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=