Program PWSCF v.5.1.1 starts on 27Aug2015 at 2:46:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./AlN.save/ 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 15 8 2 285 110 18 Max 16 9 3 291 127 23 Sum 757 421 127 13851 5673 965 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.8724 a.u. unit-cell volume = 143.1938 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.872365 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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 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 atomic species valence mass pseudopotential Al 3.00 26.98150 Al( 1.00) N 5.00 14.00670 N( 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= 473 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 2) = ( 0.0069444 -0.0040094 0.0056701), wk = 0.0021142 k( 3) = ( 0.0138889 -0.0080188 0.0113402), wk = 0.0021142 k( 4) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0021142 k( 5) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0021142 k( 6) = ( 0.0347222 -0.0200469 0.0283506), wk = 0.0021142 k( 7) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0021142 k( 8) = ( 0.0486111 -0.0280656 0.0396908), wk = 0.0021142 k( 9) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0021142 k( 10) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0021142 k( 11) = ( 0.0694444 -0.0400938 0.0567011), wk = 0.0021142 k( 12) = ( 0.0763889 -0.0441031 0.0623713), wk = 0.0021142 k( 13) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0021142 k( 14) = ( 0.0902778 -0.0521219 0.0737115), wk = 0.0021142 k( 15) = ( 0.0972222 -0.0561313 0.0793816), wk = 0.0021142 k( 16) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0021142 k( 17) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0021142 k( 18) = ( 0.1180556 -0.0681594 0.0963920), wk = 0.0021142 k( 19) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0021142 k( 20) = ( 0.1319444 -0.0761782 0.1077322), wk = 0.0021142 k( 21) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0021142 k( 22) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0021142 k( 23) = ( 0.1527778 -0.0882063 0.1247425), wk = 0.0021142 k( 24) = ( 0.1597222 -0.0922157 0.1304126), wk = 0.0021142 k( 25) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0021142 k( 26) = ( 0.1736111 -0.1002344 0.1417529), wk = 0.0021142 k( 27) = ( 0.1805556 -0.1042438 0.1474230), wk = 0.0021142 k( 28) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0021142 k( 29) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0021142 k( 30) = ( 0.2013889 -0.1162719 0.1644333), wk = 0.0021142 k( 31) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0021142 k( 32) = ( 0.2152778 -0.1242907 0.1757736), wk = 0.0021142 k( 33) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0021142 k( 34) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0021142 k( 35) = ( 0.2361111 -0.1363188 0.1927839), wk = 0.0021142 k( 36) = ( 0.2430556 -0.1403282 0.1984540), wk = 0.0021142 k( 37) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0021142 k( 38) = ( 0.2569444 -0.1483469 0.2097943), wk = 0.0021142 k( 39) = ( 0.2638889 -0.1523563 0.2154644), wk = 0.0021142 k( 40) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0021142 k( 41) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0021142 k( 42) = ( 0.2847222 -0.1643845 0.2324747), wk = 0.0021142 k( 43) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0021142 k( 44) = ( 0.2986111 -0.1724032 0.2438150), wk = 0.0021142 k( 45) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0021142 k( 46) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0021142 k( 47) = ( 0.3194444 -0.1844313 0.2608253), wk = 0.0021142 k( 48) = ( 0.3263889 -0.1884407 0.2664954), wk = 0.0021142 k( 49) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0021142 k( 50) = ( 0.3402778 -0.1964595 0.2778356), wk = 0.0021142 k( 51) = ( 0.3472222 -0.2004688 0.2835058), wk = 0.0021142 k( 52) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0021142 k( 53) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0021142 k( 54) = ( 0.3680556 -0.2124970 0.3005161), wk = 0.0021142 k( 55) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0021142 k( 56) = ( 0.3819444 -0.2205157 0.3118563), wk = 0.0021142 k( 57) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0021142 k( 58) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0021142 k( 59) = ( 0.4027778 -0.2325439 0.3288667), wk = 0.0021142 k( 60) = ( 0.4097222 -0.2365532 0.3345368), wk = 0.0021142 k( 61) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0021142 k( 62) = ( 0.4236111 -0.2445720 0.3458770), wk = 0.0021142 k( 63) = ( 0.4305556 -0.2485814 0.3515471), wk = 0.0021142 k( 64) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0021142 k( 65) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0021142 k( 66) = ( 0.4513889 -0.2606095 0.3685575), wk = 0.0021142 k( 67) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0021142 k( 68) = ( 0.4652778 -0.2686283 0.3798977), wk = 0.0021142 k( 69) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0021142 k( 70) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0021142 k( 71) = ( 0.4861111 -0.2806564 0.3969081), wk = 0.0021142 k( 72) = ( 0.4930556 -0.2846658 0.4025782), wk = 0.0021142 k( 73) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021142 k( 74) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021142 k( 75) = ( 0.5000000 -0.2806564 0.4139184), wk = 0.0021142 k( 76) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0021142 k( 77) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0021142 k( 78) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0021142 k( 79) = ( 0.5000000 -0.2485814 0.4365989), wk = 0.0021142 k( 80) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0021142 k( 81) = ( 0.5000000 -0.2325439 0.4479391), wk = 0.0021142 k( 82) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0021142 k( 83) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0021142 k( 84) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0021142 k( 85) = ( 0.5000000 -0.2004688 0.4706196), wk = 0.0021142 k( 86) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0021142 k( 87) = ( 0.5000000 -0.1844313 0.4819598), wk = 0.0021142 k( 88) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0021142 k( 89) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0021142 k( 90) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0021142 k( 91) = ( 0.5000000 -0.1523563 0.5046403), wk = 0.0021142 k( 92) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0021142 k( 93) = ( 0.5000000 -0.1363188 0.5159805), wk = 0.0021142 k( 94) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0021142 k( 95) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0021142 k( 96) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0021142 k( 97) = ( 0.5000000 -0.1042438 0.5386609), wk = 0.0021142 k( 98) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0021142 k( 99) = ( 0.5000000 -0.0882063 0.5500012), wk = 0.0021142 k( 100) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0021142 k( 101) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0021142 k( 102) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0021142 k( 103) = ( 0.5000000 -0.0561313 0.5726816), wk = 0.0021142 k( 104) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0021142 k( 105) = ( 0.5000000 -0.0400938 0.5840219), wk = 0.0021142 k( 106) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0021142 k( 107) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0021142 k( 108) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0021142 k( 109) = ( 0.5000000 -0.0080187 0.6067023), wk = 0.0021142 k( 110) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021142 k( 111) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021142 k( 112) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0021142 k( 113) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0021142 k( 114) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0021142 k( 115) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0021142 k( 116) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0021142 k( 117) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0021142 k( 118) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0021142 k( 119) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0021142 k( 120) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0021142 k( 121) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0021142 k( 122) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0021142 k( 123) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0021142 k( 124) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0021142 k( 125) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0021142 k( 126) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0021142 k( 127) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0021142 k( 128) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0021142 k( 129) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0021142 k( 130) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0021142 k( 131) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0021142 k( 132) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0021142 k( 133) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0021142 k( 134) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0021142 k( 135) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0021142 k( 136) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0021142 k( 137) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021142 k( 138) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021142 k( 139) = ( 0.3700658 0.2136576 0.6043149), wk = 0.0021142 k( 140) = ( 0.3651316 0.2108088 0.5962574), wk = 0.0021142 k( 141) = ( 0.3601974 0.2079600 0.5881998), wk = 0.0021142 k( 142) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0021142 k( 143) = ( 0.3503289 0.2022625 0.5720848), wk = 0.0021142 k( 144) = ( 0.3453947 0.1994137 0.5640272), wk = 0.0021142 k( 145) = ( 0.3404605 0.1965650 0.5559697), wk = 0.0021142 k( 146) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0021142 k( 147) = ( 0.3305921 0.1908674 0.5398546), wk = 0.0021142 k( 148) = ( 0.3256579 0.1880187 0.5317971), wk = 0.0021142 k( 149) = ( 0.3207237 0.1851699 0.5237396), wk = 0.0021142 k( 150) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0021142 k( 151) = ( 0.3108553 0.1794724 0.5076245), wk = 0.0021142 k( 152) = ( 0.3059211 0.1766236 0.4995670), wk = 0.0021142 k( 153) = ( 0.3009868 0.1737748 0.4915095), wk = 0.0021142 k( 154) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0021142 k( 155) = ( 0.2911184 0.1680773 0.4753944), wk = 0.0021142 k( 156) = ( 0.2861842 0.1652285 0.4673369), wk = 0.0021142 k( 157) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0021142 k( 158) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0021142 k( 159) = ( 0.2713816 0.1566822 0.4431643), wk = 0.0021142 k( 160) = ( 0.2664474 0.1538335 0.4351067), wk = 0.0021142 k( 161) = ( 0.2615132 0.1509847 0.4270492), wk = 0.0021142 k( 162) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0021142 k( 163) = ( 0.2516447 0.1452872 0.4109341), wk = 0.0021142 k( 164) = ( 0.2467105 0.1424384 0.4028766), wk = 0.0021142 k( 165) = ( 0.2417763 0.1395896 0.3948191), wk = 0.0021142 k( 166) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0021142 k( 167) = ( 0.2319079 0.1338921 0.3787040), wk = 0.0021142 k( 168) = ( 0.2269737 0.1310433 0.3706465), wk = 0.0021142 k( 169) = ( 0.2220395 0.1281945 0.3625889), wk = 0.0021142 k( 170) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0021142 k( 171) = ( 0.2121710 0.1224970 0.3464739), wk = 0.0021142 k( 172) = ( 0.2072368 0.1196482 0.3384163), wk = 0.0021142 k( 173) = ( 0.2023026 0.1167995 0.3303588), wk = 0.0021142 k( 174) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0021142 k( 175) = ( 0.1924342 0.1111019 0.3142437), wk = 0.0021142 k( 176) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0021142 k( 177) = ( 0.1825658 0.1054044 0.2981287), wk = 0.0021142 k( 178) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0021142 k( 179) = ( 0.1726974 0.0997069 0.2820136), wk = 0.0021142 k( 180) = ( 0.1677632 0.0968581 0.2739561), wk = 0.0021142 k( 181) = ( 0.1628290 0.0940093 0.2658985), wk = 0.0021142 k( 182) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0021142 k( 183) = ( 0.1529605 0.0883118 0.2497835), wk = 0.0021142 k( 184) = ( 0.1480263 0.0854630 0.2417260), wk = 0.0021142 k( 185) = ( 0.1430921 0.0826143 0.2336684), wk = 0.0021142 k( 186) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0021142 k( 187) = ( 0.1332237 0.0769167 0.2175534), wk = 0.0021142 k( 188) = ( 0.1282895 0.0740680 0.2094958), wk = 0.0021142 k( 189) = ( 0.1233553 0.0712192 0.2014383), wk = 0.0021142 k( 190) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0021142 k( 191) = ( 0.1134868 0.0655217 0.1853232), wk = 0.0021142 k( 192) = ( 0.1085526 0.0626729 0.1772657), wk = 0.0021142 k( 193) = ( 0.1036184 0.0598241 0.1692082), wk = 0.0021142 k( 194) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0021142 k( 195) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0021142 k( 196) = ( 0.0888158 0.0512778 0.1450356), wk = 0.0021142 k( 197) = ( 0.0838816 0.0484291 0.1369780), wk = 0.0021142 k( 198) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0021142 k( 199) = ( 0.0740132 0.0427315 0.1208630), wk = 0.0021142 k( 200) = ( 0.0690790 0.0398828 0.1128054), wk = 0.0021142 k( 201) = ( 0.0641447 0.0370340 0.1047479), wk = 0.0021142 k( 202) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0021142 k( 203) = ( 0.0542763 0.0313364 0.0886328), wk = 0.0021142 k( 204) = ( 0.0493421 0.0284877 0.0805753), wk = 0.0021142 k( 205) = ( 0.0444079 0.0256389 0.0725178), wk = 0.0021142 k( 206) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0021142 k( 207) = ( 0.0345395 0.0199414 0.0564027), wk = 0.0021142 k( 208) = ( 0.0296053 0.0170926 0.0483452), wk = 0.0021142 k( 209) = ( 0.0246710 0.0142438 0.0402877), wk = 0.0021142 k( 210) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0021142 k( 211) = ( 0.0148026 0.0085463 0.0241726), wk = 0.0021142 k( 212) = ( 0.0098684 0.0056975 0.0161151), wk = 0.0021142 k( 213) = ( 0.0049342 0.0028488 0.0080575), wk = 0.0021142 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 216) = ( 0.0080645 0.0046561 0.0032923), wk = 0.0021142 k( 217) = ( 0.0161290 0.0093121 0.0065846), wk = 0.0021142 k( 218) = ( 0.0241936 0.0139682 0.0098770), wk = 0.0021142 k( 219) = ( 0.0322581 0.0186242 0.0131693), wk = 0.0021142 k( 220) = ( 0.0403226 0.0232803 0.0164616), wk = 0.0021142 k( 221) = ( 0.0483871 0.0279363 0.0197540), wk = 0.0021142 k( 222) = ( 0.0564516 0.0325924 0.0230463), wk = 0.0021142 k( 223) = ( 0.0645161 0.0372484 0.0263386), wk = 0.0021142 k( 224) = ( 0.0725806 0.0419045 0.0296309), wk = 0.0021142 k( 225) = ( 0.0806452 0.0465605 0.0329232), wk = 0.0021142 k( 226) = ( 0.0887097 0.0512166 0.0362156), wk = 0.0021142 k( 227) = ( 0.0967742 0.0558726 0.0395079), wk = 0.0021142 k( 228) = ( 0.1048387 0.0605287 0.0428002), wk = 0.0021142 k( 229) = ( 0.1129032 0.0651847 0.0460926), wk = 0.0021142 k( 230) = ( 0.1209677 0.0698408 0.0493849), wk = 0.0021142 k( 231) = ( 0.1290323 0.0744968 0.0526772), wk = 0.0021142 k( 232) = ( 0.1370968 0.0791529 0.0559695), wk = 0.0021142 k( 233) = ( 0.1451613 0.0838089 0.0592618), wk = 0.0021142 k( 234) = ( 0.1532258 0.0884650 0.0625542), wk = 0.0021142 k( 235) = ( 0.1612903 0.0931210 0.0658465), wk = 0.0021142 k( 236) = ( 0.1693548 0.0977771 0.0691388), wk = 0.0021142 k( 237) = ( 0.1774194 0.1024331 0.0724311), wk = 0.0021142 k( 238) = ( 0.1854839 0.1070892 0.0757235), wk = 0.0021142 k( 239) = ( 0.1935484 0.1117452 0.0790158), wk = 0.0021142 k( 240) = ( 0.2016129 0.1164013 0.0823081), wk = 0.0021142 k( 241) = ( 0.2096774 0.1210573 0.0856004), wk = 0.0021142 k( 242) = ( 0.2177419 0.1257134 0.0888928), wk = 0.0021142 k( 243) = ( 0.2258064 0.1303694 0.0921851), wk = 0.0021142 k( 244) = ( 0.2338710 0.1350255 0.0954774), wk = 0.0021142 k( 245) = ( 0.2419355 0.1396815 0.0987697), wk = 0.0021142 k( 246) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0021142 k( 247) = ( 0.2580645 0.1489936 0.1053544), wk = 0.0021142 k( 248) = ( 0.2661290 0.1536497 0.1086467), wk = 0.0021142 k( 249) = ( 0.2741936 0.1583057 0.1119390), wk = 0.0021142 k( 250) = ( 0.2822581 0.1629618 0.1152314), wk = 0.0021142 k( 251) = ( 0.2903226 0.1676178 0.1185237), wk = 0.0021142 k( 252) = ( 0.2983871 0.1722739 0.1218160), wk = 0.0021142 k( 253) = ( 0.3064516 0.1769299 0.1251083), wk = 0.0021142 k( 254) = ( 0.3145161 0.1815860 0.1284007), wk = 0.0021142 k( 255) = ( 0.3225807 0.1862420 0.1316930), wk = 0.0021142 k( 256) = ( 0.3306452 0.1908981 0.1349853), wk = 0.0021142 k( 257) = ( 0.3387097 0.1955541 0.1382776), wk = 0.0021142 k( 258) = ( 0.3467742 0.2002102 0.1415700), wk = 0.0021142 k( 259) = ( 0.3548387 0.2048662 0.1448623), wk = 0.0021142 k( 260) = ( 0.3629032 0.2095223 0.1481546), wk = 0.0021142 k( 261) = ( 0.3709677 0.2141783 0.1514469), wk = 0.0021142 k( 262) = ( 0.3790323 0.2188344 0.1547393), wk = 0.0021142 k( 263) = ( 0.3870968 0.2234904 0.1580316), wk = 0.0021142 k( 264) = ( 0.3951613 0.2281465 0.1613239), wk = 0.0021142 k( 265) = ( 0.4032258 0.2328025 0.1646162), wk = 0.0021142 k( 266) = ( 0.4112903 0.2374586 0.1679086), wk = 0.0021142 k( 267) = ( 0.4193548 0.2421146 0.1712009), wk = 0.0021142 k( 268) = ( 0.4274193 0.2467707 0.1744932), wk = 0.0021142 k( 269) = ( 0.4354839 0.2514267 0.1777855), wk = 0.0021142 k( 270) = ( 0.4435484 0.2560828 0.1810779), wk = 0.0021142 k( 271) = ( 0.4516129 0.2607388 0.1843702), wk = 0.0021142 k( 272) = ( 0.4596774 0.2653949 0.1876625), wk = 0.0021142 k( 273) = ( 0.4677419 0.2700509 0.1909548), wk = 0.0021142 k( 274) = ( 0.4758064 0.2747070 0.1942472), wk = 0.0021142 k( 275) = ( 0.4838710 0.2793630 0.1975395), wk = 0.0021142 k( 276) = ( 0.4919355 0.2840191 0.2008318), wk = 0.0021142 k( 277) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021142 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021142 k( 279) = ( 0.5028409 0.2804741 0.2087633), wk = 0.0021142 k( 280) = ( 0.5056818 0.2722731 0.2134025), wk = 0.0021142 k( 281) = ( 0.5085227 0.2640721 0.2180417), wk = 0.0021142 k( 282) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0021142 k( 283) = ( 0.5142045 0.2476701 0.2273201), wk = 0.0021142 k( 284) = ( 0.5170455 0.2394691 0.2319593), wk = 0.0021142 k( 285) = ( 0.5198864 0.2312681 0.2365984), wk = 0.0021142 k( 286) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0021142 k( 287) = ( 0.5255682 0.2148662 0.2458768), wk = 0.0021142 k( 288) = ( 0.5284091 0.2066652 0.2505160), wk = 0.0021142 k( 289) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0021142 k( 290) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0021142 k( 291) = ( 0.5369318 0.1820622 0.2644336), wk = 0.0021142 k( 292) = ( 0.5397727 0.1738612 0.2690727), wk = 0.0021142 k( 293) = ( 0.5426136 0.1656602 0.2737119), wk = 0.0021142 k( 294) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0021142 k( 295) = ( 0.5482955 0.1492582 0.2829903), wk = 0.0021142 k( 296) = ( 0.5511364 0.1410572 0.2876295), wk = 0.0021142 k( 297) = ( 0.5539773 0.1328562 0.2922687), wk = 0.0021142 k( 298) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0021142 k( 299) = ( 0.5596591 0.1164542 0.3015470), wk = 0.0021142 k( 300) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0021142 k( 301) = ( 0.5653409 0.1000522 0.3108254), wk = 0.0021142 k( 302) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0021142 k( 303) = ( 0.5710227 0.0836502 0.3201038), wk = 0.0021142 k( 304) = ( 0.5738636 0.0754492 0.3247430), wk = 0.0021142 k( 305) = ( 0.5767045 0.0672482 0.3293821), wk = 0.0021142 k( 306) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0021142 k( 307) = ( 0.5823864 0.0508462 0.3386605), wk = 0.0021142 k( 308) = ( 0.5852273 0.0426452 0.3432997), wk = 0.0021142 k( 309) = ( 0.5880682 0.0344442 0.3479389), wk = 0.0021142 k( 310) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0021142 k( 311) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0021142 k( 312) = ( 0.5965909 0.0098412 0.3618564), wk = 0.0021142 k( 313) = ( 0.5994318 0.0016402 0.3664956), wk = 0.0021142 k( 314) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0021142 k( 315) = ( 0.6051136 -0.0147618 0.3757740), wk = 0.0021142 k( 316) = ( 0.6079545 -0.0229628 0.3804132), wk = 0.0021142 k( 317) = ( 0.6107955 -0.0311638 0.3850524), wk = 0.0021142 k( 318) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0021142 k( 319) = ( 0.6164773 -0.0475658 0.3943307), wk = 0.0021142 k( 320) = ( 0.6193182 -0.0557668 0.3989699), wk = 0.0021142 k( 321) = ( 0.6221591 -0.0639678 0.4036091), wk = 0.0021142 k( 322) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021142 k( 323) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021142 k( 324) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0021142 k( 325) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0021142 k( 326) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0021142 k( 327) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0021142 k( 328) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0021142 k( 329) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0021142 k( 330) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0021142 k( 331) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0021142 k( 332) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0021142 k( 333) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0021142 k( 334) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0021142 k( 335) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0021142 k( 336) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0021142 k( 337) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0021142 k( 338) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0021142 k( 339) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0021142 k( 340) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0021142 k( 341) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0021142 k( 342) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0021142 k( 343) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0021142 k( 344) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0021142 k( 345) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0021142 k( 346) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0021142 k( 347) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0021142 k( 348) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0021142 k( 349) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021142 k( 350) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021142 k( 351) = ( 0.5000000 0.0056603 0.6043676), wk = 0.0021142 k( 352) = ( 0.5000000 0.0113206 0.5963627), wk = 0.0021142 k( 353) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0021142 k( 354) = ( 0.5000000 0.0226412 0.5803530), wk = 0.0021142 k( 355) = ( 0.5000000 0.0283015 0.5723481), wk = 0.0021142 k( 356) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0021142 k( 357) = ( 0.5000000 0.0396221 0.5563383), wk = 0.0021142 k( 358) = ( 0.5000000 0.0452824 0.5483335), wk = 0.0021142 k( 359) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0021142 k( 360) = ( 0.5000000 0.0566030 0.5323237), wk = 0.0021142 k( 361) = ( 0.5000000 0.0622633 0.5243189), wk = 0.0021142 k( 362) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0021142 k( 363) = ( 0.5000000 0.0735839 0.5083091), wk = 0.0021142 k( 364) = ( 0.5000000 0.0792442 0.5003043), wk = 0.0021142 k( 365) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0021142 k( 366) = ( 0.5000000 0.0905647 0.4842945), wk = 0.0021142 k( 367) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0021142 k( 368) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0021142 k( 369) = ( 0.5000000 0.1075456 0.4602799), wk = 0.0021142 k( 370) = ( 0.5000000 0.1132059 0.4522751), wk = 0.0021142 k( 371) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0021142 k( 372) = ( 0.5000000 0.1245265 0.4362653), wk = 0.0021142 k( 373) = ( 0.5000000 0.1301868 0.4282605), wk = 0.0021142 k( 374) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0021142 k( 375) = ( 0.5000000 0.1415074 0.4122507), wk = 0.0021142 k( 376) = ( 0.5000000 0.1471677 0.4042459), wk = 0.0021142 k( 377) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0021142 k( 378) = ( 0.5000000 0.1584883 0.3882361), wk = 0.0021142 k( 379) = ( 0.5000000 0.1641486 0.3802313), wk = 0.0021142 k( 380) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0021142 k( 381) = ( 0.5000000 0.1754692 0.3642215), wk = 0.0021142 k( 382) = ( 0.5000000 0.1811295 0.3562166), wk = 0.0021142 k( 383) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0021142 k( 384) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0021142 k( 385) = ( 0.5000000 0.1981104 0.3322020), wk = 0.0021142 k( 386) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0021142 k( 387) = ( 0.5000000 0.2094310 0.3161923), wk = 0.0021142 k( 388) = ( 0.5000000 0.2150913 0.3081874), wk = 0.0021142 k( 389) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0021142 k( 390) = ( 0.5000000 0.2264119 0.2921777), wk = 0.0021142 k( 391) = ( 0.5000000 0.2320722 0.2841728), wk = 0.0021142 k( 392) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0021142 k( 393) = ( 0.5000000 0.2433928 0.2681631), wk = 0.0021142 k( 394) = ( 0.5000000 0.2490531 0.2601582), wk = 0.0021142 k( 395) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0021142 k( 396) = ( 0.5000000 0.2603737 0.2441485), wk = 0.0021142 k( 397) = ( 0.5000000 0.2660340 0.2361436), wk = 0.0021142 k( 398) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0021142 k( 399) = ( 0.5000000 0.2773545 0.2201339), wk = 0.0021142 k( 400) = ( 0.5000000 0.2830148 0.2121290), wk = 0.0021142 k( 401) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021142 k( 402) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021142 k( 403) = ( 0.4971591 0.2870349 0.2134025), wk = 0.0021142 k( 404) = ( 0.4943182 0.2853947 0.2226809), wk = 0.0021142 k( 405) = ( 0.4914773 0.2837545 0.2319593), wk = 0.0021142 k( 406) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0021142 k( 407) = ( 0.4857955 0.2804741 0.2505160), wk = 0.0021142 k( 408) = ( 0.4829545 0.2788339 0.2597944), wk = 0.0021142 k( 409) = ( 0.4801136 0.2771937 0.2690727), wk = 0.0021142 k( 410) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0021142 k( 411) = ( 0.4744318 0.2739133 0.2876295), wk = 0.0021142 k( 412) = ( 0.4715909 0.2722731 0.2969078), wk = 0.0021142 k( 413) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0021142 k( 414) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0021142 k( 415) = ( 0.4630682 0.2673525 0.3247430), wk = 0.0021142 k( 416) = ( 0.4602273 0.2657123 0.3340213), wk = 0.0021142 k( 417) = ( 0.4573864 0.2640721 0.3432997), wk = 0.0021142 k( 418) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0021142 k( 419) = ( 0.4517045 0.2607917 0.3618564), wk = 0.0021142 k( 420) = ( 0.4488636 0.2591515 0.3711348), wk = 0.0021142 k( 421) = ( 0.4460227 0.2575113 0.3804132), wk = 0.0021142 k( 422) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0021142 k( 423) = ( 0.4403409 0.2542309 0.3989699), wk = 0.0021142 k( 424) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0021142 k( 425) = ( 0.4346591 0.2509505 0.4175267), wk = 0.0021142 k( 426) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0021142 k( 427) = ( 0.4289773 0.2476701 0.4360834), wk = 0.0021142 k( 428) = ( 0.4261364 0.2460299 0.4453618), wk = 0.0021142 k( 429) = ( 0.4232955 0.2443897 0.4546401), wk = 0.0021142 k( 430) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0021142 k( 431) = ( 0.4176136 0.2411093 0.4731969), wk = 0.0021142 k( 432) = ( 0.4147727 0.2394691 0.4824753), wk = 0.0021142 k( 433) = ( 0.4119318 0.2378289 0.4917536), wk = 0.0021142 k( 434) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0021142 k( 435) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0021142 k( 436) = ( 0.4034091 0.2329083 0.5195887), wk = 0.0021142 k( 437) = ( 0.4005682 0.2312681 0.5288671), wk = 0.0021142 k( 438) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0021142 k( 439) = ( 0.3948864 0.2279877 0.5474238), wk = 0.0021142 k( 440) = ( 0.3920455 0.2263475 0.5567022), wk = 0.0021142 k( 441) = ( 0.3892045 0.2247074 0.5659806), wk = 0.0021142 k( 442) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0021142 k( 443) = ( 0.3835227 0.2214270 0.5845373), wk = 0.0021142 k( 444) = ( 0.3806818 0.2197868 0.5938157), wk = 0.0021142 k( 445) = ( 0.3778409 0.2181466 0.6030941), wk = 0.0021142 k( 446) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021142 k( 447) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021142 k( 448) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0021142 k( 449) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0021142 k( 450) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0021142 k( 451) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0021142 k( 452) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0021142 k( 453) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0021142 k( 454) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0021142 k( 455) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0021142 k( 456) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0021142 k( 457) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0021142 k( 458) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0021142 k( 459) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0021142 k( 460) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0021142 k( 461) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0021142 k( 462) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0021142 k( 463) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0021142 k( 464) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0021142 k( 465) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0021142 k( 466) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0021142 k( 467) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0021142 k( 468) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0021142 k( 469) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0021142 k( 470) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0021142 k( 471) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0021142 k( 472) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0021142 k( 473) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021142 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 2) = ( 0.0069444 -0.0000000 0.0069444), wk = 0.0021142 k( 3) = ( 0.0138889 -0.0000000 0.0138889), wk = 0.0021142 k( 4) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0021142 k( 5) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0021142 k( 6) = ( 0.0347222 -0.0000000 0.0347222), wk = 0.0021142 k( 7) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0021142 k( 8) = ( 0.0486111 0.0000000 0.0486111), wk = 0.0021142 k( 9) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0021142 k( 10) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0021142 k( 11) = ( 0.0694444 -0.0000000 0.0694444), wk = 0.0021142 k( 12) = ( 0.0763889 0.0000000 0.0763889), wk = 0.0021142 k( 13) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0021142 k( 14) = ( 0.0902778 -0.0000000 0.0902778), wk = 0.0021142 k( 15) = ( 0.0972222 0.0000000 0.0972222), wk = 0.0021142 k( 16) = ( 0.1041667 0.0000000 0.1041667), wk = 0.0021142 k( 17) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0021142 k( 18) = ( 0.1180556 -0.0000000 0.1180556), wk = 0.0021142 k( 19) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0021142 k( 20) = ( 0.1319444 0.0000000 0.1319444), wk = 0.0021142 k( 21) = ( 0.1388889 -0.0000000 0.1388889), wk = 0.0021142 k( 22) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0021142 k( 23) = ( 0.1527778 0.0000000 0.1527778), wk = 0.0021142 k( 24) = ( 0.1597222 -0.0000000 0.1597222), wk = 0.0021142 k( 25) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0021142 k( 26) = ( 0.1736111 0.0000000 0.1736111), wk = 0.0021142 k( 27) = ( 0.1805556 -0.0000000 0.1805556), wk = 0.0021142 k( 28) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0021142 k( 29) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0021142 k( 30) = ( 0.2013889 0.0000000 0.2013889), wk = 0.0021142 k( 31) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0021142 k( 32) = ( 0.2152778 0.0000000 0.2152778), wk = 0.0021142 k( 33) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0021142 k( 34) = ( 0.2291667 0.0000000 0.2291667), wk = 0.0021142 k( 35) = ( 0.2361111 0.0000000 0.2361111), wk = 0.0021142 k( 36) = ( 0.2430556 -0.0000000 0.2430556), wk = 0.0021142 k( 37) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0021142 k( 38) = ( 0.2569444 0.0000000 0.2569444), wk = 0.0021142 k( 39) = ( 0.2638889 0.0000000 0.2638889), wk = 0.0021142 k( 40) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0021142 k( 41) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0021142 k( 42) = ( 0.2847222 0.0000000 0.2847222), wk = 0.0021142 k( 43) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0021142 k( 44) = ( 0.2986111 -0.0000000 0.2986111), wk = 0.0021142 k( 45) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0021142 k( 46) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0021142 k( 47) = ( 0.3194444 -0.0000000 0.3194444), wk = 0.0021142 k( 48) = ( 0.3263889 0.0000000 0.3263889), wk = 0.0021142 k( 49) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0021142 k( 50) = ( 0.3402778 -0.0000000 0.3402778), wk = 0.0021142 k( 51) = ( 0.3472222 0.0000000 0.3472222), wk = 0.0021142 k( 52) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0021142 k( 53) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0021142 k( 54) = ( 0.3680556 -0.0000000 0.3680556), wk = 0.0021142 k( 55) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0021142 k( 56) = ( 0.3819444 0.0000000 0.3819444), wk = 0.0021142 k( 57) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0021142 k( 58) = ( 0.3958333 0.0000000 0.3958333), wk = 0.0021142 k( 59) = ( 0.4027778 0.0000000 0.4027778), wk = 0.0021142 k( 60) = ( 0.4097222 0.0000000 0.4097222), wk = 0.0021142 k( 61) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0021142 k( 62) = ( 0.4236111 0.0000000 0.4236111), wk = 0.0021142 k( 63) = ( 0.4305556 0.0000000 0.4305556), wk = 0.0021142 k( 64) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0021142 k( 65) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0021142 k( 66) = ( 0.4513889 -0.0000000 0.4513889), wk = 0.0021142 k( 67) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0021142 k( 68) = ( 0.4652778 0.0000000 0.4652778), wk = 0.0021142 k( 69) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0021142 k( 70) = ( 0.4791667 0.0000000 0.4791667), wk = 0.0021142 k( 71) = ( 0.4861111 -0.0000000 0.4861111), wk = 0.0021142 k( 72) = ( 0.4930556 0.0000000 0.4930556), wk = 0.0021142 k( 73) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021142 k( 74) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021142 k( 75) = ( 0.5000000 0.0069444 0.5069444), wk = 0.0021142 k( 76) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0021142 k( 77) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0021142 k( 78) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0021142 k( 79) = ( 0.5000000 0.0347222 0.5347222), wk = 0.0021142 k( 80) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0021142 k( 81) = ( 0.5000000 0.0486111 0.5486111), wk = 0.0021142 k( 82) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0021142 k( 83) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0021142 k( 84) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0021142 k( 85) = ( 0.5000000 0.0763889 0.5763889), wk = 0.0021142 k( 86) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0021142 k( 87) = ( 0.5000000 0.0902778 0.5902778), wk = 0.0021142 k( 88) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0021142 k( 89) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0021142 k( 90) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0021142 k( 91) = ( 0.5000000 0.1180556 0.6180556), wk = 0.0021142 k( 92) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0021142 k( 93) = ( 0.5000000 0.1319444 0.6319444), wk = 0.0021142 k( 94) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0021142 k( 95) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0021142 k( 96) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0021142 k( 97) = ( 0.5000000 0.1597222 0.6597222), wk = 0.0021142 k( 98) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0021142 k( 99) = ( 0.5000000 0.1736111 0.6736111), wk = 0.0021142 k( 100) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0021142 k( 101) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0021142 k( 102) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0021142 k( 103) = ( 0.5000000 0.2013889 0.7013889), wk = 0.0021142 k( 104) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0021142 k( 105) = ( 0.5000000 0.2152778 0.7152778), wk = 0.0021142 k( 106) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0021142 k( 107) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0021142 k( 108) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0021142 k( 109) = ( 0.5000000 0.2430556 0.7430556), wk = 0.0021142 k( 110) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021142 k( 111) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021142 k( 112) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0021142 k( 113) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0021142 k( 114) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0021142 k( 115) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0021142 k( 116) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0021142 k( 117) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0021142 k( 118) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0021142 k( 119) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0021142 k( 120) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0021142 k( 121) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0021142 k( 122) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0021142 k( 123) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0021142 k( 124) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0021142 k( 125) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0021142 k( 126) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0021142 k( 127) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0021142 k( 128) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0021142 k( 129) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0021142 k( 130) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0021142 k( 131) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0021142 k( 132) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0021142 k( 133) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0021142 k( 134) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0021142 k( 135) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0021142 k( 136) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0021142 k( 137) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021142 k( 138) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021142 k( 139) = ( 0.3700658 0.3700658 0.7401316), wk = 0.0021142 k( 140) = ( 0.3651316 0.3651316 0.7302632), wk = 0.0021142 k( 141) = ( 0.3601974 0.3601974 0.7203947), wk = 0.0021142 k( 142) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0021142 k( 143) = ( 0.3503289 0.3503289 0.7006579), wk = 0.0021142 k( 144) = ( 0.3453947 0.3453947 0.6907895), wk = 0.0021142 k( 145) = ( 0.3404605 0.3404605 0.6809211), wk = 0.0021142 k( 146) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0021142 k( 147) = ( 0.3305921 0.3305921 0.6611842), wk = 0.0021142 k( 148) = ( 0.3256579 0.3256579 0.6513158), wk = 0.0021142 k( 149) = ( 0.3207237 0.3207237 0.6414474), wk = 0.0021142 k( 150) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0021142 k( 151) = ( 0.3108553 0.3108553 0.6217105), wk = 0.0021142 k( 152) = ( 0.3059211 0.3059211 0.6118421), wk = 0.0021142 k( 153) = ( 0.3009868 0.3009868 0.6019737), wk = 0.0021142 k( 154) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0021142 k( 155) = ( 0.2911184 0.2911184 0.5822368), wk = 0.0021142 k( 156) = ( 0.2861842 0.2861842 0.5723684), wk = 0.0021142 k( 157) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0021142 k( 158) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0021142 k( 159) = ( 0.2713816 0.2713816 0.5427632), wk = 0.0021142 k( 160) = ( 0.2664474 0.2664474 0.5328947), wk = 0.0021142 k( 161) = ( 0.2615132 0.2615132 0.5230263), wk = 0.0021142 k( 162) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0021142 k( 163) = ( 0.2516447 0.2516447 0.5032895), wk = 0.0021142 k( 164) = ( 0.2467105 0.2467105 0.4934211), wk = 0.0021142 k( 165) = ( 0.2417763 0.2417763 0.4835526), wk = 0.0021142 k( 166) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0021142 k( 167) = ( 0.2319079 0.2319079 0.4638158), wk = 0.0021142 k( 168) = ( 0.2269737 0.2269737 0.4539474), wk = 0.0021142 k( 169) = ( 0.2220395 0.2220395 0.4440789), wk = 0.0021142 k( 170) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0021142 k( 171) = ( 0.2121710 0.2121711 0.4243421), wk = 0.0021142 k( 172) = ( 0.2072368 0.2072368 0.4144737), wk = 0.0021142 k( 173) = ( 0.2023026 0.2023026 0.4046053), wk = 0.0021142 k( 174) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0021142 k( 175) = ( 0.1924342 0.1924342 0.3848684), wk = 0.0021142 k( 176) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0021142 k( 177) = ( 0.1825658 0.1825658 0.3651316), wk = 0.0021142 k( 178) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0021142 k( 179) = ( 0.1726974 0.1726974 0.3453947), wk = 0.0021142 k( 180) = ( 0.1677632 0.1677632 0.3355263), wk = 0.0021142 k( 181) = ( 0.1628290 0.1628290 0.3256579), wk = 0.0021142 k( 182) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0021142 k( 183) = ( 0.1529605 0.1529605 0.3059211), wk = 0.0021142 k( 184) = ( 0.1480263 0.1480263 0.2960526), wk = 0.0021142 k( 185) = ( 0.1430921 0.1430921 0.2861842), wk = 0.0021142 k( 186) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0021142 k( 187) = ( 0.1332237 0.1332237 0.2664474), wk = 0.0021142 k( 188) = ( 0.1282895 0.1282895 0.2565789), wk = 0.0021142 k( 189) = ( 0.1233553 0.1233553 0.2467105), wk = 0.0021142 k( 190) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0021142 k( 191) = ( 0.1134868 0.1134868 0.2269737), wk = 0.0021142 k( 192) = ( 0.1085526 0.1085526 0.2171053), wk = 0.0021142 k( 193) = ( 0.1036184 0.1036184 0.2072368), wk = 0.0021142 k( 194) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0021142 k( 195) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0021142 k( 196) = ( 0.0888158 0.0888158 0.1776316), wk = 0.0021142 k( 197) = ( 0.0838816 0.0838816 0.1677632), wk = 0.0021142 k( 198) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0021142 k( 199) = ( 0.0740132 0.0740132 0.1480263), wk = 0.0021142 k( 200) = ( 0.0690790 0.0690790 0.1381579), wk = 0.0021142 k( 201) = ( 0.0641447 0.0641447 0.1282895), wk = 0.0021142 k( 202) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0021142 k( 203) = ( 0.0542763 0.0542763 0.1085526), wk = 0.0021142 k( 204) = ( 0.0493421 0.0493421 0.0986842), wk = 0.0021142 k( 205) = ( 0.0444079 0.0444079 0.0888158), wk = 0.0021142 k( 206) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0021142 k( 207) = ( 0.0345395 0.0345395 0.0690790), wk = 0.0021142 k( 208) = ( 0.0296053 0.0296053 0.0592105), wk = 0.0021142 k( 209) = ( 0.0246710 0.0246710 0.0493421), wk = 0.0021142 k( 210) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0021142 k( 211) = ( 0.0148026 0.0148026 0.0296053), wk = 0.0021142 k( 212) = ( 0.0098684 0.0098684 0.0197368), wk = 0.0021142 k( 213) = ( 0.0049342 0.0049342 0.0098684), wk = 0.0021142 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021142 k( 216) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0021142 k( 217) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0021142 k( 218) = ( 0.0241936 0.0241936 0.0241936), wk = 0.0021142 k( 219) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0021142 k( 220) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0021142 k( 221) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0021142 k( 222) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0021142 k( 223) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0021142 k( 224) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0021142 k( 225) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0021142 k( 226) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0021142 k( 227) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0021142 k( 228) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0021142 k( 229) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0021142 k( 230) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0021142 k( 231) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0021142 k( 232) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0021142 k( 233) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0021142 k( 234) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0021142 k( 235) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0021142 k( 236) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0021142 k( 237) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0021142 k( 238) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0021142 k( 239) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0021142 k( 240) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0021142 k( 241) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0021142 k( 242) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0021142 k( 243) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0021142 k( 244) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0021142 k( 245) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0021142 k( 246) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021142 k( 247) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0021142 k( 248) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0021142 k( 249) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0021142 k( 250) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0021142 k( 251) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0021142 k( 252) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0021142 k( 253) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0021142 k( 254) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0021142 k( 255) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0021142 k( 256) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0021142 k( 257) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0021142 k( 258) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0021142 k( 259) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0021142 k( 260) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0021142 k( 261) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0021142 k( 262) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0021142 k( 263) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0021142 k( 264) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0021142 k( 265) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0021142 k( 266) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0021142 k( 267) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0021142 k( 268) = ( 0.4274193 0.4274193 0.4274193), wk = 0.0021142 k( 269) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0021142 k( 270) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0021142 k( 271) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0021142 k( 272) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0021142 k( 273) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0021142 k( 274) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0021142 k( 275) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0021142 k( 276) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0021142 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021142 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021142 k( 279) = ( 0.5028409 0.4943182 0.5028409), wk = 0.0021142 k( 280) = ( 0.5056818 0.4886364 0.5056818), wk = 0.0021142 k( 281) = ( 0.5085227 0.4829545 0.5085227), wk = 0.0021142 k( 282) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0021142 k( 283) = ( 0.5142045 0.4715909 0.5142045), wk = 0.0021142 k( 284) = ( 0.5170455 0.4659091 0.5170455), wk = 0.0021142 k( 285) = ( 0.5198864 0.4602273 0.5198864), wk = 0.0021142 k( 286) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0021142 k( 287) = ( 0.5255682 0.4488636 0.5255682), wk = 0.0021142 k( 288) = ( 0.5284091 0.4431818 0.5284091), wk = 0.0021142 k( 289) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0021142 k( 290) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0021142 k( 291) = ( 0.5369318 0.4261364 0.5369318), wk = 0.0021142 k( 292) = ( 0.5397727 0.4204545 0.5397727), wk = 0.0021142 k( 293) = ( 0.5426136 0.4147727 0.5426136), wk = 0.0021142 k( 294) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0021142 k( 295) = ( 0.5482955 0.4034091 0.5482955), wk = 0.0021142 k( 296) = ( 0.5511364 0.3977273 0.5511364), wk = 0.0021142 k( 297) = ( 0.5539773 0.3920455 0.5539773), wk = 0.0021142 k( 298) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0021142 k( 299) = ( 0.5596591 0.3806818 0.5596591), wk = 0.0021142 k( 300) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0021142 k( 301) = ( 0.5653409 0.3693182 0.5653409), wk = 0.0021142 k( 302) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0021142 k( 303) = ( 0.5710227 0.3579545 0.5710227), wk = 0.0021142 k( 304) = ( 0.5738636 0.3522727 0.5738636), wk = 0.0021142 k( 305) = ( 0.5767045 0.3465909 0.5767045), wk = 0.0021142 k( 306) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0021142 k( 307) = ( 0.5823864 0.3352273 0.5823864), wk = 0.0021142 k( 308) = ( 0.5852273 0.3295455 0.5852273), wk = 0.0021142 k( 309) = ( 0.5880682 0.3238636 0.5880682), wk = 0.0021142 k( 310) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0021142 k( 311) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0021142 k( 312) = ( 0.5965909 0.3068182 0.5965909), wk = 0.0021142 k( 313) = ( 0.5994318 0.3011364 0.5994318), wk = 0.0021142 k( 314) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0021142 k( 315) = ( 0.6051136 0.2897727 0.6051136), wk = 0.0021142 k( 316) = ( 0.6079545 0.2840909 0.6079545), wk = 0.0021142 k( 317) = ( 0.6107955 0.2784091 0.6107954), wk = 0.0021142 k( 318) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0021142 k( 319) = ( 0.6164773 0.2670455 0.6164773), wk = 0.0021142 k( 320) = ( 0.6193182 0.2613636 0.6193182), wk = 0.0021142 k( 321) = ( 0.6221591 0.2556818 0.6221591), wk = 0.0021142 k( 322) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021142 k( 323) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021142 k( 324) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0021142 k( 325) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0021142 k( 326) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0021142 k( 327) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0021142 k( 328) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0021142 k( 329) = ( 0.5961538 0.2500000 0.6538461), wk = 0.0021142 k( 330) = ( 0.5913462 0.2500000 0.6586538), wk = 0.0021142 k( 331) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0021142 k( 332) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0021142 k( 333) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0021142 k( 334) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0021142 k( 335) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0021142 k( 336) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0021142 k( 337) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0021142 k( 338) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0021142 k( 339) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0021142 k( 340) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0021142 k( 341) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0021142 k( 342) = ( 0.5336538 0.2500000 0.7163462), wk = 0.0021142 k( 343) = ( 0.5288462 0.2500000 0.7211539), wk = 0.0021142 k( 344) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0021142 k( 345) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0021142 k( 346) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0021142 k( 347) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0021142 k( 348) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0021142 k( 349) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021142 k( 350) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021142 k( 351) = ( 0.5000000 0.2549020 0.7450980), wk = 0.0021142 k( 352) = ( 0.5000000 0.2598039 0.7401961), wk = 0.0021142 k( 353) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0021142 k( 354) = ( 0.5000000 0.2696078 0.7303922), wk = 0.0021142 k( 355) = ( 0.5000000 0.2745098 0.7254902), wk = 0.0021142 k( 356) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0021142 k( 357) = ( 0.5000000 0.2843137 0.7156863), wk = 0.0021142 k( 358) = ( 0.5000000 0.2892157 0.7107843), wk = 0.0021142 k( 359) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0021142 k( 360) = ( 0.5000000 0.2990196 0.7009804), wk = 0.0021142 k( 361) = ( 0.5000000 0.3039216 0.6960784), wk = 0.0021142 k( 362) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0021142 k( 363) = ( 0.5000000 0.3137255 0.6862745), wk = 0.0021142 k( 364) = ( 0.5000000 0.3186275 0.6813725), wk = 0.0021142 k( 365) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0021142 k( 366) = ( 0.5000000 0.3284314 0.6715686), wk = 0.0021142 k( 367) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0021142 k( 368) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0021142 k( 369) = ( 0.5000000 0.3431373 0.6568627), wk = 0.0021142 k( 370) = ( 0.5000000 0.3480392 0.6519608), wk = 0.0021142 k( 371) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0021142 k( 372) = ( 0.5000000 0.3578431 0.6421569), wk = 0.0021142 k( 373) = ( 0.5000000 0.3627451 0.6372549), wk = 0.0021142 k( 374) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0021142 k( 375) = ( 0.5000000 0.3725490 0.6274510), wk = 0.0021142 k( 376) = ( 0.5000000 0.3774510 0.6225490), wk = 0.0021142 k( 377) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0021142 k( 378) = ( 0.5000000 0.3872549 0.6127451), wk = 0.0021142 k( 379) = ( 0.5000000 0.3921569 0.6078431), wk = 0.0021142 k( 380) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0021142 k( 381) = ( 0.5000000 0.4019608 0.5980392), wk = 0.0021142 k( 382) = ( 0.5000000 0.4068627 0.5931372), wk = 0.0021142 k( 383) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0021142 k( 384) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0021142 k( 385) = ( 0.5000000 0.4215686 0.5784314), wk = 0.0021142 k( 386) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0021142 k( 387) = ( 0.5000000 0.4313726 0.5686275), wk = 0.0021142 k( 388) = ( 0.5000000 0.4362745 0.5637255), wk = 0.0021142 k( 389) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0021142 k( 390) = ( 0.5000000 0.4460784 0.5539216), wk = 0.0021142 k( 391) = ( 0.5000000 0.4509804 0.5490196), wk = 0.0021142 k( 392) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0021142 k( 393) = ( 0.5000000 0.4607843 0.5392157), wk = 0.0021142 k( 394) = ( 0.5000000 0.4656863 0.5343137), wk = 0.0021142 k( 395) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0021142 k( 396) = ( 0.5000000 0.4754902 0.5245098), wk = 0.0021142 k( 397) = ( 0.5000000 0.4803922 0.5196078), wk = 0.0021142 k( 398) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0021142 k( 399) = ( 0.5000000 0.4901961 0.5098039), wk = 0.0021142 k( 400) = ( 0.5000000 0.4950980 0.5049020), wk = 0.0021142 k( 401) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021142 k( 402) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021142 k( 403) = ( 0.4971591 0.4971591 0.5056818), wk = 0.0021142 k( 404) = ( 0.4943182 0.4943182 0.5113636), wk = 0.0021142 k( 405) = ( 0.4914773 0.4914773 0.5170455), wk = 0.0021142 k( 406) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0021142 k( 407) = ( 0.4857955 0.4857955 0.5284091), wk = 0.0021142 k( 408) = ( 0.4829545 0.4829545 0.5340909), wk = 0.0021142 k( 409) = ( 0.4801136 0.4801136 0.5397727), wk = 0.0021142 k( 410) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0021142 k( 411) = ( 0.4744318 0.4744318 0.5511364), wk = 0.0021142 k( 412) = ( 0.4715909 0.4715909 0.5568182), wk = 0.0021142 k( 413) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0021142 k( 414) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0021142 k( 415) = ( 0.4630682 0.4630682 0.5738636), wk = 0.0021142 k( 416) = ( 0.4602273 0.4602273 0.5795455), wk = 0.0021142 k( 417) = ( 0.4573864 0.4573864 0.5852273), wk = 0.0021142 k( 418) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0021142 k( 419) = ( 0.4517045 0.4517045 0.5965909), wk = 0.0021142 k( 420) = ( 0.4488636 0.4488636 0.6022727), wk = 0.0021142 k( 421) = ( 0.4460227 0.4460227 0.6079545), wk = 0.0021142 k( 422) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0021142 k( 423) = ( 0.4403409 0.4403409 0.6193182), wk = 0.0021142 k( 424) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0021142 k( 425) = ( 0.4346591 0.4346591 0.6306818), wk = 0.0021142 k( 426) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0021142 k( 427) = ( 0.4289773 0.4289773 0.6420455), wk = 0.0021142 k( 428) = ( 0.4261364 0.4261364 0.6477273), wk = 0.0021142 k( 429) = ( 0.4232955 0.4232955 0.6534091), wk = 0.0021142 k( 430) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0021142 k( 431) = ( 0.4176136 0.4176136 0.6647727), wk = 0.0021142 k( 432) = ( 0.4147727 0.4147727 0.6704545), wk = 0.0021142 k( 433) = ( 0.4119318 0.4119318 0.6761364), wk = 0.0021142 k( 434) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0021142 k( 435) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0021142 k( 436) = ( 0.4034091 0.4034091 0.6931818), wk = 0.0021142 k( 437) = ( 0.4005682 0.4005682 0.6988636), wk = 0.0021142 k( 438) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0021142 k( 439) = ( 0.3948864 0.3948864 0.7102273), wk = 0.0021142 k( 440) = ( 0.3920455 0.3920455 0.7159091), wk = 0.0021142 k( 441) = ( 0.3892045 0.3892045 0.7215909), wk = 0.0021142 k( 442) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0021142 k( 443) = ( 0.3835227 0.3835227 0.7329545), wk = 0.0021142 k( 444) = ( 0.3806818 0.3806818 0.7386364), wk = 0.0021142 k( 445) = ( 0.3778409 0.3778409 0.7443182), wk = 0.0021142 k( 446) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021142 k( 447) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021142 k( 448) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0021142 k( 449) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0021142 k( 450) = ( 0.6105769 0.2211538 0.6105769), wk = 0.0021142 k( 451) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0021142 k( 452) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0021142 k( 453) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0021142 k( 454) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0021142 k( 455) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0021142 k( 456) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0021142 k( 457) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0021142 k( 458) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0021142 k( 459) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0021142 k( 460) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0021142 k( 461) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0021142 k( 462) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0021142 k( 463) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0021142 k( 464) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0021142 k( 465) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0021142 k( 466) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0021142 k( 467) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0021142 k( 468) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0021142 k( 469) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0021142 k( 470) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0021142 k( 471) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0021142 k( 472) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0021142 k( 473) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021142 Dense grid: 13851 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5673 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 32, 16) NL pseudopotentials 0.01 Mb ( 16, 28) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 291) G-vector shells 0.00 Mb ( 119) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 32, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.01 Mb ( 28, 2, 16) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AlN.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.2 secs Computing kpt #: 2 total cpu time spent up to now is 39.3 secs Computing kpt #: 3 total cpu time spent up to now is 39.3 secs Computing kpt #: 4 total cpu time spent up to now is 39.4 secs Computing kpt #: 5 total cpu time spent up to now is 39.5 secs Computing kpt #: 6 total cpu time spent up to now is 39.6 secs Computing kpt #: 7 total cpu time spent up to now is 39.7 secs Computing kpt #: 8 total cpu time spent up to now is 39.8 secs Computing kpt #: 9 total cpu time spent up to now is 39.9 secs Computing kpt #: 10 total cpu time spent up to now is 40.0 secs Computing kpt #: 11 total cpu time spent up to now is 40.1 secs Computing kpt #: 12 total cpu time spent up to now is 40.2 secs Computing kpt #: 13 total cpu time spent up to now is 40.3 secs Computing kpt #: 14 total cpu time spent up to now is 40.4 secs Computing kpt #: 15 total cpu time spent up to now is 40.5 secs Computing kpt #: 16 total cpu time spent up to now is 40.6 secs Computing kpt #: 17 total cpu time spent up to now is 40.7 secs Computing kpt #: 18 total cpu time spent up to now is 40.8 secs Computing kpt #: 19 total cpu time spent up to now is 40.9 secs Computing kpt #: 20 total cpu time spent up to now is 41.0 secs Computing kpt #: 21 total cpu time spent up to now is 41.1 secs Computing kpt #: 22 total cpu time spent up to now is 41.2 secs Computing kpt #: 23 total cpu time spent up to now is 41.4 secs Computing kpt #: 24 total cpu time spent up to now is 41.5 secs Computing kpt #: 25 total cpu time spent up to now is 41.6 secs Computing kpt #: 26 total cpu time spent up to now is 41.7 secs Computing kpt #: 27 total cpu time spent up to now is 41.8 secs Computing kpt #: 28 total cpu time spent up to now is 41.9 secs Computing kpt #: 29 total cpu time spent up to now is 42.0 secs Computing kpt #: 30 total cpu time spent up to now is 42.1 secs Computing kpt #: 31 total cpu time spent up to now is 42.2 secs Computing kpt #: 32 total cpu time spent up to now is 42.4 secs Computing kpt #: 33 total cpu time spent up to now is 42.5 secs Computing kpt #: 34 total cpu time spent up to now is 42.6 secs Computing kpt #: 35 total cpu time spent up to now is 42.8 secs Computing kpt #: 36 total cpu time spent up to now is 42.9 secs Computing kpt #: 37 total cpu time spent up to now is 43.0 secs Computing kpt #: 38 total cpu time spent up to now is 43.1 secs Computing kpt #: 39 total cpu time spent up to now is 43.2 secs Computing kpt #: 40 total cpu time spent up to now is 43.4 secs Computing kpt #: 41 total cpu time spent up to now is 43.5 secs Computing kpt #: 42 total cpu time spent up to now is 43.6 secs Computing kpt #: 43 total cpu time spent up to now is 43.7 secs Computing kpt #: 44 total cpu time spent up to now is 43.9 secs Computing kpt #: 45 total cpu time spent up to now is 44.0 secs Computing kpt #: 46 total cpu time spent up to now is 44.1 secs Computing kpt #: 47 total cpu time spent up to now is 44.2 secs Computing kpt #: 48 total cpu time spent up to now is 44.3 secs Computing kpt #: 49 total cpu time spent up to now is 44.4 secs Computing kpt #: 50 total cpu time spent up to now is 44.5 secs Computing kpt #: 51 total cpu time spent up to now is 44.6 secs Computing kpt #: 52 total cpu time spent up to now is 44.7 secs Computing kpt #: 53 total cpu time spent up to now is 45.0 secs Computing kpt #: 54 total cpu time spent up to now is 45.1 secs Computing kpt #: 55 total cpu time spent up to now is 45.2 secs Computing kpt #: 56 total cpu time spent up to now is 45.3 secs Computing kpt #: 57 total cpu time spent up to now is 45.4 secs Computing kpt #: 58 total cpu time spent up to now is 45.5 secs Computing kpt #: 59 total cpu time spent up to now is 45.6 secs Computing kpt #: 60 total cpu time spent up to now is 45.7 secs Computing kpt #: 61 total cpu time spent up to now is 45.8 secs Computing kpt #: 62 total cpu time spent up to now is 45.9 secs Computing kpt #: 63 total cpu time spent up to now is 46.1 secs Computing kpt #: 64 total cpu time spent up to now is 46.2 secs Computing kpt #: 65 total cpu time spent up to now is 46.3 secs Computing kpt #: 66 total cpu time spent up to now is 46.4 secs Computing kpt #: 67 total cpu time spent up to now is 46.5 secs Computing kpt #: 68 total cpu time spent up to now is 46.7 secs Computing kpt #: 69 total cpu time spent up to now is 46.8 secs Computing kpt #: 70 total cpu time spent up to now is 47.0 secs Computing kpt #: 71 total cpu time spent up to now is 47.1 secs Computing kpt #: 72 total cpu time spent up to now is 47.2 secs Computing kpt #: 73 total cpu time spent up to now is 47.4 secs Computing kpt #: 74 total cpu time spent up to now is 47.5 secs Computing kpt #: 75 total cpu time spent up to now is 47.6 secs Computing kpt #: 76 total cpu time spent up to now is 47.7 secs Computing kpt #: 77 total cpu time spent up to now is 47.8 secs Computing kpt #: 78 total cpu time spent up to now is 47.9 secs Computing kpt #: 79 total cpu time spent up to now is 48.0 secs Computing kpt #: 80 total cpu time spent up to now is 48.1 secs Computing kpt #: 81 total cpu time spent up to now is 48.2 secs Computing kpt #: 82 total cpu time spent up to now is 48.3 secs Computing kpt #: 83 total cpu time spent up to now is 48.9 secs Computing kpt #: 84 total cpu time spent up to now is 49.0 secs Computing kpt #: 85 total cpu time spent up to now is 49.2 secs Computing kpt #: 86 total cpu time spent up to now is 49.3 secs Computing kpt #: 87 total cpu time spent up to now is 49.5 secs Computing kpt #: 88 total cpu time spent up to now is 49.6 secs Computing kpt #: 89 total cpu time spent up to now is 49.7 secs Computing kpt #: 90 total cpu time spent up to now is 49.9 secs Computing kpt #: 91 total cpu time spent up to now is 50.4 secs Computing kpt #: 92 total cpu time spent up to now is 50.6 secs Computing kpt #: 93 total cpu time spent up to now is 50.8 secs Computing kpt #: 94 total cpu time spent up to now is 51.6 secs Computing kpt #: 95 total cpu time spent up to now is 51.7 secs Computing kpt #: 96 total cpu time spent up to now is 51.9 secs Computing kpt #: 97 total cpu time spent up to now is 52.1 secs Computing kpt #: 98 total cpu time spent up to now is 52.2 secs Computing kpt #: 99 total cpu time spent up to now is 52.3 secs Computing kpt #: 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total cpu time spent up to now is 60.9 secs Computing kpt #: 147 total cpu time spent up to now is 61.0 secs Computing kpt #: 148 total cpu time spent up to now is 61.1 secs Computing kpt #: 149 total cpu time spent up to now is 61.2 secs Computing kpt #: 150 total cpu time spent up to now is 61.3 secs Computing kpt #: 151 total cpu time spent up to now is 61.4 secs Computing kpt #: 152 total cpu time spent up to now is 61.5 secs Computing kpt #: 153 total cpu time spent up to now is 61.6 secs Computing kpt #: 154 total cpu time spent up to now is 61.7 secs Computing kpt #: 155 total cpu time spent up to now is 61.8 secs Computing kpt #: 156 total cpu time spent up to now is 61.9 secs Computing kpt #: 157 total cpu time spent up to now is 62.0 secs Computing kpt #: 158 total cpu time spent up to now is 62.1 secs Computing kpt #: 159 total cpu time spent up to now is 62.1 secs Computing kpt #: 160 total cpu time spent up to now is 62.2 secs Computing kpt #: 161 total cpu time spent up to now is 62.3 secs Computing kpt #: 162 total cpu time spent up to now is 62.4 secs Computing kpt #: 163 total cpu time spent up to now is 62.6 secs Computing kpt #: 164 total cpu time spent up to now is 63.0 secs Computing kpt #: 165 total cpu time spent up to now is 63.2 secs Computing kpt #: 166 total cpu time spent up to now is 63.3 secs Computing kpt #: 167 total cpu time spent up to now is 63.5 secs Computing kpt #: 168 total cpu time spent up to now is 63.7 secs Computing kpt #: 169 total cpu time spent up to now is 63.8 secs Computing kpt #: 170 total cpu time spent up to now is 64.0 secs Computing kpt #: 171 total cpu time spent up to now is 64.1 secs Computing kpt #: 172 total cpu time spent up to now is 64.2 secs Computing kpt #: 173 total cpu time spent up to now is 64.4 secs Computing kpt #: 174 total cpu time spent up to now is 64.5 secs Computing kpt #: 175 total cpu time spent up to now is 64.7 secs Computing kpt #: 176 total cpu time spent up to now is 65.1 secs Computing kpt #: 177 total cpu time spent up to now is 65.2 secs Computing kpt #: 178 total cpu time spent up to now is 65.4 secs Computing kpt #: 179 total cpu time spent up to now is 65.5 secs Computing kpt #: 180 total cpu time spent up to now is 65.7 secs Computing kpt #: 181 total cpu time spent up to now is 65.9 secs Computing kpt #: 182 total cpu time spent up to now is 66.0 secs Computing kpt #: 183 total cpu time spent up to now is 66.3 secs Computing kpt #: 184 total cpu time spent up to now is 66.5 secs Computing kpt #: 185 total cpu time spent up to now is 66.6 secs Computing kpt #: 186 total cpu time spent up to now is 66.7 secs Computing kpt #: 187 total cpu time spent up to now is 66.9 secs Computing kpt #: 188 total cpu time spent up to now is 67.0 secs Computing kpt #: 189 total cpu time spent up to now is 67.1 secs Computing kpt #: 190 total cpu time spent up to now is 67.2 secs Computing kpt #: 191 total cpu time spent up to now is 67.3 secs Computing kpt #: 192 total cpu time spent up to now is 67.4 secs Computing kpt #: 193 total cpu time spent up to now is 67.5 secs Computing kpt #: 194 total cpu time spent up to now is 67.6 secs Computing kpt #: 195 total cpu time spent up to now is 67.7 secs Computing kpt #: 196 total cpu time spent up to now is 67.8 secs Computing kpt #: 197 total cpu time spent up to now is 67.9 secs Computing kpt #: 198 total cpu time spent up to now is 68.0 secs Computing kpt #: 199 total cpu time spent up to now is 68.2 secs Computing kpt #: 200 total cpu time spent up to now is 68.3 secs Computing kpt #: 201 total cpu time spent up to now is 68.5 secs Computing kpt #: 202 total cpu time spent up to now is 68.6 secs Computing kpt #: 203 total cpu time spent up to now is 68.7 secs Computing kpt #: 204 total cpu time spent up to now is 68.9 secs Computing kpt #: 205 total cpu time spent up to now is 69.0 secs Computing kpt #: 206 total cpu time spent up to now is 69.1 secs Computing kpt #: 207 total cpu time spent up to now is 69.3 secs Computing kpt #: 208 total cpu time spent up to now is 69.4 secs Computing kpt #: 209 total cpu time spent up to now is 69.5 secs Computing kpt #: 210 total cpu time spent up to now is 69.6 secs Computing kpt #: 211 total cpu time spent up to now is 69.8 secs Computing kpt #: 212 total cpu time spent up to now is 69.9 secs Computing kpt #: 213 total cpu time spent up to now is 70.0 secs Computing kpt #: 214 total cpu time spent up to now is 70.1 secs Computing kpt #: 215 total cpu time spent up to now is 70.3 secs Computing kpt #: 216 total cpu time spent up to now is 70.4 secs Computing kpt #: 217 total cpu time spent up to now is 70.5 secs Computing kpt #: 218 total cpu time spent up to now is 70.5 secs Computing kpt #: 219 total cpu time spent up to now is 70.6 secs Computing kpt #: 220 total cpu time spent up to now is 70.7 secs Computing kpt #: 221 total cpu time spent up to now is 70.8 secs Computing kpt #: 222 total cpu time spent up to now is 70.9 secs Computing kpt #: 223 total cpu time spent up to now is 71.0 secs Computing kpt #: 224 total cpu time spent up to now is 71.1 secs Computing kpt #: 225 total cpu time spent up to now is 71.2 secs Computing kpt #: 226 total cpu time spent up to now is 71.3 secs Computing kpt #: 227 total cpu time spent up to now is 71.4 secs Computing kpt #: 228 total cpu time spent up to now is 71.5 secs Computing kpt #: 229 total cpu time spent up to now is 71.6 secs Computing kpt #: 230 total cpu time spent up to now is 71.7 secs Computing kpt #: 231 total cpu time spent up to now is 71.8 secs Computing kpt #: 232 total cpu time spent up to now is 71.8 secs Computing kpt #: 233 total cpu time spent up to now is 71.9 secs Computing kpt #: 234 total cpu time spent up to now is 72.0 secs Computing kpt #: 235 total cpu time spent up to now is 72.1 secs Computing kpt #: 236 total cpu time spent up to now is 72.2 secs Computing kpt #: 237 total cpu time spent up to now is 72.4 secs Computing kpt #: 238 total cpu time spent up to now is 72.5 secs Computing kpt #: 239 total cpu time spent up to now is 72.6 secs Computing kpt #: 240 total cpu time spent up to now is 72.7 secs Computing kpt #: 241 total cpu time spent up to now is 72.9 secs Computing kpt #: 242 total cpu time spent up to now is 73.0 secs Computing kpt #: 243 total cpu time spent up to now is 73.2 secs Computing kpt #: 244 total cpu time spent up to now is 73.3 secs Computing kpt #: 245 total cpu time spent up to now is 73.4 secs Computing kpt #: 246 total cpu time spent up to now is 73.6 secs Computing kpt #: 247 total cpu time spent up to now is 73.7 secs Computing kpt #: 248 total cpu time spent up to now is 73.8 secs Computing kpt #: 249 total cpu time spent up to now is 73.9 secs Computing kpt #: 250 total cpu time spent up to now is 74.0 secs Computing kpt #: 251 total cpu time spent up to now is 74.2 secs Computing kpt #: 252 total cpu time spent up to now is 74.3 secs Computing kpt #: 253 total cpu time spent up to now is 74.4 secs Computing kpt #: 254 total cpu time spent up to now is 74.5 secs Computing kpt #: 255 total cpu time spent up to now is 74.6 secs Computing kpt #: 256 total cpu time spent up to now is 74.7 secs Computing kpt #: 257 total cpu time spent up to now is 74.8 secs Computing kpt #: 258 total cpu time spent up to now is 74.9 secs Computing kpt #: 259 total cpu time spent up to now is 75.0 secs Computing kpt #: 260 total cpu time spent up to now is 75.1 secs Computing kpt #: 261 total cpu time spent up to now is 75.1 secs Computing kpt #: 262 total cpu time spent up to now is 75.2 secs Computing kpt #: 263 total cpu time spent up to now is 75.3 secs Computing kpt #: 264 total cpu time spent up to now is 75.4 secs Computing kpt #: 265 total cpu time spent up to now is 75.5 secs Computing kpt #: 266 total cpu time spent up to now is 75.6 secs Computing kpt #: 267 total cpu time spent up to now is 75.7 secs Computing kpt #: 268 total cpu time spent up to now is 75.8 secs Computing kpt #: 269 total cpu time spent up to now is 75.9 secs Computing kpt #: 270 total cpu time spent up to now is 76.0 secs Computing kpt #: 271 total cpu time spent up to now is 76.0 secs Computing kpt #: 272 total cpu time spent up to now is 76.1 secs Computing kpt #: 273 total cpu time spent up to now is 76.2 secs Computing kpt #: 274 total cpu time spent up to now is 76.3 secs Computing kpt #: 275 total cpu time spent up to now is 76.4 secs Computing kpt #: 276 total cpu time spent up to now is 76.5 secs Computing kpt #: 277 total cpu time spent up to now is 76.6 secs Computing kpt #: 278 total cpu time spent up to now is 76.7 secs Computing kpt #: 279 total cpu time spent up to now is 76.8 secs Computing kpt #: 280 total cpu time spent up to now is 76.8 secs Computing kpt #: 281 total cpu time spent up to now is 76.9 secs Computing kpt #: 282 total cpu time spent up to now is 77.0 secs Computing kpt #: 283 total cpu time spent up to now is 77.1 secs Computing kpt #: 284 total cpu time spent up to now is 77.2 secs Computing kpt #: 285 total cpu time spent up to now is 77.3 secs Computing kpt #: 286 total cpu time spent up to now is 77.4 secs Computing kpt #: 287 total cpu time spent up to now is 77.5 secs Computing kpt #: 288 total cpu time spent up to now is 77.6 secs Computing kpt #: 289 total cpu time spent up to now is 77.7 secs Computing kpt #: 290 total cpu time spent up to now is 77.8 secs Computing kpt #: 291 total cpu time spent up to now is 77.9 secs Computing kpt #: 292 total cpu time spent up to now is 78.0 secs Computing kpt #: 293 total cpu time spent up to now is 78.0 secs Computing kpt #: 294 total cpu time spent up to now is 78.1 secs Computing kpt #: 295 total cpu time spent up to now is 78.2 secs Computing kpt #: 296 total cpu time spent up to now is 78.4 secs Computing kpt #: 297 total cpu time spent up to now is 78.5 secs Computing kpt #: 298 total cpu time spent up to now is 78.6 secs Computing kpt #: 299 total cpu time spent up to now is 78.8 secs Computing kpt #: 300 total cpu time spent up to now is 79.0 secs Computing kpt #: 301 total cpu time spent up to now is 79.1 secs Computing kpt #: 302 total cpu time spent up to now is 79.2 secs Computing kpt #: 303 total cpu time spent up to now is 79.3 secs Computing kpt #: 304 total cpu time spent up to now is 79.4 secs Computing kpt #: 305 total cpu time spent up to now is 79.6 secs Computing kpt #: 306 total cpu time spent up to now is 79.7 secs Computing kpt #: 307 total cpu time spent up to now is 79.8 secs Computing kpt #: 308 total cpu time spent up to now is 79.9 secs Computing kpt #: 309 total cpu time spent up to now is 80.1 secs Computing kpt #: 310 total cpu time spent up to now is 80.3 secs Computing kpt #: 311 total cpu time spent up to now is 80.4 secs Computing kpt #: 312 total cpu time spent up to now is 80.5 secs Computing kpt #: 313 total cpu time spent up to now is 80.7 secs Computing kpt #: 314 total cpu time spent up to now is 80.8 secs Computing kpt #: 315 total cpu time spent up to now is 80.9 secs Computing kpt #: 316 total cpu time spent up to now is 81.1 secs Computing kpt #: 317 total cpu time spent up to now is 81.2 secs Computing kpt #: 318 total cpu time spent up to now is 81.3 secs Computing kpt #: 319 total cpu time spent up to now is 81.4 secs Computing kpt #: 320 total cpu time spent up to now is 81.5 secs Computing kpt #: 321 total cpu time spent up to now is 81.6 secs Computing kpt #: 322 total cpu time spent up to now is 81.6 secs Computing kpt #: 323 total cpu time spent up to now is 81.7 secs Computing kpt #: 324 total cpu time spent up to now is 81.8 secs Computing kpt #: 325 total cpu time spent up to now is 81.9 secs Computing kpt #: 326 total cpu time spent up to now is 82.0 secs Computing kpt #: 327 total cpu time spent up to now is 82.1 secs Computing kpt #: 328 total cpu time spent up to now is 82.2 secs Computing kpt #: 329 total cpu time spent up to now is 82.3 secs Computing kpt #: 330 total cpu time spent up to now is 82.4 secs Computing kpt #: 331 total cpu time spent up to now is 82.5 secs Computing kpt #: 332 total cpu time spent up to now is 82.6 secs Computing kpt #: 333 total cpu time spent up to now is 82.7 secs Computing kpt #: 334 total cpu time spent up to now is 82.8 secs Computing kpt #: 335 total cpu time spent up to now is 82.9 secs Computing kpt #: 336 total cpu time spent up to now is 83.0 secs Computing kpt #: 337 total cpu time spent up to now is 83.1 secs Computing kpt #: 338 total cpu time spent up to now is 83.2 secs Computing kpt #: 339 total cpu time spent up to now is 83.3 secs Computing kpt #: 340 total cpu time spent up to now is 83.4 secs Computing kpt #: 341 total cpu time spent up to now is 83.5 secs Computing kpt #: 342 total cpu time spent up to now is 83.6 secs Computing kpt #: 343 total cpu time spent up to now is 83.7 secs Computing kpt #: 344 total cpu time spent up to now is 83.8 secs Computing kpt #: 345 total cpu time spent up to now is 83.9 secs Computing kpt #: 346 total cpu time spent up to now is 84.0 secs Computing kpt #: 347 total cpu time spent up to now is 84.1 secs Computing kpt #: 348 total cpu time spent up to now is 84.1 secs Computing kpt #: 349 total cpu time spent up to now is 84.2 secs Computing kpt #: 350 total cpu time spent up to now is 84.3 secs Computing kpt #: 351 total cpu time spent up to now is 84.4 secs Computing kpt #: 352 total cpu time spent up to now is 84.6 secs Computing kpt #: 353 total cpu time spent up to now is 84.7 secs Computing kpt #: 354 total cpu time spent up to now is 84.8 secs Computing kpt #: 355 total cpu time spent up to now is 84.9 secs Computing kpt #: 356 total cpu time spent up to now is 85.1 secs Computing kpt #: 357 total cpu time spent up to now is 85.2 secs Computing kpt #: 358 total cpu time spent up to now is 85.4 secs Computing kpt #: 359 total cpu time spent up to now is 85.5 secs Computing kpt #: 360 total cpu time spent up to now is 85.6 secs Computing kpt #: 361 total cpu time spent up to now is 85.8 secs Computing kpt #: 362 total cpu time spent up to now is 85.9 secs Computing kpt #: 363 total cpu time spent up to now is 86.1 secs Computing kpt #: 364 total cpu time spent up to now is 86.2 secs Computing kpt #: 365 total cpu time spent up to now is 86.4 secs Computing kpt #: 366 total cpu time spent up to now is 86.6 secs Computing kpt #: 367 total cpu time spent up to now is 86.7 secs Computing kpt #: 368 total cpu time spent up to now is 86.9 secs Computing kpt #: 369 total cpu time spent up to now is 87.0 secs Computing kpt #: 370 total cpu time spent up to now is 87.1 secs Computing kpt #: 371 total cpu time spent up to now is 87.2 secs Computing kpt #: 372 total cpu time spent up to now is 87.3 secs Computing kpt #: 373 total cpu time spent up to now is 87.4 secs Computing kpt #: 374 total cpu time spent up to now is 87.5 secs Computing kpt #: 375 total cpu time spent up to now is 87.6 secs Computing kpt #: 376 total cpu time spent up to now is 87.7 secs Computing kpt #: 377 total cpu time spent up to now is 87.8 secs Computing kpt #: 378 total cpu time spent up to now is 87.9 secs Computing kpt #: 379 total cpu time spent up to now is 88.0 secs Computing kpt #: 380 total cpu time spent up to now is 88.1 secs Computing kpt #: 381 total cpu time spent up to now is 88.2 secs Computing kpt #: 382 total cpu time spent up to now is 88.3 secs Computing kpt #: 383 total cpu time spent up to now is 88.4 secs Computing kpt #: 384 total cpu time spent up to now is 88.5 secs Computing kpt #: 385 total cpu time spent up to now is 88.6 secs Computing kpt #: 386 total cpu time spent up to now is 88.7 secs Computing kpt #: 387 total cpu time spent up to now is 88.8 secs Computing kpt #: 388 total cpu time spent up to now is 88.9 secs Computing kpt #: 389 total cpu time spent up to now is 89.0 secs Computing kpt #: 390 total cpu time spent up to now is 89.1 secs Computing kpt #: 391 total cpu time spent up to now is 89.2 secs Computing kpt #: 392 total cpu time spent up to now is 89.2 secs Computing kpt #: 393 total cpu time spent up to now is 89.3 secs Computing kpt #: 394 total cpu time spent up to now is 89.4 secs Computing kpt #: 395 total cpu time spent up to now is 89.5 secs Computing kpt #: 396 total cpu time spent up to now is 89.6 secs Computing kpt #: 397 total cpu time spent up to now is 89.7 secs Computing kpt #: 398 total cpu time spent up to now is 89.8 secs Computing kpt #: 399 total cpu time spent up to now is 89.9 secs Computing kpt #: 400 total cpu time spent up to now is 90.0 secs Computing kpt #: 401 total cpu time spent up to now is 90.1 secs Computing kpt #: 402 total cpu time spent up to now is 90.2 secs Computing kpt #: 403 total cpu time spent up to now is 90.2 secs Computing kpt #: 404 total cpu time spent up to now is 90.4 secs Computing kpt #: 405 total cpu time spent up to now is 90.5 secs Computing kpt #: 406 total cpu time spent up to now is 90.6 secs Computing kpt #: 407 total cpu time spent up to now is 90.8 secs Computing kpt #: 408 total cpu time spent up to now is 90.9 secs Computing kpt #: 409 total cpu time spent up to now is 91.0 secs Computing kpt #: 410 total cpu time spent up to now is 91.2 secs Computing kpt #: 411 total cpu time spent up to now is 91.3 secs Computing kpt #: 412 total cpu time spent up to now is 91.5 secs Computing kpt #: 413 total cpu time spent up to now is 91.6 secs Computing kpt #: 414 total cpu time spent up to now is 91.7 secs Computing kpt #: 415 total cpu time spent up to now is 91.9 secs Computing kpt #: 416 total cpu time spent up to now is 92.0 secs Computing kpt #: 417 total cpu time spent up to now is 92.1 secs Computing kpt #: 418 total cpu time spent up to now is 92.3 secs Computing kpt #: 419 total cpu time spent up to now is 92.4 secs Computing kpt #: 420 total cpu time spent up to now is 92.5 secs Computing kpt #: 421 total cpu time spent up to now is 92.6 secs Computing kpt #: 422 total cpu time spent up to now is 92.7 secs Computing kpt #: 423 total cpu time spent up to now is 92.8 secs Computing kpt #: 424 total cpu time spent up to now is 92.9 secs Computing kpt #: 425 total cpu time spent up to now is 93.0 secs Computing kpt #: 426 total cpu time spent up to now is 93.1 secs Computing kpt #: 427 total cpu time spent up to now is 93.2 secs Computing kpt #: 428 total cpu time spent up to now is 93.2 secs Computing kpt #: 429 total cpu time spent up to now is 93.3 secs Computing kpt #: 430 total cpu time spent up to now is 93.4 secs Computing kpt #: 431 total cpu time spent up to now is 93.5 secs Computing kpt #: 432 total cpu time spent up to now is 93.7 secs Computing kpt #: 433 total cpu time spent up to now is 93.8 secs Computing kpt #: 434 total cpu time spent up to now is 93.9 secs Computing kpt #: 435 total cpu time spent up to now is 94.0 secs Computing kpt #: 436 total cpu time spent up to now is 94.1 secs Computing kpt #: 437 total cpu time spent up to now is 94.2 secs Computing kpt #: 438 total cpu time spent up to now is 94.3 secs Computing kpt #: 439 total cpu time spent up to now is 94.4 secs Computing kpt #: 440 total cpu time spent up to now is 94.5 secs Computing kpt #: 441 total cpu time spent up to now is 94.6 secs Computing kpt #: 442 total cpu time spent up to now is 94.7 secs Computing kpt #: 443 total cpu time spent up to now is 94.8 secs Computing kpt #: 444 total cpu time spent up to now is 94.9 secs Computing kpt #: 445 total cpu time spent up to now is 95.0 secs Computing kpt #: 446 total cpu time spent up to now is 95.1 secs Computing kpt #: 447 total cpu time spent up to now is 95.2 secs Computing kpt #: 448 total cpu time spent up to now is 95.3 secs Computing kpt #: 449 total cpu time spent up to now is 95.4 secs Computing kpt #: 450 total cpu time spent up to now is 95.5 secs Computing kpt #: 451 total cpu time spent up to now is 95.6 secs Computing kpt #: 452 total cpu time spent up to now is 95.7 secs Computing kpt #: 453 total cpu time spent up to now is 95.8 secs Computing kpt #: 454 total cpu time spent up to now is 95.9 secs Computing kpt #: 455 total cpu time spent up to now is 96.0 secs Computing kpt #: 456 total cpu time spent up to now is 96.1 secs Computing kpt #: 457 total cpu time spent up to now is 96.1 secs Computing kpt #: 458 total cpu time spent up to now is 96.2 secs Computing kpt #: 459 total cpu time spent up to now is 96.4 secs Computing kpt #: 460 total cpu time spent up to now is 96.5 secs Computing kpt #: 461 total cpu time spent up to now is 96.7 secs Computing kpt #: 462 total cpu time spent up to now is 96.8 secs Computing kpt #: 463 total cpu time spent up to now is 97.0 secs Computing kpt #: 464 total cpu time spent up to now is 97.1 secs Computing kpt #: 465 total cpu time spent up to now is 97.2 secs Computing kpt #: 466 total cpu time spent up to now is 97.3 secs Computing kpt #: 467 total cpu time spent up to now is 97.4 secs Computing kpt #: 468 total cpu time spent up to now is 97.6 secs Computing kpt #: 469 total cpu time spent up to now is 97.8 secs Computing kpt #: 470 total cpu time spent up to now is 97.9 secs Computing kpt #: 471 total cpu time spent up to now is 98.1 secs Computing kpt #: 472 total cpu time spent up to now is 98.2 secs Computing kpt #: 473 total cpu time spent up to now is 98.4 secs ethr = 1.25E-10, avg # of iterations = 14.0 total cpu time spent up to now is 98.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -8.1301 -8.1301 6.7431 6.7431 6.7622 6.7622 6.7622 6.7622 10.7821 10.7821 19.1175 19.1175 19.1677 19.1677 19.1677 19.1677 k = 0.0069-0.0040 0.0057 ( 725 PWs) bands (ev): -8.1291 -8.1291 6.7406 6.7406 6.7588 6.7588 6.7612 6.7612 10.7875 10.7875 19.1172 19.1172 19.1660 19.1660 19.1691 19.1691 k = 0.0139-0.0080 0.0113 ( 725 PWs) bands (ev): -8.1263 -8.1263 6.7309 6.7309 6.7509 6.7509 6.7580 6.7580 10.8033 10.8033 19.1150 19.1150 19.1622 19.1622 19.1732 19.1732 k = 0.0208-0.0120 0.0170 ( 725 PWs) bands (ev): -8.1217 -8.1217 6.7100 6.7100 6.7428 6.7428 6.7528 6.7528 10.8295 10.8295 19.1066 19.1066 19.1605 19.1605 19.1801 19.1801 k = 0.0278-0.0160 0.0227 ( 725 PWs) bands (ev): -8.1152 -8.1152 6.6784 6.6784 6.7344 6.7344 6.7455 6.7455 10.8655 10.8655 19.0888 19.0888 19.1645 19.1645 19.1896 19.1896 k = 0.0347-0.0200 0.0284 ( 725 PWs) bands (ev): -8.1068 -8.1068 6.6377 6.6377 6.7246 6.7246 6.7362 6.7362 10.9108 10.9108 19.0619 19.0619 19.1739 19.1739 19.2019 19.2019 k = 0.0417-0.0241 0.0340 ( 717 PWs) bands (ev): -8.0966 -8.0966 6.5890 6.5890 6.7131 6.7131 6.7249 6.7249 10.9646 10.9646 19.0276 19.0276 19.1874 19.1874 19.2169 19.2169 k = 0.0486-0.0281 0.0397 ( 717 PWs) bands (ev): -8.0845 -8.0845 6.5329 6.5329 6.6998 6.6998 6.7116 6.7116 11.0263 11.0263 18.9867 18.9867 19.2041 19.2041 19.2344 19.2344 k = 0.0556-0.0321 0.0454 ( 717 PWs) bands (ev): -8.0706 -8.0706 6.4702 6.4702 6.6845 6.6845 6.6964 6.6964 11.0950 11.0950 18.9399 18.9399 19.2239 19.2239 19.2546 19.2546 k = 0.0625-0.0361 0.0510 ( 717 PWs) bands (ev): -8.0549 -8.0549 6.4016 6.4016 6.6675 6.6675 6.6793 6.6793 11.1700 11.1700 18.8877 18.8877 19.2464 19.2464 19.2772 19.2772 k = 0.0694-0.0401 0.0567 ( 709 PWs) bands (ev): -8.0374 -8.0374 6.3281 6.3281 6.6488 6.6488 6.6605 6.6605 11.2503 11.2503 18.8306 18.8306 19.2715 19.2715 19.3024 19.3024 k = 0.0764-0.0441 0.0624 ( 709 PWs) bands (ev): -8.0181 -8.0181 6.2498 6.2498 6.6282 6.6282 6.6398 6.6398 11.3353 11.3353 18.7690 18.7690 19.2992 19.2992 19.3300 19.3300 k = 0.0833-0.0481 0.0680 ( 709 PWs) bands (ev): -7.9970 -7.9970 6.1677 6.1677 6.6060 6.6060 6.6175 6.6175 11.4240 11.4240 18.7032 18.7032 19.3292 19.3292 19.3599 19.3599 k = 0.0903-0.0521 0.0737 ( 709 PWs) bands (ev): -7.9741 -7.9741 6.0821 6.0821 6.5822 6.5822 6.5935 6.5935 11.5157 11.5157 18.6338 18.6338 19.3617 19.3617 19.3921 19.3921 k = 0.0972-0.0561 0.0794 ( 697 PWs) bands (ev): -7.9495 -7.9495 5.9938 5.9938 6.5571 6.5571 6.5682 6.5682 11.6097 11.6097 18.5611 18.5611 19.3964 19.3964 19.4266 19.4266 k = 0.1042-0.0601 0.0851 ( 697 PWs) bands (ev): -7.9232 -7.9232 5.9028 5.9028 6.5303 6.5303 6.5413 6.5413 11.7051 11.7051 18.4856 18.4856 19.4333 19.4333 19.4632 19.4632 k = 0.1111-0.0642 0.0907 ( 697 PWs) bands (ev): -7.8951 -7.8951 5.8098 5.8098 6.5022 6.5022 6.5129 6.5129 11.8012 11.8012 18.4076 18.4076 19.4723 19.4723 19.5019 19.5019 k = 0.1181-0.0682 0.0964 ( 697 PWs) bands (ev): -7.8654 -7.8654 5.7152 5.7152 6.4727 6.4727 6.4833 6.4833 11.8974 11.8974 18.3276 18.3276 19.5133 19.5133 19.5426 19.5426 k = 0.1250-0.0722 0.1021 ( 697 PWs) bands (ev): -7.8341 -7.8341 5.6193 5.6193 6.4421 6.4421 6.4524 6.4524 11.9927 11.9927 18.2460 18.2460 19.5563 19.5563 19.5852 19.5852 k = 0.1319-0.0762 0.1077 ( 697 PWs) bands (ev): -7.8011 -7.8011 5.5223 5.5223 6.4103 6.4103 6.4204 6.4204 12.0865 12.0865 18.1632 18.1632 19.6011 19.6011 19.6297 19.6297 k = 0.1389-0.0802 0.1134 ( 697 PWs) bands (ev): -7.7665 -7.7665 5.4245 5.4245 6.3776 6.3776 6.3874 6.3874 12.1778 12.1778 18.0797 18.0797 19.6478 19.6478 19.6759 19.6759 k = 0.1458-0.0842 0.1191 ( 697 PWs) bands (ev): -7.7303 -7.7303 5.3261 5.3261 6.3438 6.3438 6.3534 6.3534 12.2660 12.2660 17.9959 17.9959 19.6961 19.6961 19.7238 19.7238 k = 0.1528-0.0882 0.1247 ( 693 PWs) bands (ev): -7.6926 -7.6926 5.2274 5.2274 6.3092 6.3092 6.3186 6.3186 12.3502 12.3502 17.9122 17.9122 19.6685 19.6685 19.7462 19.7462 k = 0.1597-0.0922 0.1304 ( 693 PWs) bands (ev): -7.6534 -7.6534 5.1285 5.1285 6.2739 6.2739 6.2830 6.2830 12.4293 12.4293 17.8291 17.8291 19.4792 19.4792 19.7976 19.7976 k = 0.1667-0.0962 0.1361 ( 693 PWs) bands (ev): -7.6128 -7.6128 5.0295 5.0295 6.2379 6.2379 6.2467 6.2467 12.5025 12.5025 17.7471 17.7471 19.2987 19.2987 19.8506 19.8506 k = 0.1736-0.1002 0.1418 ( 693 PWs) bands (ev): -7.5707 -7.5707 4.9307 4.9307 6.2012 6.2012 6.2099 6.2099 12.5687 12.5687 17.6664 17.6664 19.1276 19.1276 19.9050 19.9050 k = 0.1806-0.1042 0.1474 ( 697 PWs) bands (ev): -7.5272 -7.5272 4.8319 4.8319 6.1641 6.1641 6.1725 6.1725 12.6271 12.6271 17.5876 17.5876 18.9667 18.9667 19.9606 19.9606 k = 0.1875-0.1083 0.1531 ( 697 PWs) bands (ev): -7.4824 -7.4824 4.7337 4.7337 6.1265 6.1265 6.1346 6.1346 12.6767 12.6767 17.5108 17.5108 18.8170 18.8170 20.0175 20.0175 k = 0.1944-0.1123 0.1588 ( 697 PWs) bands (ev): -7.4363 -7.4363 4.6360 4.6360 6.0886 6.0886 6.0965 6.0965 12.7167 12.7167 17.4361 17.4361 18.6792 18.6792 20.0756 20.0756 k = 0.2014-0.1163 0.1644 ( 693 PWs) bands (ev): -7.3890 -7.3890 4.5388 4.5388 6.0505 6.0505 6.0581 6.0581 12.7462 12.7462 17.3635 17.3635 18.5545 18.5545 20.1347 20.1347 k = 0.2083-0.1203 0.1701 ( 697 PWs) bands (ev): -7.3405 -7.3405 4.4423 4.4423 6.0121 6.0121 6.0195 6.0195 12.7645 12.7645 17.2927 17.2927 18.4439 18.4439 20.1948 20.1948 k = 0.2153-0.1243 0.1758 ( 697 PWs) bands (ev): -7.2909 -7.2909 4.3465 4.3465 5.9737 5.9737 5.9808 5.9808 12.7711 12.7711 17.2232 17.2232 18.3484 18.3484 20.2558 20.2558 k = 0.2222-0.1283 0.1814 ( 697 PWs) bands (ev): -7.2402 -7.2402 4.2515 4.2515 5.9352 5.9352 5.9421 5.9421 12.7657 12.7657 17.1543 17.1543 18.2692 18.2692 20.3177 20.3177 k = 0.2292-0.1323 0.1871 ( 705 PWs) bands (ev): -7.1885 -7.1885 4.1573 4.1573 5.8967 5.8967 5.9033 5.9033 12.7483 12.7483 17.0853 17.0853 18.2070 18.2070 20.3802 20.3802 k = 0.2361-0.1363 0.1928 ( 713 PWs) bands (ev): -7.1359 -7.1359 4.0640 4.0640 5.8584 5.8584 5.8648 5.8648 12.7190 12.7190 17.0156 17.0156 18.1624 18.1624 20.4435 20.4435 k = 0.2431-0.1403 0.1985 ( 713 PWs) bands (ev): -7.0824 -7.0824 3.9719 3.9719 5.8203 5.8203 5.8265 5.8265 12.6784 12.6784 16.9447 16.9447 18.1353 18.1353 20.5073 20.5073 k = 0.2500-0.1443 0.2041 ( 713 PWs) bands (ev): -7.0281 -7.0281 3.8808 3.8808 5.7825 5.7825 5.7884 5.7884 12.6271 12.6271 16.8727 16.8727 18.1254 18.1254 20.5717 20.5717 k = 0.2569-0.1483 0.2098 ( 713 PWs) bands (ev): -6.9731 -6.9731 3.7908 3.7908 5.7450 5.7450 5.7507 5.7507 12.5659 12.5659 16.7996 16.7996 18.1316 18.1316 20.6364 20.6364 k = 0.2639-0.1524 0.2155 ( 713 PWs) bands (ev): -6.9175 -6.9175 3.7021 3.7021 5.7079 5.7079 5.7133 5.7133 12.4958 12.4958 16.7257 16.7257 18.1526 18.1526 20.7015 20.7015 k = 0.2708-0.1564 0.2211 ( 709 PWs) bands (ev): -6.8613 -6.8613 3.6146 3.6146 5.6712 5.6712 5.6765 5.6765 12.4177 12.4177 16.6515 16.6515 18.1873 18.1873 20.7668 20.7668 k = 0.2778-0.1604 0.2268 ( 709 PWs) bands (ev): -6.8047 -6.8047 3.5283 3.5283 5.6351 5.6351 5.6401 5.6401 12.3329 12.3329 16.5775 16.5775 18.2337 18.2337 20.8322 20.8322 k = 0.2847-0.1644 0.2325 ( 709 PWs) bands (ev): -6.7477 -6.7477 3.4434 3.4434 5.5996 5.5996 5.6043 5.6043 12.2423 12.2423 16.5040 16.5040 18.2905 18.2905 20.8977 20.8977 k = 0.2917-0.1684 0.2381 ( 709 PWs) bands (ev): -6.6904 -6.6904 3.3599 3.3599 5.5646 5.5646 5.5692 5.5692 12.1470 12.1470 16.4314 16.4314 18.3563 18.3563 20.9631 20.9631 k = 0.2986-0.1724 0.2438 ( 709 PWs) bands (ev): -6.6330 -6.6330 3.2778 3.2778 5.5304 5.5304 5.5347 5.5347 12.0480 12.0480 16.3601 16.3601 18.4297 18.4297 21.0283 21.0283 k = 0.3056-0.1764 0.2495 ( 709 PWs) bands (ev): -6.5756 -6.5756 3.1973 3.1973 5.4968 5.4968 5.5010 5.5010 11.9463 11.9463 16.2903 16.2903 18.5095 18.5095 21.0933 21.0933 k = 0.3125-0.1804 0.2552 ( 709 PWs) bands (ev): -6.5182 -6.5182 3.1183 3.1183 5.4641 5.4641 5.4680 5.4680 11.8427 11.8427 16.2222 16.2222 18.5946 18.5946 21.1578 21.1578 k = 0.3194-0.1844 0.2608 ( 709 PWs) bands (ev): -6.4610 -6.4610 3.0410 3.0410 5.4321 5.4321 5.4359 5.4359 11.7381 11.7381 16.1559 16.1559 18.6839 18.6839 21.2218 21.2218 k = 0.3264-0.1884 0.2665 ( 709 PWs) bands (ev): -6.4041 -6.4041 2.9654 2.9654 5.4011 5.4011 5.4046 5.4046 11.6332 11.6332 16.0917 16.0917 18.7766 18.7766 21.2852 21.2852 k = 0.3333-0.1925 0.2722 ( 717 PWs) bands (ev): -6.3477 -6.3477 2.8915 2.8915 5.3708 5.3708 5.3742 5.3742 11.5285 11.5285 16.0295 16.0295 18.8717 18.8717 21.3478 21.3478 k = 0.3403-0.1965 0.2778 ( 713 PWs) bands (ev): -6.2918 -6.2918 2.8196 2.8196 5.3416 5.3416 5.3448 5.3448 11.4248 11.4248 15.9696 15.9696 18.9688 18.9688 21.4095 21.4095 k = 0.3472-0.2005 0.2835 ( 705 PWs) bands (ev): -6.2367 -6.2367 2.7495 2.7495 5.3135 5.3135 5.3165 5.3165 11.3226 11.3226 15.9119 15.9119 19.0667 19.0667 21.4704 21.4704 k = 0.3542-0.2045 0.2892 ( 701 PWs) bands (ev): -6.1824 -6.1824 2.6816 2.6816 5.2863 5.2863 5.2891 5.2891 11.2223 11.2223 15.8565 15.8565 19.1651 19.1651 21.5299 21.5299 k = 0.3611-0.2085 0.2948 ( 701 PWs) bands (ev): -6.1292 -6.1292 2.6157 2.6157 5.2601 5.2601 5.2628 5.2628 11.1245 11.1245 15.8035 15.8035 19.2631 19.2631 21.5881 21.5881 k = 0.3681-0.2125 0.3005 ( 701 PWs) bands (ev): -6.0771 -6.0771 2.5520 2.5520 5.2351 5.2351 5.2375 5.2375 11.0294 11.0294 15.7529 15.7529 19.3602 19.3602 21.6448 21.6448 k = 0.3750-0.2165 0.3062 ( 701 PWs) bands (ev): -6.0263 -6.0263 2.4906 2.4906 5.2111 5.2111 5.2134 5.2134 10.9374 10.9374 15.7047 15.7047 19.4560 19.4560 21.6999 21.6999 k = 0.3819-0.2205 0.3119 ( 701 PWs) bands (ev): -5.9770 -5.9770 2.4317 2.4317 5.1883 5.1883 5.1905 5.1905 10.8490 10.8490 15.6591 15.6591 19.5499 19.5499 21.7533 21.7533 k = 0.3889-0.2245 0.3175 ( 700 PWs) bands (ev): -5.9294 -5.9294 2.3752 2.3752 5.1666 5.1666 5.1687 5.1687 10.7642 10.7642 15.6159 15.6159 19.6414 19.6414 21.8047 21.8047 k = 0.3958-0.2285 0.3232 ( 700 PWs) bands (ev): -5.8836 -5.8836 2.3214 2.3214 5.1462 5.1462 5.1481 5.1481 10.6835 10.6835 15.5752 15.5752 19.7300 19.7300 21.8540 21.8540 k = 0.4028-0.2325 0.3289 ( 700 PWs) bands (ev): -5.8397 -5.8397 2.2704 2.2704 5.1269 5.1269 5.1287 5.1287 10.6070 10.6070 15.5371 15.5371 19.8154 19.8154 21.9011 21.9011 k = 0.4097-0.2366 0.3345 ( 700 PWs) bands (ev): -5.7980 -5.7980 2.2222 2.2222 5.1089 5.1089 5.1105 5.1105 10.5350 10.5350 15.5015 15.5015 19.8969 19.8969 21.9458 21.9458 k = 0.4167-0.2406 0.3402 ( 708 PWs) bands (ev): -5.7586 -5.7586 2.1768 2.1768 5.0922 5.0922 5.0936 5.0936 10.4676 10.4676 15.4685 15.4685 19.9740 19.9740 21.9879 21.9879 k = 0.4236-0.2446 0.3459 ( 708 PWs) bands (ev): -5.7216 -5.7216 2.1347 2.1347 5.0767 5.0767 5.0781 5.0781 10.4051 10.4051 15.4381 15.4381 20.0468 20.0468 22.0274 22.0274 k = 0.4306-0.2486 0.3515 ( 708 PWs) bands (ev): -5.6872 -5.6872 2.0957 2.0957 5.0626 5.0626 5.0638 5.0638 10.3475 10.3475 15.4103 15.4103 20.1148 20.1148 22.0639 22.0639 k = 0.4375-0.2526 0.3572 ( 708 PWs) bands (ev): -5.6556 -5.6556 2.0601 2.0601 5.0497 5.0497 5.0508 5.0508 10.2950 10.2950 15.3851 15.3851 20.1774 20.1774 22.0975 22.0975 k = 0.4444-0.2566 0.3629 ( 708 PWs) bands (ev): -5.6269 -5.6269 2.0279 2.0279 5.0382 5.0382 5.0391 5.0391 10.2478 10.2478 15.3625 15.3625 20.2345 20.2345 22.1280 22.1280 k = 0.4514-0.2606 0.3686 ( 708 PWs) bands (ev): -5.6013 -5.6013 1.9992 1.9992 5.0280 5.0280 5.0288 5.0288 10.2058 10.2058 15.3426 15.3426 20.2856 20.2856 22.1551 22.1551 k = 0.4583-0.2646 0.3742 ( 708 PWs) bands (ev): -5.5788 -5.5788 1.9741 1.9741 5.0191 5.0191 5.0198 5.0198 10.1693 10.1693 15.3253 15.3253 20.3305 20.3305 22.1790 22.1790 k = 0.4653-0.2686 0.3799 ( 708 PWs) bands (ev): -5.5596 -5.5596 1.9528 1.9528 5.0116 5.0116 5.0122 5.0122 10.1383 10.1383 15.3107 15.3107 20.3690 20.3690 22.1993 22.1993 k = 0.4722-0.2726 0.3856 ( 708 PWs) bands (ev): -5.5437 -5.5437 1.9352 1.9352 5.0055 5.0055 5.0060 5.0060 10.1128 10.1128 15.2987 15.2987 20.4007 20.4007 22.2161 22.2161 k = 0.4792-0.2766 0.3912 ( 708 PWs) bands (ev): -5.5313 -5.5313 1.9215 1.9215 5.0007 5.0007 5.0011 5.0011 10.0930 10.0930 15.2894 15.2894 20.4257 20.4257 22.2292 22.2292 k = 0.4861-0.2807 0.3969 ( 708 PWs) bands (ev): -5.5223 -5.5223 1.9116 1.9116 4.9974 4.9974 4.9976 4.9976 10.0788 10.0788 15.2827 15.2827 20.4436 20.4436 22.2386 22.2386 k = 0.4931-0.2847 0.4026 ( 700 PWs) bands (ev): -5.5170 -5.5170 1.9057 1.9057 4.9954 4.9954 4.9956 4.9956 10.0702 10.0702 15.2787 15.2787 20.4544 20.4544 22.2444 22.2444 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -5.5152 -5.5152 1.9038 1.9038 4.9949 4.9949 4.9949 4.9949 10.0674 10.0674 15.2774 15.2774 20.4582 20.4582 22.2465 22.2465 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -5.5152 -5.5152 1.9038 1.9038 4.9949 4.9949 4.9949 4.9949 10.0674 10.0674 15.2774 15.2774 20.4582 20.4582 22.2465 22.2465 k = 0.5000-0.2807 0.4139 ( 700 PWs) bands (ev): -5.5151 -5.5150 1.9048 1.9048 4.9922 4.9926 4.9927 4.9929 10.0719 10.0721 15.2809 15.2810 20.4564 20.4565 22.2409 22.2421 k = 0.5000-0.2726 0.4196 ( 704 PWs) bands (ev): -5.5149 -5.5146 1.9079 1.9079 4.9852 4.9860 4.9861 4.9866 10.0856 10.0861 15.2915 15.2916 20.4515 20.4515 22.2200 22.2222 k = 0.5000-0.2646 0.4253 ( 708 PWs) bands (ev): -5.5145 -5.5140 1.9131 1.9132 4.9739 4.9750 4.9752 4.9760 10.1084 10.1091 15.3092 15.3092 20.4434 20.4434 22.1842 22.1872 k = 0.5000-0.2566 0.4309 ( 708 PWs) bands (ev): -5.5139 -5.5133 1.9204 1.9205 4.9585 4.9599 4.9601 4.9613 10.1401 10.1411 15.3337 15.3338 20.4321 20.4321 22.1345 22.1384 k = 0.5000-0.2486 0.4366 ( 708 PWs) bands (ev): -5.5130 -5.5123 1.9298 1.9300 4.9392 4.9407 4.9409 4.9426 10.1805 10.1817 15.3652 15.3653 20.4176 20.4176 22.0717 22.0765 k = 0.5000-0.2406 0.4423 ( 712 PWs) bands (ev): -5.5120 -5.5112 1.9413 1.9415 4.9160 4.9174 4.9178 4.9202 10.2291 10.2305 15.4033 15.4034 20.3999 20.3999 21.9963 22.0020 k = 0.5000-0.2325 0.4479 ( 712 PWs) bands (ev): -5.5109 -5.5098 1.9549 1.9551 4.8893 4.8902 4.8910 4.8944 10.2858 10.2873 15.4479 15.4480 20.3790 20.3790 21.9094 21.9159 k = 0.5000-0.2245 0.4536 ( 712 PWs) bands (ev): -5.5095 -5.5083 1.9705 1.9707 4.8586 4.8592 4.8615 4.8657 10.3499 10.3516 15.4989 15.4990 20.3549 20.3550 21.8117 21.8190 k = 0.5000-0.2165 0.4593 ( 716 PWs) bands (ev): -5.5080 -5.5067 1.9881 1.9884 4.8240 4.8245 4.8296 4.8344 10.4212 10.4230 15.5560 15.5561 20.3277 20.3278 21.7041 21.7122 k = 0.5000-0.2085 0.4649 ( 716 PWs) bands (ev): -5.5064 -5.5049 2.0078 2.0082 4.7859 4.7865 4.7955 4.8008 10.4990 10.5009 15.6189 15.6191 20.2973 20.2974 21.5876 21.5964 k = 0.5000-0.2005 0.4706 ( 716 PWs) bands (ev): -5.5046 -5.5030 2.0295 2.0299 4.7446 4.7452 4.7597 4.7654 10.5829 10.5849 15.6876 15.6877 20.2638 20.2640 21.4632 21.4726 k = 0.5000-0.1925 0.4763 ( 716 PWs) bands (ev): -5.5027 -5.5009 2.0532 2.0536 4.7002 4.7008 4.7224 4.7285 10.6724 10.6744 15.7616 15.7617 20.2271 20.2274 21.3317 21.3417 k = 0.5000-0.1844 0.4820 ( 716 PWs) bands (ev): -5.5007 -5.4988 2.0789 2.0794 4.6529 4.6536 4.6840 4.6905 10.7670 10.7690 15.8406 15.8408 20.1874 20.1877 21.1941 21.2047 k = 0.5000-0.1764 0.4876 ( 716 PWs) bands (ev): -5.4986 -5.4966 2.1066 2.1070 4.6029 4.6037 4.6449 4.6518 10.8660 10.8680 15.9244 15.9246 20.1445 20.1450 21.0514 21.0626 k = 0.5000-0.1684 0.4933 ( 710 PWs) bands (ev): -5.4964 -5.4943 2.1361 2.1367 4.5506 4.5514 4.6054 4.6126 10.9690 10.9710 16.0128 16.0129 20.0985 20.0991 20.9046 20.9163 k = 0.5000-0.1604 0.4990 ( 710 PWs) bands (ev): -5.4941 -5.4919 2.1676 2.1682 4.4960 4.4969 4.5658 4.5733 11.0754 11.0774 16.1052 16.1053 20.0495 20.0502 20.7544 20.7666 k = 0.5000-0.1524 0.5046 ( 710 PWs) bands (ev): -5.4919 -5.4895 2.2009 2.2015 4.4394 4.4404 4.5264 4.5342 11.1846 11.1864 16.2014 16.2016 19.9973 19.9982 20.6018 20.6146 k = 0.5000-0.1443 0.5103 ( 708 PWs) bands (ev): -5.4896 -5.4871 2.2360 2.2367 4.3810 4.3820 4.4876 4.4956 11.2960 11.2977 16.3012 16.3013 19.9421 19.9431 20.4478 20.4610 k = 0.5000-0.1363 0.5160 ( 712 PWs) bands (ev): -5.4872 -5.4847 2.2729 2.2737 4.3210 4.3221 4.4493 4.4577 11.4089 11.4105 16.4040 16.4041 19.8838 19.8850 20.2931 20.3068 k = 0.5000-0.1283 0.5217 ( 712 PWs) bands (ev): -5.4850 -5.4823 2.3116 2.3124 4.2597 4.2609 4.4122 4.4208 11.5228 11.5242 16.5096 16.5097 19.8225 19.8238 20.1388 20.1529 k = 0.5000-0.1203 0.5273 ( 712 PWs) bands (ev): -5.4827 -5.4799 2.3519 2.3528 4.1973 4.1986 4.3763 4.3850 11.6369 11.6381 16.6177 16.6177 19.7581 19.7596 19.9857 20.0002 k = 0.5000-0.1123 0.5330 ( 712 PWs) bands (ev): -5.4805 -5.4776 2.3939 2.3949 4.1339 4.1353 4.3418 4.3508 11.7505 11.7515 16.7277 16.7278 19.6908 19.6925 19.8348 19.8498 k = 0.5000-0.1042 0.5387 ( 708 PWs) bands (ev): -5.4783 -5.4753 2.4374 2.4385 4.0698 4.0713 4.3090 4.3181 11.8629 11.8636 16.8394 16.8396 19.6205 19.6224 19.6871 19.7025 k = 0.5000-0.0962 0.5443 ( 708 PWs) bands (ev): -5.4762 -5.4732 2.4823 2.4836 4.0052 4.0068 4.2780 4.2873 11.9731 11.9736 16.9524 16.9527 19.5422 19.5487 19.5491 19.5597 k = 0.5000-0.0882 0.5500 ( 708 PWs) bands (ev): -5.4743 -5.4711 2.5287 2.5300 3.9404 3.9421 4.2488 4.2583 12.0803 12.0806 17.0662 17.0666 19.4049 19.4211 19.4717 19.4741 k = 0.5000-0.0802 0.5557 ( 712 PWs) bands (ev): -5.4724 -5.4692 2.5762 2.5777 3.8754 3.8773 4.2218 4.2314 12.1835 12.1835 17.1803 17.1809 19.2727 19.2893 19.3932 19.3958 k = 0.5000-0.0722 0.5613 ( 712 PWs) bands (ev): -5.4707 -5.4674 2.6248 2.6265 3.8107 3.8128 4.1970 4.2067 12.2815 12.2818 17.2944 17.2952 19.1479 19.1650 19.3123 19.3152 k = 0.5000-0.0642 0.5670 ( 712 PWs) bands (ev): -5.4691 -5.4658 2.6742 2.6761 3.7466 3.7489 4.1745 4.1843 12.3735 12.3740 17.4079 17.4089 19.0317 19.0491 19.2293 19.2325 k = 0.5000-0.0561 0.5727 ( 712 PWs) bands (ev): -5.4677 -5.4643 2.7241 2.7264 3.6834 3.6860 4.1545 4.1644 12.4583 12.4591 17.5200 17.5214 18.9252 18.9430 19.1445 19.1481 k = 0.5000-0.0481 0.5784 ( 712 PWs) bands (ev): -5.4664 -5.4630 2.7741 2.7767 3.6217 3.6246 4.1369 4.1469 12.5348 12.5359 17.6300 17.6317 18.8298 18.8479 19.0587 19.0627 k = 0.5000-0.0401 0.5840 ( 712 PWs) bands (ev): -5.4653 -5.4618 2.8235 2.8265 3.5621 3.5655 4.1219 4.1320 12.6020 12.6033 17.7366 17.7388 18.7464 18.7649 18.9727 18.9773 k = 0.5000-0.0321 0.5897 ( 712 PWs) bands (ev): -5.4644 -5.4609 2.8712 2.8748 3.5058 3.5098 4.1096 4.1197 12.6587 12.6602 17.8379 17.8407 18.6764 18.6951 18.8882 18.8935 k = 0.5000-0.0241 0.5954 ( 704 PWs) bands (ev): -5.4637 -5.4602 2.9154 2.9197 3.4547 3.4594 4.1000 4.1102 12.7039 12.7057 17.9309 17.9346 18.6208 18.6397 18.8083 18.8145 k = 0.5000-0.0160 0.6010 ( 704 PWs) bands (ev): -5.4632 -5.4596 2.9530 2.9580 3.4118 3.4172 4.0931 4.1033 12.7369 12.7388 18.0100 18.0148 18.5803 18.5994 18.7380 18.7453 k = 0.5000-0.0080 0.6067 ( 700 PWs) bands (ev): -5.4629 -5.4593 2.9794 2.9851 3.3820 3.3882 4.0890 4.0992 12.7571 12.7590 18.0660 18.0719 18.5558 18.5750 18.6869 18.6953 k = 0.5000-0.0000 0.6124 ( 700 PWs) bands (ev): -5.4628 -5.4592 2.9891 2.9951 3.3711 3.3776 4.0876 4.0978 12.7638 12.7658 18.0869 18.0932 18.5476 18.5668 18.6676 18.6765 k = 0.5000-0.0000 0.6124 ( 700 PWs) bands (ev): -5.4628 -5.4592 2.9891 2.9951 3.3711 3.3776 4.0876 4.0978 12.7638 12.7658 18.0869 18.0932 18.5476 18.5668 18.6676 18.6765 k = 0.4952 0.0083 0.6124 ( 700 PWs) bands (ev): -5.4631 -5.4596 2.9835 2.9895 3.3741 3.3804 4.0927 4.1029 12.7612 12.7632 18.0698 18.0761 18.5469 18.5634 18.6913 18.6974 k = 0.4904 0.0167 0.6124 ( 704 PWs) bands (ev): -5.4643 -5.4607 2.9688 2.9744 3.3802 3.3860 4.1086 4.1186 12.7533 12.7553 18.0199 18.0260 18.5632 18.5772 18.7371 18.7405 k = 0.4856 0.0250 0.6124 ( 704 PWs) bands (ev): -5.4660 -5.4625 2.9477 2.9529 3.3859 3.3910 4.1360 4.1457 12.7402 12.7421 17.9469 17.9527 18.6013 18.6140 18.7901 18.7920 k = 0.4808 0.0333 0.6124 ( 706 PWs) bands (ev): -5.4684 -5.4649 2.9228 2.9275 3.3884 3.3928 4.1745 4.1838 12.7217 12.7235 17.8617 17.8671 18.6547 18.6666 18.8470 18.8477 k = 0.4760 0.0416 0.6124 ( 710 PWs) bands (ev): -5.4712 -5.4677 2.8956 2.8999 3.3868 3.3906 4.2232 4.2320 12.6980 12.6997 17.7713 17.7763 18.7180 18.7291 18.9060 18.9064 k = 0.4712 0.0500 0.6124 ( 710 PWs) bands (ev): -5.4745 -5.4710 2.8674 2.8714 3.3810 3.3845 4.2805 4.2889 12.6692 12.6708 17.6799 17.6846 18.7878 18.7980 18.9665 18.9680 k = 0.4663 0.0583 0.6124 ( 710 PWs) bands (ev): -5.4780 -5.4746 2.8389 2.8427 3.3717 3.3750 4.3448 4.3527 12.6356 12.6371 17.5898 17.5942 18.8618 18.8707 19.0291 19.0321 k = 0.4615 0.0666 0.6124 ( 708 PWs) bands (ev): -5.4819 -5.4784 2.8108 2.8143 3.3597 3.3629 4.4145 4.4220 12.5975 12.5989 17.5025 17.5065 18.9377 18.9451 19.0946 19.0994 k = 0.4567 0.0749 0.6124 ( 708 PWs) bands (ev): -5.4859 -5.4825 2.7833 2.7866 3.3457 3.3490 4.4880 4.4950 12.5554 12.5566 17.4188 17.4225 19.0131 19.0185 19.1645 19.1715 k = 0.4519 0.0833 0.6124 ( 711 PWs) bands (ev): -5.4901 -5.4867 2.7567 2.7599 3.3304 3.3340 4.5638 4.5705 12.5096 12.5107 17.3393 17.3426 19.0850 19.0886 19.2407 19.2500 k = 0.4471 0.0916 0.6124 ( 711 PWs) bands (ev): -5.4943 -5.4909 2.7313 2.7342 3.3145 3.3182 4.6410 4.6473 12.4609 12.4619 17.2644 17.2675 19.1510 19.1536 19.3248 19.3361 k = 0.4423 0.0999 0.6124 ( 713 PWs) bands (ev): -5.4985 -5.4952 2.7070 2.7099 3.2985 3.3023 4.7185 4.7244 12.4098 12.4108 17.1944 17.1971 19.2106 19.2131 19.4168 19.4293 k = 0.4375 0.1083 0.6124 ( 713 PWs) bands (ev): -5.5027 -5.4994 2.6842 2.6870 3.2825 3.2866 4.7953 4.8009 12.3572 12.3581 17.1294 17.1319 19.2647 19.2673 19.5157 19.5288 k = 0.4327 0.1166 0.6124 ( 713 PWs) bands (ev): -5.5068 -5.5035 2.6628 2.6655 3.2671 3.2713 4.8706 4.8758 12.3037 12.3045 17.0695 17.0717 19.3139 19.3166 19.6199 19.6332 k = 0.4279 0.1249 0.6124 ( 713 PWs) bands (ev): -5.5107 -5.5075 2.6430 2.6455 3.2523 3.2566 4.9435 4.9483 12.2501 12.2510 17.0147 17.0167 19.3589 19.3616 19.7282 19.7415 k = 0.4231 0.1332 0.6124 ( 713 PWs) bands (ev): -5.5145 -5.5112 2.6247 2.6272 3.2384 3.2428 5.0133 5.0177 12.1974 12.1982 16.9651 16.9668 19.3999 19.4026 19.8397 19.8527 k = 0.4183 0.1416 0.6124 ( 709 PWs) bands (ev): -5.5180 -5.5148 2.6080 2.6105 3.2255 3.2300 5.0793 5.0833 12.1463 12.1472 16.9205 16.9220 19.4371 19.4397 19.9534 19.9660 k = 0.4135 0.1499 0.6124 ( 709 PWs) bands (ev): -5.5212 -5.5180 2.5931 2.5955 3.2137 3.2183 5.1405 5.1442 12.0978 12.0986 16.8809 16.8822 19.4704 19.4730 20.0682 20.0804 k = 0.4087 0.1582 0.6124 ( 710 PWs) bands (ev): -5.5241 -5.5210 2.5798 2.5821 3.2031 3.2078 5.1965 5.1998 12.0526 12.0534 16.8462 16.8473 19.5000 19.5024 20.1831 20.1948 k = 0.4038 0.1665 0.6124 ( 707 PWs) bands (ev): -5.5267 -5.5236 2.5682 2.5705 3.1939 3.1986 5.2466 5.2495 12.0116 12.0124 16.8163 16.8173 19.5257 19.5281 20.2968 20.3077 k = 0.3990 0.1749 0.6124 ( 707 PWs) bands (ev): -5.5289 -5.5259 2.5584 2.5607 3.1859 3.1907 5.2902 5.2926 11.9755 11.9762 16.7912 16.7920 19.5476 19.5499 20.4072 20.4172 k = 0.3942 0.1832 0.6124 ( 707 PWs) bands (ev): -5.5308 -5.5277 2.5503 2.5526 3.1793 3.1842 5.3266 5.3286 11.9449 11.9457 16.7708 16.7715 19.5655 19.5678 20.5117 20.5205 k = 0.3894 0.1915 0.6124 ( 711 PWs) bands (ev): -5.5323 -5.5292 2.5440 2.5463 3.1742 3.1791 5.3555 5.3569 11.9205 11.9212 16.7550 16.7555 19.5795 19.5817 20.6059 20.6132 k = 0.3846 0.1999 0.6124 ( 711 PWs) bands (ev): -5.5333 -5.5303 2.5396 2.5418 3.1705 3.1754 5.3765 5.3775 11.9028 11.9034 16.7438 16.7442 19.5895 19.5917 20.6838 20.6892 k = 0.3798 0.2082 0.6124 ( 706 PWs) bands (ev): -5.5340 -5.5309 2.5369 2.5391 3.1683 3.1732 5.3894 5.3899 11.8920 11.8926 16.7371 16.7374 19.5955 19.5977 20.7372 20.7401 k = 0.3750 0.2165 0.6124 ( 706 PWs) bands (ev): -5.5342 -5.5311 2.5360 2.5382 3.1676 3.1725 5.3939 5.3939 11.8884 11.8890 16.7349 16.7352 19.5975 19.5997 20.7572 20.7573 k = 0.3750 0.2165 0.6124 ( 706 PWs) bands (ev): -5.5342 -5.5311 2.5360 2.5382 3.1676 3.1725 5.3939 5.3939 11.8884 11.8890 16.7349 16.7352 19.5975 19.5997 20.7572 20.7573 k = 0.3701 0.2137 0.6043 ( 706 PWs) bands (ev): -5.5425 -5.5394 2.5762 2.5790 3.0973 3.1017 5.4234 5.4234 11.9899 11.9907 16.7724 16.7729 19.5415 19.5439 20.6692 20.6693 k = 0.3651 0.2108 0.5963 ( 710 PWs) bands (ev): -5.5521 -5.5490 2.6116 2.6152 3.0368 3.0404 5.4537 5.4537 12.0922 12.0932 16.8003 16.8011 19.4847 19.4872 20.5816 20.5817 k = 0.3602 0.2080 0.5882 ( 710 PWs) bands (ev): -5.5632 -5.5600 2.6373 2.6420 2.9913 2.9937 5.4846 5.4846 12.1953 12.1966 16.8186 16.8197 19.4273 19.4301 20.4947 20.4947 k = 0.3553 0.2051 0.5801 ( 710 PWs) bands (ev): -5.5757 -5.5725 2.6459 2.6520 2.9682 2.9692 5.5162 5.5162 12.2992 12.3007 16.8270 16.8284 19.3694 19.3723 20.4087 20.4087 k = 0.3503 0.2023 0.5721 ( 710 PWs) bands (ev): -5.5898 -5.5865 2.6334 2.6405 2.9718 2.9718 5.5484 5.5484 12.4039 12.4057 16.8258 16.8275 19.3110 19.3141 20.3238 20.3239 k = 0.3454 0.1994 0.5640 ( 710 PWs) bands (ev): -5.6055 -5.6023 2.6039 2.6113 2.9977 2.9981 5.5811 5.5811 12.5095 12.5114 16.8153 16.8174 19.2523 19.2554 20.2403 20.2404 k = 0.3405 0.1966 0.5560 ( 710 PWs) bands (ev): -5.6229 -5.6197 2.5655 2.5729 3.0388 3.0392 5.6143 5.6143 12.6158 12.6180 16.7960 16.7984 19.1933 19.1965 20.1584 20.1585 k = 0.3355 0.1937 0.5479 ( 710 PWs) bands (ev): -5.6421 -5.6388 2.5242 2.5315 3.0888 3.0892 5.6478 5.6479 12.7230 12.7254 16.7685 16.7713 19.1342 19.1374 20.0783 20.0784 k = 0.3306 0.1909 0.5399 ( 704 PWs) bands (ev): -5.6631 -5.6598 2.4835 2.4905 3.1446 3.1448 5.6818 5.6818 12.8310 12.8336 16.7336 16.7367 19.0751 19.0784 20.0002 20.0002 k = 0.3257 0.1880 0.5318 ( 708 PWs) bands (ev): -5.6859 -5.6827 2.4451 2.4519 3.2040 3.2041 5.7160 5.7160 12.9397 12.9425 16.6919 16.6953 19.0161 19.0194 19.9241 19.9242 k = 0.3207 0.1852 0.5237 ( 708 PWs) bands (ev): -5.7106 -5.7074 2.4100 2.4166 3.2663 3.2664 5.7504 5.7505 13.0491 13.0522 16.6443 16.6479 18.9573 18.9606 19.8505 19.8506 k = 0.3158 0.1823 0.5157 ( 708 PWs) bands (ev): -5.7372 -5.7341 2.3789 2.3853 3.3308 3.3310 5.7851 5.7851 13.1592 13.1624 16.5915 16.5954 18.8990 18.9021 19.7794 19.7795 k = 0.3109 0.1795 0.5076 ( 708 PWs) bands (ev): -5.7657 -5.7627 2.3523 2.3584 3.3971 3.3974 5.8199 5.8199 13.2698 13.2732 16.5342 16.5383 18.8412 18.8443 19.7111 19.7111 k = 0.3059 0.1766 0.4996 ( 704 PWs) bands (ev): -5.7962 -5.7932 2.3303 2.3362 3.4651 3.4655 5.8547 5.8547 13.3808 13.3844 16.4733 16.4776 18.7841 18.7871 19.6455 19.6456 k = 0.3010 0.1738 0.4915 ( 704 PWs) bands (ev): -5.8285 -5.8255 2.3132 2.3189 3.5345 3.5349 5.8895 5.8895 13.4920 13.4958 16.4095 16.4139 18.7279 18.7307 19.5830 19.5831 k = 0.2961 0.1709 0.4835 ( 704 PWs) bands (ev): -5.8627 -5.8598 2.3010 2.3064 3.6051 3.6056 5.9242 5.9242 13.6031 13.6070 16.3434 16.3480 18.6726 18.6754 19.5237 19.5237 k = 0.2911 0.1681 0.4754 ( 700 PWs) bands (ev): -5.8987 -5.8959 2.2939 2.2991 3.6768 3.6775 5.9588 5.9588 13.7138 13.7178 16.2761 16.2807 18.6186 18.6212 19.4676 19.4677 k = 0.2862 0.1652 0.4673 ( 700 PWs) bands (ev): -5.9365 -5.9338 2.2918 2.2968 3.7496 3.7504 5.9932 5.9932 13.8236 13.8278 16.2082 16.2128 18.5659 18.5682 19.4150 19.4150 k = 0.2812 0.1624 0.4593 ( 700 PWs) bands (ev): -5.9761 -5.9734 2.2949 2.2996 3.8232 3.8241 6.0273 6.0273 13.9319 13.9361 16.1409 16.1455 18.5145 18.5167 19.3659 19.3660 k = 0.2763 0.1595 0.4512 ( 700 PWs) bands (ev): -6.0173 -6.0147 2.3030 2.3075 3.8977 3.8986 6.0611 6.0611 14.0379 14.0421 16.0753 16.0797 18.4648 18.4668 19.3205 19.3206 k = 0.2714 0.1567 0.4432 ( 700 PWs) bands (ev): -6.0601 -6.0576 2.3162 2.3205 3.9728 3.9738 6.0944 6.0944 14.1403 14.1445 16.0128 16.0169 18.4168 18.4185 19.2789 19.2789 k = 0.2664 0.1538 0.4351 ( 702 PWs) bands (ev): -6.1044 -6.1020 2.3344 2.3385 4.0485 4.0496 6.1273 6.1273 14.2378 14.2417 15.9552 15.9590 18.3706 18.3721 19.2412 19.2412 k = 0.2615 0.1510 0.4270 ( 702 PWs) bands (ev): -6.1501 -6.1478 2.3576 2.3614 4.1248 4.1260 6.1597 6.1597 14.3280 14.3317 15.9049 15.9082 18.3265 18.3277 19.2074 19.2074 k = 0.2566 0.1481 0.4190 ( 708 PWs) bands (ev): -6.1971 -6.1950 2.3856 2.3892 4.2014 4.2027 6.1915 6.1915 14.4084 14.4115 15.8647 15.8673 18.2844 18.2853 19.1776 19.1776 k = 0.2516 0.1453 0.4109 ( 708 PWs) bands (ev): -6.2454 -6.2433 2.4185 2.4219 4.2784 4.2798 6.2227 6.2227 14.4757 14.4781 15.8382 15.8398 18.2446 18.2453 19.1519 19.1520 k = 0.2467 0.1424 0.4029 ( 708 PWs) bands (ev): -6.2947 -6.2927 2.4561 2.4592 4.3556 4.3571 6.2532 6.2532 14.5263 14.5279 15.8288 15.8293 18.2073 18.2077 19.1305 19.1305 k = 0.2418 0.1396 0.3948 ( 708 PWs) bands (ev): -6.3450 -6.3432 2.4983 2.5012 4.4330 4.4346 6.2829 6.2829 14.5574 14.5579 15.8388 15.8397 18.1725 18.1725 19.1133 19.1133 k = 0.2368 0.1367 0.3868 ( 706 PWs) bands (ev): -6.3963 -6.3945 2.5451 2.5478 4.5104 4.5121 6.3119 6.3119 14.5668 14.5674 15.8698 15.8721 18.1400 18.1403 19.1003 19.1003 k = 0.2319 0.1339 0.3787 ( 710 PWs) bands (ev): -6.4483 -6.4466 2.5962 2.5987 4.5878 4.5895 6.3400 6.3401 14.5551 14.5567 15.9219 15.9255 18.1103 18.1109 19.0916 19.0916 k = 0.2270 0.1310 0.3706 ( 710 PWs) bands (ev): -6.5009 -6.4993 2.6516 2.6539 4.6651 4.6669 6.3673 6.3673 14.5254 14.5278 15.9926 15.9974 18.0835 18.0845 19.0871 19.0871 k = 0.2220 0.1282 0.3626 ( 710 PWs) bands (ev): -6.5541 -6.5526 2.7112 2.7133 4.7421 4.7440 6.3937 6.3937 14.4808 14.4839 16.0788 16.0847 18.0597 18.0611 19.0869 19.0869 k = 0.2171 0.1253 0.3545 ( 704 PWs) bands (ev): -6.6077 -6.6063 2.7749 2.7767 4.8188 4.8208 6.4192 6.4192 14.4245 14.4280 16.1772 16.1840 18.0392 18.0409 19.0908 19.0908 k = 0.2122 0.1225 0.3465 ( 710 PWs) bands (ev): -6.6616 -6.6603 2.8424 2.8440 4.8950 4.8971 6.4437 6.4437 14.3589 14.3628 16.2850 16.2925 18.0218 18.0240 19.0988 19.0988 k = 0.2072 0.1196 0.3384 ( 710 PWs) bands (ev): -6.7157 -6.7145 2.9137 2.9151 4.9708 4.9729 6.4671 6.4672 14.2865 14.2907 16.3997 16.4079 18.0080 18.0107 19.1108 19.1108 k = 0.2023 0.1168 0.3304 ( 710 PWs) bands (ev): -6.7699 -6.7687 2.9887 2.9899 5.0459 5.0481 6.4896 6.4896 14.2088 14.2131 16.5196 16.5285 17.9980 18.0011 19.1267 19.1267 k = 0.1974 0.1140 0.3223 ( 702 PWs) bands (ev): -6.8240 -6.8230 3.0673 3.0683 5.1203 5.1226 6.5111 6.5111 14.1270 14.1314 16.6433 16.6527 17.9918 17.9954 19.1462 19.1462 k = 0.1924 0.1111 0.3142 ( 706 PWs) bands (ev): -6.8781 -6.8771 3.1492 3.1500 5.1939 5.1963 6.5314 6.5314 14.0419 14.0463 16.7692 16.7793 17.9898 17.9940 19.1690 19.1690 k = 0.1875 0.1083 0.3062 ( 714 PWs) bands (ev): -6.9319 -6.9309 3.2343 3.2350 5.2665 5.2690 6.5505 6.5506 13.9541 13.9585 16.8964 16.9071 17.9922 17.9969 19.1949 19.1950 k = 0.1826 0.1054 0.2981 ( 710 PWs) bands (ev): -6.9853 -6.9845 3.3226 3.3231 5.3382 5.3407 6.5689 6.5689 13.8643 13.8686 17.0238 17.0349 17.9998 18.0050 19.2236 19.2236 k = 0.1776 0.1026 0.2901 ( 710 PWs) bands (ev): -7.0384 -7.0376 3.4138 3.4142 5.4088 5.4114 6.5861 6.5861 13.7727 13.7769 17.1499 17.1617 18.0129 18.0188 19.2544 19.2544 k = 0.1727 0.0997 0.2820 ( 710 PWs) bands (ev): -7.0909 -7.0902 3.5079 3.5081 5.4783 5.4809 6.6023 6.6023 13.6796 13.6838 17.2735 17.2858 18.0326 18.0390 19.2869 19.2869 k = 0.1678 0.0969 0.2740 ( 710 PWs) bands (ev): -7.1428 -7.1421 3.6047 3.6047 5.5464 5.5491 6.6175 6.6175 13.5853 13.5894 17.3929 17.4055 18.0601 18.0669 19.3202 19.3203 k = 0.1628 0.0940 0.2659 ( 710 PWs) bands (ev): -7.1940 -7.1934 3.7039 3.7040 5.6133 5.6160 6.6317 6.6317 13.4899 13.4938 17.5058 17.5187 18.0970 18.1040 19.3537 19.3537 k = 0.1579 0.0912 0.2578 ( 702 PWs) bands (ev): -7.2445 -7.2439 3.8055 3.8058 5.6787 5.6815 6.6449 6.6450 13.3936 13.3974 17.6101 17.6227 18.1452 18.1521 19.3864 19.3864 k = 0.1530 0.0883 0.2498 ( 702 PWs) bands (ev): -7.2941 -7.2936 3.9093 3.9097 5.7426 5.7454 6.6571 6.6572 13.2964 13.3001 17.7037 17.7155 18.2063 18.2124 19.4172 19.4172 k = 0.1480 0.0855 0.2417 ( 698 PWs) bands (ev): -7.3427 -7.3423 4.0153 4.0158 5.8050 5.8078 6.6684 6.6685 13.1985 13.2020 17.7857 17.7961 18.2804 18.2852 19.4451 19.4451 k = 0.1431 0.0826 0.2337 ( 698 PWs) bands (ev): -7.3904 -7.3900 4.1231 4.1237 5.8657 5.8686 6.6788 6.6788 13.0999 13.1033 17.8570 17.8657 18.3656 18.3687 19.4690 19.4691 k = 0.1382 0.0798 0.2256 ( 698 PWs) bands (ev): -7.4370 -7.4367 4.2327 4.2334 5.9248 5.9276 6.6883 6.6883 13.0007 13.0039 17.9200 17.9269 18.4586 18.4600 19.4881 19.4882 k = 0.1332 0.0769 0.2176 ( 698 PWs) bands (ev): -7.4825 -7.4822 4.3439 4.3447 5.9820 5.9849 6.6970 6.6970 12.9009 12.9039 17.9772 17.9825 18.5554 18.5555 19.5017 19.5018 k = 0.1283 0.0741 0.2095 ( 694 PWs) bands (ev): -7.5268 -7.5266 4.4565 4.4574 6.0375 6.0403 6.7048 6.7049 12.8007 12.8036 18.0310 18.0350 18.6516 18.6530 19.5095 19.5095 k = 0.1234 0.0712 0.2014 ( 694 PWs) bands (ev): -7.5699 -7.5697 4.5703 4.5713 6.0911 6.0939 6.7119 6.7120 12.7001 12.7028 18.0831 18.0859 18.7459 18.7484 19.5114 19.5115 k = 0.1184 0.0684 0.1934 ( 698 PWs) bands (ev): -7.6117 -7.6115 4.6850 4.6861 6.1427 6.1455 6.7183 6.7183 12.5991 12.6016 18.1346 18.1365 18.8360 18.8393 19.5079 19.5080 k = 0.1135 0.0655 0.1853 ( 698 PWs) bands (ev): -7.6521 -7.6519 4.8005 4.8017 6.1924 6.1952 6.7239 6.7240 12.4980 12.5003 18.1863 18.1874 18.9201 18.9241 19.4995 19.4996 k = 0.1086 0.0627 0.1773 ( 702 PWs) bands (ev): -7.6911 -7.6910 4.9166 4.9178 6.2401 6.2428 6.7290 6.7290 12.3967 12.3988 18.2386 18.2390 18.9969 19.0014 19.4870 19.4871 k = 0.1036 0.0598 0.1692 ( 702 PWs) bands (ev): -7.7287 -7.7286 5.0330 5.0343 6.2858 6.2885 6.7334 6.7335 12.2954 12.2974 18.2914 18.2916 19.0652 19.0701 19.4711 19.4713 k = 0.0987 0.0570 0.1612 ( 699 PWs) bands (ev): -7.7648 -7.7647 5.1494 5.1507 6.3294 6.3321 6.7374 6.7374 12.1943 12.1961 18.3448 18.3455 19.1242 19.1293 19.4528 19.4530 k = 0.0938 0.0541 0.1531 ( 699 PWs) bands (ev): -7.7994 -7.7993 5.2655 5.2669 6.3710 6.3736 6.7408 6.7408 12.0935 12.0952 18.3991 18.4001 19.1734 19.1786 19.4325 19.4328 k = 0.0888 0.0513 0.1450 ( 699 PWs) bands (ev): -7.8324 -7.8323 5.3811 5.3825 6.4105 6.4130 6.7437 6.7438 11.9933 11.9947 18.4540 18.4553 19.2126 19.2179 19.4111 19.4115 k = 0.0839 0.0484 0.1370 ( 699 PWs) bands (ev): -7.8638 -7.8638 5.4957 5.4971 6.4478 6.4502 6.7462 6.7463 11.8938 11.8951 18.5094 18.5110 19.2420 19.2474 19.3892 19.3896 k = 0.0789 0.0456 0.1289 ( 699 PWs) bands (ev): -7.8936 -7.8936 5.6090 5.6104 6.4830 6.4854 6.7483 6.7484 11.7953 11.7965 18.5649 18.5667 19.2621 19.2674 19.3672 19.3678 k = 0.0740 0.0427 0.1209 ( 707 PWs) bands (ev): -7.9218 -7.9217 5.7205 5.7219 6.5160 6.5182 6.7500 6.7501 11.6982 11.6992 18.6203 18.6223 19.2734 19.2786 19.3459 19.3466 k = 0.0691 0.0399 0.1128 ( 707 PWs) bands (ev): -7.9482 -7.9482 5.8298 5.8312 6.5469 6.5490 6.7515 6.7516 11.6028 11.6037 18.6753 18.6774 19.2765 19.2816 19.3261 19.3269 k = 0.0641 0.0370 0.1047 ( 705 PWs) bands (ev): -7.9729 -7.9729 5.9365 5.9379 6.5757 6.5777 6.7527 6.7528 11.5096 11.5103 18.7294 18.7315 19.2719 19.2765 19.3089 19.3095 k = 0.0592 0.0342 0.0967 ( 705 PWs) bands (ev): -7.9959 -7.9959 6.0398 6.0412 6.6023 6.6042 6.7537 6.7538 11.4189 11.4196 18.7821 18.7843 19.2609 19.2646 19.2944 19.2945 k = 0.0543 0.0313 0.0886 ( 709 PWs) bands (ev): -8.0171 -8.0171 6.1392 6.1405 6.6267 6.6285 6.7544 6.7545 11.3315 11.3320 18.8330 18.8352 19.2463 19.2491 19.2803 19.2808 k = 0.0493 0.0285 0.0806 ( 713 PWs) bands (ev): -8.0366 -8.0366 6.2340 6.2353 6.6490 6.6507 6.7550 6.7551 11.2478 11.2482 18.8817 18.8838 19.2305 19.2329 19.2660 19.2667 k = 0.0444 0.0256 0.0725 ( 715 PWs) bands (ev): -8.0542 -8.0542 6.3234 6.3246 6.6691 6.6707 6.7555 6.7556 11.1685 11.1688 18.9276 18.9296 19.2151 19.2170 19.2512 19.2519 k = 0.0395 0.0228 0.0645 ( 715 PWs) bands (ev): -8.0701 -8.0701 6.4068 6.4079 6.6871 6.6885 6.7560 6.7561 11.0945 11.0947 18.9702 18.9721 19.2005 19.2023 19.2362 19.2369 k = 0.0345 0.0199 0.0564 ( 719 PWs) bands (ev): -8.0841 -8.0841 6.4831 6.4841 6.7029 6.7042 6.7564 6.7565 11.0264 11.0265 19.0088 19.0106 19.1874 19.1890 19.2217 19.2223 k = 0.0296 0.0171 0.0483 ( 719 PWs) bands (ev): -8.0963 -8.0963 6.5516 6.5525 6.7166 6.7177 6.7568 6.7569 10.9650 10.9651 19.0430 19.0446 19.1760 19.1774 19.2083 19.2087 k = 0.0247 0.0142 0.0403 ( 723 PWs) bands (ev): -8.1066 -8.1066 6.6114 6.6122 6.7280 6.7290 6.7573 6.7574 10.9113 10.9114 19.0717 19.0731 19.1669 19.1681 19.1963 19.1966 k = 0.0197 0.0114 0.0322 ( 723 PWs) bands (ev): -8.1150 -8.1150 6.6615 6.6622 6.7373 6.7381 6.7581 6.7582 10.8660 10.8660 19.0941 19.0951 19.1610 19.1620 19.1862 19.1863 k = 0.0148 0.0085 0.0242 ( 725 PWs) bands (ev): -8.1216 -8.1216 6.7009 6.7014 6.7445 6.7451 6.7591 6.7592 10.8299 10.8299 19.1086 19.1092 19.1596 19.1602 19.1782 19.1782 k = 0.0099 0.0057 0.0161 ( 725 PWs) bands (ev): -8.1263 -8.1263 6.7278 6.7281 6.7509 6.7513 6.7605 6.7605 10.8035 10.8035 19.1153 19.1155 19.1624 19.1626 19.1724 19.1724 k = 0.0049 0.0028 0.0081 ( 725 PWs) bands (ev): -8.1291 -8.1291 6.7404 6.7405 6.7584 6.7584 6.7617 6.7617 10.7875 10.7875 19.1173 19.1173 19.1662 19.1662 19.1689 19.1689 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -8.1301 -8.1301 6.7431 6.7431 6.7622 6.7622 6.7622 6.7622 10.7821 10.7821 19.1175 19.1175 19.1677 19.1677 19.1677 19.1677 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -8.1301 -8.1301 6.7431 6.7431 6.7622 6.7622 6.7622 6.7622 10.7821 10.7821 19.1175 19.1175 19.1677 19.1677 19.1677 19.1677 k = 0.0081 0.0047 0.0033 ( 725 PWs) bands (ev): -8.1291 -8.1291 6.7404 6.7404 6.7583 6.7583 6.7619 6.7619 10.7875 10.7875 19.1173 19.1173 19.1662 19.1662 19.1688 19.1688 k = 0.0161 0.0093 0.0066 ( 725 PWs) bands (ev): -8.1263 -8.1263 6.7269 6.7269 6.7519 6.7519 6.7608 6.7608 10.8036 10.8036 19.1156 19.1156 19.1627 19.1627 19.1721 19.1721 k = 0.0242 0.0140 0.0099 ( 725 PWs) bands (ev): -8.1216 -8.1216 6.6981 6.6981 6.7480 6.7480 6.7591 6.7591 10.8299 10.8299 19.1096 19.1096 19.1600 19.1600 19.1774 19.1774 k = 0.0323 0.0186 0.0132 ( 722 PWs) bands (ev): -8.1150 -8.1150 6.6562 6.6562 6.7448 6.7448 6.7566 6.7566 10.8661 10.8661 19.0962 19.0962 19.1612 19.1612 19.1848 19.1848 k = 0.0403 0.0233 0.0165 ( 722 PWs) bands (ev): -8.1065 -8.1065 6.6028 6.6028 6.7413 6.7413 6.7535 6.7535 10.9113 10.9113 19.0751 19.0751 19.1669 19.1669 19.1941 19.1941 k = 0.0484 0.0279 0.0198 ( 719 PWs) bands (ev): -8.0962 -8.0962 6.5391 6.5391 6.7373 6.7373 6.7497 6.7497 10.9649 10.9649 19.0473 19.0473 19.1758 19.1758 19.2051 19.2051 k = 0.0565 0.0326 0.0230 ( 719 PWs) bands (ev): -8.0840 -8.0840 6.4659 6.4659 6.7327 6.7327 6.7453 6.7453 11.0260 11.0260 19.0140 19.0140 19.1871 19.1871 19.2176 19.2176 k = 0.0645 0.0372 0.0263 ( 718 PWs) bands (ev): -8.0700 -8.0700 6.3842 6.3842 6.7276 6.7276 6.7402 6.7402 11.0936 11.0936 18.9757 18.9757 19.2001 19.2001 19.2313 19.2313 k = 0.0726 0.0419 0.0296 ( 712 PWs) bands (ev): -8.0541 -8.0541 6.2948 6.2948 6.7218 6.7218 6.7345 6.7345 11.1670 11.1670 18.9332 18.9332 19.2144 19.2144 19.2461 19.2461 k = 0.0806 0.0466 0.0329 ( 712 PWs) bands (ev): -8.0365 -8.0365 6.1985 6.1985 6.7154 6.7154 6.7282 6.7282 11.2453 11.2453 18.8866 18.8866 19.2294 19.2294 19.2614 19.2614 k = 0.0887 0.0512 0.0362 ( 706 PWs) bands (ev): -8.0170 -8.0170 6.0961 6.0961 6.7085 6.7085 6.7213 6.7213 11.3277 11.3277 18.8364 18.8364 19.2448 19.2448 19.2770 19.2770 k = 0.0968 0.0559 0.0395 ( 706 PWs) bands (ev): -7.9958 -7.9958 5.9882 5.9882 6.7010 6.7010 6.7139 6.7139 11.4134 11.4134 18.7830 18.7830 19.2600 19.2600 19.2923 19.2923 k = 0.1048 0.0605 0.0428 ( 706 PWs) bands (ev): -7.9728 -7.9728 5.8756 5.8756 6.6930 6.6930 6.7059 6.7059 11.5018 11.5018 18.7269 18.7269 19.2746 19.2746 19.3069 19.3069 k = 0.1129 0.0652 0.0461 ( 706 PWs) bands (ev): -7.9480 -7.9480 5.7588 5.7588 6.6844 6.6844 6.6974 6.6974 11.5923 11.5923 18.6683 18.6683 19.2880 19.2880 19.3203 19.3203 k = 0.1210 0.0698 0.0494 ( 706 PWs) bands (ev): -7.9216 -7.9216 5.6384 5.6384 6.6754 6.6754 6.6885 6.6885 11.6842 11.6842 18.6076 18.6076 19.2996 19.2996 19.3318 19.3318 k = 0.1290 0.0745 0.0527 ( 706 PWs) bands (ev): -7.8935 -7.8935 5.5149 5.5149 6.6660 6.6660 6.6791 6.6791 11.7771 11.7771 18.5452 18.5452 19.3088 19.3088 19.3409 19.3409 k = 0.1371 0.0792 0.0560 ( 712 PWs) bands (ev): -7.8637 -7.8637 5.3887 5.3887 6.6560 6.6560 6.6692 6.6692 11.8704 11.8704 18.4812 18.4812 19.3151 19.3151 19.3470 19.3470 k = 0.1452 0.0838 0.0593 ( 712 PWs) bands (ev): -7.8323 -7.8323 5.2602 5.2602 6.6458 6.6458 6.6590 6.6590 11.9638 11.9638 18.4162 18.4162 19.3179 19.3179 19.3495 19.3495 k = 0.1532 0.0885 0.0626 ( 712 PWs) bands (ev): -7.7994 -7.7994 5.1299 5.1299 6.6352 6.6352 6.6485 6.6485 12.0569 12.0569 18.3503 18.3503 19.3166 19.3166 19.3478 19.3478 k = 0.1613 0.0931 0.0658 ( 712 PWs) bands (ev): -7.7649 -7.7649 4.9981 4.9981 6.6243 6.6243 6.6376 6.6376 12.1494 12.1494 18.2838 18.2838 19.3107 19.3107 19.3415 19.3415 k = 0.1694 0.0978 0.0691 ( 712 PWs) bands (ev): -7.7289 -7.7289 4.8649 4.8649 6.6131 6.6131 6.6265 6.6265 12.2408 12.2408 18.2169 18.2169 19.3000 19.3000 19.3303 19.3303 k = 0.1774 0.1024 0.0724 ( 709 PWs) bands (ev): -7.6914 -7.6914 4.7308 4.7308 6.6017 6.6017 6.6151 6.6151 12.3310 12.3310 18.1498 18.1498 19.2841 19.2841 19.3138 19.3138 k = 0.1855 0.1071 0.0757 ( 709 PWs) bands (ev): -7.6526 -7.6526 4.5960 4.5960 6.5900 6.5900 6.6035 6.6035 12.4196 12.4196 18.0828 18.0828 19.2630 19.2630 19.2921 19.2921 k = 0.1935 0.1117 0.0790 ( 703 PWs) bands (ev): -7.6124 -7.6124 4.4607 4.4607 6.5783 6.5783 6.5919 6.5919 12.5065 12.5065 18.0161 18.0161 19.2367 19.2367 19.2651 19.2651 k = 0.2016 0.1164 0.0823 ( 697 PWs) bands (ev): -7.5709 -7.5709 4.3252 4.3252 6.5663 6.5663 6.5800 6.5800 12.5915 12.5915 17.9498 17.9498 19.2054 19.2054 19.2331 19.2331 k = 0.2097 0.1211 0.0856 ( 703 PWs) bands (ev): -7.5282 -7.5282 4.1896 4.1896 6.5542 6.5542 6.5679 6.5679 12.6741 12.6741 17.8839 17.8839 19.1694 19.1694 19.1964 19.1964 k = 0.2177 0.1257 0.0889 ( 703 PWs) bands (ev): -7.4843 -7.4843 4.0542 4.0542 6.5420 6.5420 6.5558 6.5558 12.7545 12.7545 17.8187 17.8187 19.1290 19.1290 19.1554 19.1554 k = 0.2258 0.1304 0.0922 ( 703 PWs) bands (ev): -7.4393 -7.4393 3.9192 3.9192 6.5298 6.5298 6.5436 6.5436 12.8324 12.8324 17.7543 17.7543 19.0849 19.0849 19.1105 19.1105 k = 0.2339 0.1350 0.0955 ( 703 PWs) bands (ev): -7.3933 -7.3933 3.7848 3.7848 6.5176 6.5176 6.5315 6.5315 12.9078 12.9078 17.6909 17.6909 19.0374 19.0374 19.0624 19.0624 k = 0.2419 0.1397 0.0988 ( 703 PWs) bands (ev): -7.3464 -7.3464 3.6512 3.6512 6.5054 6.5054 6.5193 6.5193 12.9804 12.9804 17.6283 17.6283 18.9871 18.9871 19.0115 19.0115 k = 0.2500 0.1443 0.1021 ( 703 PWs) bands (ev): -7.2985 -7.2985 3.5186 3.5186 6.4932 6.4932 6.5072 6.5072 13.0502 13.0502 17.5669 17.5669 18.9346 18.9346 18.9584 18.9584 k = 0.2581 0.1490 0.1054 ( 703 PWs) bands (ev): -7.2499 -7.2499 3.3871 3.3871 6.4811 6.4811 6.4952 6.4952 13.1172 13.1172 17.5066 17.5066 18.8804 18.8804 18.9035 18.9035 k = 0.2661 0.1536 0.1086 ( 709 PWs) bands (ev): -7.2006 -7.2006 3.2569 3.2569 6.4691 6.4691 6.4832 6.4832 13.1813 13.1813 17.4474 17.4474 18.8248 18.8248 18.8474 18.8474 k = 0.2742 0.1583 0.1119 ( 703 PWs) bands (ev): -7.1508 -7.1508 3.1282 3.1282 6.4574 6.4574 6.4715 6.4715 13.2426 13.2426 17.3895 17.3895 18.7685 18.7685 18.7906 18.7906 k = 0.2823 0.1630 0.1152 ( 703 PWs) bands (ev): -7.1004 -7.1004 3.0013 3.0013 6.4457 6.4457 6.4599 6.4599 13.3009 13.3009 17.3330 17.3330 18.7118 18.7118 18.7334 18.7334 k = 0.2903 0.1676 0.1185 ( 700 PWs) bands (ev): -7.0498 -7.0498 2.8763 2.8763 6.4343 6.4343 6.4485 6.4485 13.3563 13.3563 17.2778 17.2778 18.6550 18.6550 18.6762 18.6762 k = 0.2984 0.1723 0.1218 ( 700 PWs) bands (ev): -6.9988 -6.9988 2.7533 2.7533 6.4230 6.4230 6.4373 6.4373 13.4089 13.4089 17.2240 17.2240 18.5985 18.5985 18.6194 18.6194 k = 0.3065 0.1769 0.1251 ( 700 PWs) bands (ev): -6.9478 -6.9478 2.6326 2.6326 6.4120 6.4120 6.4264 6.4264 13.4586 13.4586 17.1717 17.1717 18.5427 18.5427 18.5632 18.5632 k = 0.3145 0.1816 0.1284 ( 697 PWs) bands (ev): -6.8968 -6.8968 2.5145 2.5145 6.4012 6.4012 6.4157 6.4157 13.5055 13.5055 17.1210 17.1210 18.4877 18.4877 18.5079 18.5079 k = 0.3226 0.1862 0.1317 ( 697 PWs) bands (ev): -6.8460 -6.8460 2.3989 2.3989 6.3908 6.3908 6.4053 6.4053 13.5496 13.5496 17.0717 17.0717 18.4339 18.4339 18.4538 18.4538 k = 0.3306 0.1909 0.1350 ( 697 PWs) bands (ev): -6.7955 -6.7955 2.2862 2.2862 6.3807 6.3807 6.3952 6.3952 13.5911 13.5911 17.0240 17.0240 18.3814 18.3814 18.4011 18.4011 k = 0.3387 0.1956 0.1383 ( 697 PWs) bands (ev): -6.7455 -6.7455 2.1766 2.1766 6.3709 6.3709 6.3854 6.3854 13.6300 13.6300 16.9780 16.9780 18.3305 18.3305 18.3499 18.3499 k = 0.3468 0.2002 0.1416 ( 697 PWs) bands (ev): -6.6961 -6.6961 2.0703 2.0703 6.3614 6.3614 6.3760 6.3760 13.6663 13.6663 16.9336 16.9336 18.2813 18.2813 18.3004 18.3004 k = 0.3548 0.2049 0.1449 ( 697 PWs) bands (ev): -6.6476 -6.6476 1.9675 1.9675 6.3523 6.3523 6.3670 6.3670 13.7002 13.7002 16.8910 16.8910 18.2339 18.2339 18.2528 18.2528 k = 0.3629 0.2095 0.1482 ( 712 PWs) bands (ev): -6.6000 -6.6000 1.8683 1.8683 6.3435 6.3435 6.3582 6.3582 13.7317 13.7317 16.8500 16.8500 18.1884 18.1884 18.2072 18.2072 k = 0.3710 0.2142 0.1514 ( 709 PWs) bands (ev): -6.5537 -6.5537 1.7732 1.7732 6.3352 6.3352 6.3500 6.3500 13.7610 13.7610 16.8112 16.8112 18.1451 18.1451 18.1637 18.1637 k = 0.3790 0.2188 0.1547 ( 715 PWs) bands (ev): -6.5088 -6.5088 1.6823 1.6823 6.3273 6.3273 6.3421 6.3421 13.7881 13.7881 16.7741 16.7741 18.1040 18.1040 18.1224 18.1224 k = 0.3871 0.2235 0.1580 ( 715 PWs) bands (ev): -6.4654 -6.4654 1.5957 1.5957 6.3199 6.3199 6.3347 6.3347 13.8131 13.8131 16.7390 16.7390 18.0651 18.0651 18.0835 18.0835 k = 0.3952 0.2281 0.1613 ( 715 PWs) bands (ev): -6.4239 -6.4239 1.5139 1.5139 6.3130 6.3130 6.3278 6.3278 13.8360 13.8360 16.7061 16.7061 18.0287 18.0287 18.0469 18.0469 k = 0.4032 0.2328 0.1646 ( 715 PWs) bands (ev): -6.3843 -6.3843 1.4369 1.4369 6.3065 6.3065 6.3213 6.3213 13.8569 13.8569 16.6752 16.6752 17.9947 17.9947 18.0128 18.0128 k = 0.4113 0.2375 0.1679 ( 715 PWs) bands (ev): -6.3470 -6.3470 1.3650 1.3650 6.3004 6.3004 6.3153 6.3153 13.8760 13.8760 16.6465 16.6465 17.9633 17.9633 17.9812 17.9812 k = 0.4194 0.2421 0.1712 ( 709 PWs) bands (ev): -6.3121 -6.3121 1.2985 1.2985 6.2950 6.2950 6.3099 6.3099 13.8932 13.8932 16.6202 16.6202 17.9344 17.9344 17.9523 17.9523 k = 0.4274 0.2468 0.1745 ( 709 PWs) bands (ev): -6.2797 -6.2797 1.2375 1.2375 6.2899 6.2899 6.3049 6.3049 13.9086 13.9086 16.5960 16.5960 17.9081 17.9081 17.9259 17.9259 k = 0.4355 0.2514 0.1778 ( 709 PWs) bands (ev): -6.2502 -6.2502 1.1823 1.1823 6.2854 6.2854 6.3004 6.3004 13.9223 13.9223 16.5742 16.5742 17.8844 17.8844 17.9022 17.9022 k = 0.4435 0.2561 0.1811 ( 709 PWs) bands (ev): -6.2237 -6.2237 1.1330 1.1330 6.2814 6.2814 6.2964 6.2964 13.9342 13.9342 16.5548 16.5548 17.8635 17.8635 17.8812 17.8812 k = 0.4516 0.2607 0.1844 ( 709 PWs) bands (ev): -6.2003 -6.2003 1.0899 1.0899 6.2779 6.2779 6.2929 6.2929 13.9445 13.9445 16.5379 16.5379 17.8453 17.8453 17.8630 17.8630 k = 0.4597 0.2654 0.1877 ( 709 PWs) bands (ev): -6.1802 -6.1802 1.0532 1.0532 6.2749 6.2749 6.2899 6.2899 13.9532 13.9532 16.5235 16.5235 17.8299 17.8299 17.8475 17.8475 k = 0.4677 0.2701 0.1910 ( 709 PWs) bands (ev): -6.1636 -6.1636 1.0228 1.0228 6.2725 6.2725 6.2875 6.2875 13.9602 13.9602 16.5116 16.5116 17.8172 17.8172 17.8348 17.8348 k = 0.4758 0.2747 0.1942 ( 709 PWs) bands (ev): -6.1505 -6.1505 0.9991 0.9991 6.2706 6.2706 6.2856 6.2856 13.9657 13.9657 16.5024 16.5024 17.8073 17.8073 17.8249 17.8249 k = 0.4839 0.2794 0.1975 ( 715 PWs) bands (ev): -6.1411 -6.1411 0.9821 0.9821 6.2691 6.2691 6.2842 6.2842 13.9696 13.9696 16.4957 16.4957 17.8003 17.8003 17.8178 17.8178 k = 0.4919 0.2840 0.2008 ( 718 PWs) bands (ev): -6.1355 -6.1355 0.9719 0.9719 6.2683 6.2683 6.2833 6.2833 13.9719 13.9719 16.4917 16.4917 17.7960 17.7960 17.8136 17.8136 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -6.1336 -6.1336 0.9685 0.9685 6.2680 6.2680 6.2830 6.2830 13.9727 13.9727 16.4904 16.4904 17.7946 17.7946 17.8121 17.8121 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -6.1336 -6.1336 0.9685 0.9685 6.2680 6.2680 6.2830 6.2830 13.9727 13.9727 16.4904 16.4904 17.7946 17.7946 17.8121 17.8121 k = 0.5028 0.2805 0.2088 ( 713 PWs) bands (ev): -6.1331 -6.1330 0.9695 0.9697 6.2654 6.2656 6.2808 6.2808 13.9766 13.9769 16.4763 16.4771 17.8002 17.8007 17.8196 17.8197 k = 0.5057 0.2723 0.2134 ( 711 PWs) bands (ev): -6.1315 -6.1312 0.9729 0.9731 6.2559 6.2563 6.2756 6.2757 13.9887 13.9892 16.4363 16.4379 17.8116 17.8119 17.8465 17.8472 k = 0.5085 0.2641 0.2180 ( 709 PWs) bands (ev): -6.1287 -6.1284 0.9784 0.9788 6.2376 6.2381 6.2697 6.2698 14.0086 14.0094 16.3741 16.3764 17.8260 17.8262 17.8920 17.8932 k = 0.5114 0.2559 0.2227 ( 709 PWs) bands (ev): -6.1249 -6.1244 0.9862 0.9868 6.2106 6.2113 6.2629 6.2630 14.0362 14.0372 16.2943 16.2971 17.8449 17.8451 17.9500 17.9515 k = 0.5142 0.2477 0.2273 ( 709 PWs) bands (ev): -6.1200 -6.1194 0.9963 0.9970 6.1758 6.1766 6.2548 6.2549 14.0710 14.0723 16.2014 16.2046 17.8688 17.8689 18.0159 18.0176 k = 0.5170 0.2395 0.2320 ( 709 PWs) bands (ev): -6.1140 -6.1133 1.0085 1.0094 6.1335 6.1345 6.2453 6.2453 14.1126 14.1140 16.0991 16.1026 17.8977 17.8978 18.0861 18.0878 k = 0.5199 0.2313 0.2366 ( 709 PWs) bands (ev): -6.1069 -6.1061 1.0231 1.0241 6.0843 6.0854 6.2342 6.2343 14.1601 14.1618 15.9905 15.9942 17.9315 17.9316 18.1578 18.1594 k = 0.5227 0.2231 0.2412 ( 709 PWs) bands (ev): -6.0988 -6.0979 1.0398 1.0409 6.0284 6.0297 6.2217 6.2217 14.2126 14.2145 15.8783 15.8821 17.9703 17.9703 18.2290 18.2306 k = 0.5256 0.2149 0.2459 ( 711 PWs) bands (ev): -6.0896 -6.0886 1.0587 1.0600 5.9664 5.9677 6.2076 6.2077 14.2689 14.2710 15.7648 15.7687 18.0138 18.0139 18.2983 18.2997 k = 0.5284 0.2067 0.2505 ( 713 PWs) bands (ev): -6.0795 -6.0783 1.0799 1.0813 5.8985 5.8999 6.1922 6.1922 14.3272 14.3294 15.6526 15.6565 18.0621 18.0621 18.3646 18.3658 k = 0.5312 0.1985 0.2552 ( 711 PWs) bands (ev): -6.0684 -6.0671 1.1033 1.1048 5.8254 5.8269 6.1754 6.1754 14.3849 14.3871 15.5449 15.5488 18.1148 18.1149 18.4273 18.4283 k = 0.5341 0.1903 0.2598 ( 707 PWs) bands (ev): -6.0563 -6.0549 1.1288 1.1305 5.7474 5.7490 6.1574 6.1574 14.4378 14.4400 15.4461 15.4498 18.1721 18.1721 18.4858 18.4866 k = 0.5369 0.1821 0.2644 ( 709 PWs) bands (ev): -6.0433 -6.0418 1.1565 1.1583 5.6648 5.6665 6.1381 6.1382 14.4797 14.4817 15.3624 15.3657 18.2335 18.2335 18.5397 18.5403 k = 0.5398 0.1739 0.2691 ( 707 PWs) bands (ev): -6.0294 -6.0278 1.1863 1.1882 5.5782 5.5800 6.1178 6.1178 14.5021 14.5035 15.3028 15.3053 18.2990 18.2990 18.5891 18.5894 k = 0.5426 0.1657 0.2737 ( 707 PWs) bands (ev): -6.0147 -6.0130 1.2182 1.2203 5.4880 5.4899 6.0963 6.0964 14.4959 14.4965 15.2760 15.2775 18.3683 18.3683 18.6339 18.6340 k = 0.5455 0.1575 0.2784 ( 703 PWs) bands (ev): -5.9992 -5.9974 1.2523 1.2545 5.3946 5.3965 6.0740 6.0740 14.4569 14.4573 15.2856 15.2860 18.4413 18.4414 18.6740 18.6742 k = 0.5483 0.1493 0.2830 ( 703 PWs) bands (ev): -5.9829 -5.9811 1.2884 1.2908 5.2983 5.3004 6.0508 6.0508 14.3893 14.3906 15.3261 15.3267 18.5178 18.5178 18.7098 18.7102 k = 0.5511 0.1411 0.2876 ( 706 PWs) bands (ev): -5.9660 -5.9640 1.3266 1.3291 5.1996 5.2017 6.0267 6.0267 14.3022 14.3040 15.3893 15.3906 18.5973 18.5973 18.7415 18.7422 k = 0.5540 0.1329 0.2923 ( 706 PWs) bands (ev): -5.9484 -5.9463 1.3668 1.3694 5.0989 5.1010 6.0020 6.0020 14.2029 14.2051 15.4677 15.4695 18.6798 18.6798 18.7696 18.7705 k = 0.5568 0.1247 0.2969 ( 702 PWs) bands (ev): -5.9302 -5.9280 1.4091 1.4118 4.9965 4.9988 5.9767 5.9767 14.0967 14.0991 15.5558 15.5581 18.7645 18.7647 18.7949 18.7960 k = 0.5597 0.1165 0.3015 ( 702 PWs) bands (ev): -5.9115 -5.9092 1.4532 1.4561 4.8928 4.8951 5.9508 5.9509 13.9865 13.9891 15.6499 15.6524 18.8156 18.8172 18.8533 18.8535 k = 0.5625 0.1083 0.3062 ( 704 PWs) bands (ev): -5.8923 -5.8900 1.4993 1.5023 4.7881 4.7904 5.9246 5.9246 13.8746 13.8772 15.7474 15.7501 18.8357 18.8375 18.9428 18.9428 k = 0.5653 0.1001 0.3108 ( 703 PWs) bands (ev): -5.8727 -5.8703 1.5473 1.5504 4.6827 4.6851 5.8979 5.8979 13.7621 13.7648 15.8464 15.8494 18.8539 18.8559 19.0342 19.0343 k = 0.5682 0.0919 0.3155 ( 705 PWs) bands (ev): -5.8528 -5.8503 1.5971 1.6003 4.5770 4.5794 5.8711 5.8711 13.6500 13.6527 15.9456 15.9486 18.8710 18.8732 19.1272 19.1272 k = 0.5710 0.0837 0.3201 ( 705 PWs) bands (ev): -5.8327 -5.8301 1.6487 1.6520 4.4713 4.4738 5.8440 5.8440 13.5388 13.5415 16.0435 16.0466 18.8877 18.8901 19.2213 19.2213 k = 0.5739 0.0754 0.3247 ( 707 PWs) bands (ev): -5.8124 -5.8097 1.7020 1.7054 4.3659 4.3684 5.8169 5.8169 13.4291 13.4317 16.1390 16.1422 18.9047 18.9072 19.3162 19.3162 k = 0.5767 0.0672 0.3294 ( 706 PWs) bands (ev): -5.7920 -5.7893 1.7570 1.7605 4.2612 4.2637 5.7897 5.7897 13.3211 13.3236 16.2312 16.2344 18.9227 18.9253 19.4115 19.4115 k = 0.5795 0.0590 0.3340 ( 706 PWs) bands (ev): -5.7716 -5.7689 1.8135 1.8171 4.1574 4.1599 5.7627 5.7627 13.2151 13.2176 16.3189 16.3221 18.9424 18.9452 19.5069 19.5069 k = 0.5824 0.0508 0.3387 ( 702 PWs) bands (ev): -5.7514 -5.7486 1.8714 1.8752 4.0548 4.0574 5.7358 5.7358 13.1113 13.1137 16.4012 16.4044 18.9645 18.9674 19.6020 19.6021 k = 0.5852 0.0426 0.3433 ( 702 PWs) bands (ev): -5.7313 -5.7284 1.9307 1.9346 3.9538 3.9564 5.7091 5.7091 13.0099 13.0122 16.4773 16.4803 18.9896 18.9925 19.6964 19.6964 k = 0.5881 0.0344 0.3479 ( 702 PWs) bands (ev): -5.7116 -5.7087 1.9912 1.9951 3.8548 3.8574 5.6827 5.6827 12.9110 12.9132 16.5463 16.5492 19.0182 19.0212 19.7897 19.7897 k = 0.5909 0.0262 0.3526 ( 702 PWs) bands (ev): -5.6922 -5.6893 2.0527 2.0567 3.7580 3.7607 5.6567 5.6567 12.8146 12.8167 16.6075 16.6102 19.0507 19.0537 19.8815 19.8815 k = 0.5938 0.0180 0.3572 ( 704 PWs) bands (ev): -5.6734 -5.6704 2.1149 2.1189 3.6640 3.6667 5.6311 5.6311 12.7210 12.7230 16.6605 16.6630 19.0873 19.0903 19.9714 19.9715 k = 0.5966 0.0098 0.3619 ( 704 PWs) bands (ev): -5.6553 -5.6522 2.1776 2.1816 3.5733 3.5760 5.6060 5.6060 12.6302 12.6321 16.7050 16.7073 19.1280 19.1310 20.0592 20.0592 k = 0.5994 0.0016 0.3665 ( 703 PWs) bands (ev): -5.6378 -5.6347 2.2401 2.2443 3.4864 3.4892 5.5814 5.5814 12.5423 12.5440 16.7408 16.7428 19.1726 19.1754 20.1444 20.1445 k = 0.6023-0.0066 0.3711 ( 705 PWs) bands (ev): -5.6213 -5.6182 2.3020 2.3061 3.4042 3.4070 5.5574 5.5574 12.4572 12.4589 16.7680 16.7698 19.2203 19.2231 20.2268 20.2268 k = 0.6051-0.0148 0.3758 ( 707 PWs) bands (ev): -5.6057 -5.6026 2.3622 2.3663 3.3279 3.3308 5.5341 5.5341 12.3752 12.3767 16.7869 16.7885 19.2705 19.2732 20.3060 20.3060 k = 0.6080-0.0230 0.3804 ( 707 PWs) bands (ev): -5.5912 -5.5881 2.4192 2.4233 3.2590 3.2620 5.5115 5.5115 12.2962 12.2976 16.7980 16.7993 19.3224 19.3250 20.3818 20.3819 k = 0.6108-0.0312 0.3851 ( 709 PWs) bands (ev): -5.5779 -5.5748 2.4709 2.4748 3.1998 3.2030 5.4897 5.4897 12.2202 12.2215 16.8017 16.8029 19.3746 19.3772 20.4540 20.4541 k = 0.6136-0.0394 0.3897 ( 707 PWs) bands (ev): -5.5660 -5.5629 2.5139 2.5176 3.1539 3.1574 5.4688 5.4688 12.1474 12.1486 16.7989 16.7998 19.4260 19.4286 20.5225 20.5226 k = 0.6165-0.0476 0.3943 ( 709 PWs) bands (ev): -5.5556 -5.5525 2.5442 2.5475 3.1254 3.1292 5.4486 5.4486 12.0778 12.0788 16.7900 16.7908 19.4753 19.4777 20.5871 20.5872 k = 0.6193-0.0558 0.3990 ( 707 PWs) bands (ev): -5.5467 -5.5436 2.5579 2.5608 3.1181 3.1224 5.4295 5.4295 12.0114 12.0123 16.7760 16.7766 19.5211 19.5234 20.6478 20.6479 k = 0.6222-0.0640 0.4036 ( 706 PWs) bands (ev): -5.5395 -5.5365 2.5542 2.5567 3.1331 3.1378 5.4112 5.4112 11.9482 11.9490 16.7574 16.7578 19.5622 19.5645 20.7045 20.7046 k = 0.6250-0.0722 0.4082 ( 706 PWs) bands (ev): -5.5342 -5.5311 2.5360 2.5382 3.1676 3.1725 5.3939 5.3939 11.8884 11.8890 16.7349 16.7352 19.5975 19.5997 20.7572 20.7573 k = 0.6250-0.0722 0.4082 ( 706 PWs) bands (ev): -5.5342 -5.5311 2.5360 2.5382 3.1676 3.1725 5.3939 5.3939 11.8884 11.8890 16.7349 16.7352 19.5975 19.5997 20.7572 20.7573 k = 0.6202-0.0694 0.4161 ( 706 PWs) bands (ev): -5.5340 -5.5309 2.5369 2.5391 3.1683 3.1732 5.3894 5.3899 11.8920 11.8926 16.7371 16.7374 19.5955 19.5977 20.7372 20.7401 k = 0.6154-0.0666 0.4240 ( 711 PWs) bands (ev): -5.5333 -5.5303 2.5396 2.5418 3.1705 3.1754 5.3765 5.3775 11.9028 11.9034 16.7438 16.7442 19.5895 19.5917 20.6838 20.6892 k = 0.6106-0.0638 0.4318 ( 711 PWs) bands (ev): -5.5323 -5.5292 2.5440 2.5463 3.1742 3.1791 5.3555 5.3569 11.9205 11.9212 16.7550 16.7555 19.5795 19.5817 20.6059 20.6132 k = 0.6058-0.0611 0.4397 ( 707 PWs) bands (ev): -5.5308 -5.5277 2.5503 2.5526 3.1793 3.1842 5.3266 5.3286 11.9449 11.9457 16.7708 16.7715 19.5655 19.5678 20.5117 20.5205 k = 0.6010-0.0583 0.4475 ( 707 PWs) bands (ev): -5.5289 -5.5259 2.5584 2.5607 3.1859 3.1907 5.2902 5.2926 11.9755 11.9762 16.7912 16.7920 19.5476 19.5499 20.4072 20.4172 k = 0.5962-0.0555 0.4554 ( 707 PWs) bands (ev): -5.5267 -5.5236 2.5682 2.5705 3.1939 3.1986 5.2466 5.2495 12.0116 12.0124 16.8163 16.8173 19.5257 19.5281 20.2968 20.3077 k = 0.5913-0.0527 0.4632 ( 710 PWs) bands (ev): -5.5241 -5.5210 2.5798 2.5821 3.2031 3.2078 5.1965 5.1998 12.0526 12.0534 16.8462 16.8473 19.5000 19.5024 20.1831 20.1948 k = 0.5865-0.0500 0.4711 ( 709 PWs) bands (ev): -5.5212 -5.5180 2.5931 2.5955 3.2137 3.2183 5.1405 5.1442 12.0978 12.0986 16.8809 16.8822 19.4704 19.4730 20.0682 20.0804 k = 0.5817-0.0472 0.4789 ( 709 PWs) bands (ev): -5.5180 -5.5148 2.6080 2.6105 3.2255 3.2300 5.0793 5.0833 12.1463 12.1472 16.9205 16.9220 19.4371 19.4397 19.9534 19.9660 k = 0.5769-0.0444 0.4868 ( 713 PWs) bands (ev): -5.5145 -5.5112 2.6247 2.6272 3.2384 3.2428 5.0133 5.0177 12.1974 12.1982 16.9651 16.9668 19.3999 19.4026 19.8397 19.8527 k = 0.5721-0.0416 0.4946 ( 713 PWs) bands (ev): -5.5107 -5.5075 2.6430 2.6455 3.2523 3.2566 4.9435 4.9483 12.2501 12.2510 17.0147 17.0167 19.3589 19.3616 19.7282 19.7415 k = 0.5673-0.0389 0.5025 ( 713 PWs) bands (ev): -5.5068 -5.5035 2.6628 2.6655 3.2671 3.2713 4.8706 4.8758 12.3037 12.3045 17.0695 17.0717 19.3139 19.3166 19.6199 19.6332 k = 0.5625-0.0361 0.5103 ( 713 PWs) bands (ev): -5.5027 -5.4994 2.6842 2.6870 3.2825 3.2866 4.7953 4.8009 12.3572 12.3581 17.1294 17.1319 19.2647 19.2673 19.5157 19.5288 k = 0.5577-0.0333 0.5182 ( 713 PWs) bands (ev): -5.4985 -5.4952 2.7070 2.7099 3.2985 3.3023 4.7185 4.7244 12.4098 12.4108 17.1944 17.1971 19.2106 19.2131 19.4168 19.4293 k = 0.5529-0.0305 0.5260 ( 711 PWs) bands (ev): -5.4943 -5.4909 2.7313 2.7342 3.3145 3.3182 4.6410 4.6473 12.4609 12.4619 17.2644 17.2675 19.1510 19.1536 19.3248 19.3361 k = 0.5481-0.0278 0.5339 ( 711 PWs) bands (ev): -5.4901 -5.4867 2.7567 2.7599 3.3304 3.3340 4.5638 4.5705 12.5096 12.5107 17.3393 17.3426 19.0850 19.0886 19.2407 19.2500 k = 0.5433-0.0250 0.5417 ( 708 PWs) bands (ev): -5.4859 -5.4825 2.7833 2.7866 3.3457 3.3490 4.4880 4.4950 12.5554 12.5566 17.4188 17.4225 19.0131 19.0185 19.1645 19.1715 k = 0.5385-0.0222 0.5496 ( 708 PWs) bands (ev): -5.4819 -5.4784 2.8108 2.8143 3.3597 3.3629 4.4145 4.4220 12.5975 12.5989 17.5025 17.5065 18.9377 18.9451 19.0946 19.0994 k = 0.5337-0.0194 0.5574 ( 710 PWs) bands (ev): -5.4780 -5.4746 2.8389 2.8427 3.3717 3.3750 4.3448 4.3527 12.6356 12.6371 17.5898 17.5942 18.8618 18.8707 19.0291 19.0321 k = 0.5288-0.0167 0.5653 ( 710 PWs) bands (ev): -5.4745 -5.4710 2.8674 2.8714 3.3810 3.3845 4.2805 4.2889 12.6692 12.6708 17.6799 17.6846 18.7878 18.7980 18.9665 18.9680 k = 0.5240-0.0139 0.5731 ( 710 PWs) bands (ev): -5.4712 -5.4677 2.8956 2.8999 3.3868 3.3906 4.2232 4.2320 12.6980 12.6997 17.7713 17.7763 18.7180 18.7291 18.9060 18.9064 k = 0.5192-0.0111 0.5810 ( 706 PWs) bands (ev): -5.4684 -5.4649 2.9228 2.9275 3.3884 3.3928 4.1745 4.1838 12.7217 12.7235 17.8617 17.8671 18.6547 18.6666 18.8470 18.8477 k = 0.5144-0.0083 0.5888 ( 704 PWs) bands (ev): -5.4660 -5.4625 2.9477 2.9529 3.3859 3.3910 4.1360 4.1457 12.7402 12.7421 17.9469 17.9527 18.6013 18.6140 18.7901 18.7920 k = 0.5096-0.0056 0.5967 ( 704 PWs) bands (ev): -5.4643 -5.4607 2.9688 2.9744 3.3802 3.3860 4.1086 4.1186 12.7533 12.7553 18.0199 18.0260 18.5632 18.5772 18.7371 18.7405 k = 0.5048-0.0028 0.6045 ( 700 PWs) bands (ev): -5.4631 -5.4596 2.9835 2.9895 3.3741 3.3804 4.0927 4.1029 12.7612 12.7632 18.0698 18.0761 18.5469 18.5634 18.6913 18.6974 k = 0.5000-0.0000 0.6124 ( 700 PWs) bands (ev): -5.4628 -5.4592 2.9891 2.9951 3.3711 3.3776 4.0876 4.0978 12.7638 12.7658 18.0869 18.0932 18.5476 18.5668 18.6676 18.6765 k = 0.5000-0.0000 0.6124 ( 700 PWs) bands (ev): -5.4628 -5.4592 2.9891 2.9951 3.3711 3.3776 4.0876 4.0978 12.7638 12.7658 18.0869 18.0932 18.5476 18.5668 18.6676 18.6765 k = 0.5000 0.0057 0.6044 ( 700 PWs) bands (ev): -5.4635 -5.4599 2.9866 2.9927 3.3676 3.3740 4.0963 4.1064 12.7652 12.7672 18.0747 18.0814 18.5285 18.5417 18.7046 18.7078 k = 0.5000 0.0113 0.5964 ( 702 PWs) bands (ev): -5.4657 -5.4622 2.9789 2.9850 3.3585 3.3646 4.1212 4.1311 12.7694 12.7715 18.0392 18.0469 18.4984 18.5061 18.7735 18.7750 k = 0.5000 0.0170 0.5884 ( 706 PWs) bands (ev): -5.4694 -5.4659 2.9644 2.9705 3.3477 3.3533 4.1599 4.1694 12.7765 12.7786 17.9839 17.9925 18.4763 18.4806 18.8511 18.8550 k = 0.5000 0.0226 0.5804 ( 706 PWs) bands (ev): -5.4746 -5.4710 2.9416 2.9477 3.3398 3.3448 4.2095 4.2186 12.7865 12.7885 17.9137 17.9229 18.4640 18.4663 18.9335 18.9389 k = 0.5000 0.0283 0.5723 ( 706 PWs) bands (ev): -5.4811 -5.4776 2.9095 2.9154 3.3385 3.3427 4.2670 4.2757 12.7994 12.8014 17.8332 17.8428 18.4597 18.4607 19.0177 19.0240 k = 0.5000 0.0340 0.5643 ( 706 PWs) bands (ev): -5.4891 -5.4856 2.8682 2.8739 3.3455 3.3491 4.3302 4.3387 12.8152 12.8173 17.7460 17.7558 18.4612 18.4615 19.1016 19.1086 k = 0.5000 0.0396 0.5563 ( 710 PWs) bands (ev): -5.4984 -5.4949 2.8190 2.8245 3.3612 3.3643 4.3975 4.4057 12.8340 12.8361 17.6545 17.6643 18.4667 18.4673 19.1839 19.1914 k = 0.5000 0.0453 0.5483 ( 708 PWs) bands (ev): -5.5090 -5.5055 2.7636 2.7689 3.3850 3.3877 4.4677 4.4756 12.8559 12.8580 17.5601 17.5699 18.4755 18.4765 19.2634 19.2714 k = 0.5000 0.0509 0.5403 ( 708 PWs) bands (ev): -5.5207 -5.5173 2.7038 2.7089 3.4159 3.4183 4.5397 4.5475 12.8809 12.8831 17.4639 17.4736 18.4870 18.4883 19.3390 19.3473 k = 0.5000 0.0566 0.5323 ( 706 PWs) bands (ev): -5.5337 -5.5303 2.6409 2.6459 3.4532 3.4555 4.6129 4.6205 12.9091 12.9114 17.3665 17.3760 18.5007 18.5021 19.4097 19.4182 k = 0.5000 0.0623 0.5243 ( 706 PWs) bands (ev): -5.5477 -5.5443 2.5759 2.5808 3.4961 3.4984 4.6867 4.6941 12.9406 12.9430 17.2684 17.2777 18.5160 18.5176 19.4743 19.4831 k = 0.5000 0.0679 0.5163 ( 708 PWs) bands (ev): -5.5628 -5.5594 2.5097 2.5145 3.5443 3.5465 4.7606 4.7678 12.9754 12.9779 17.1698 17.1790 18.5327 18.5344 19.5317 19.5407 k = 0.5000 0.0736 0.5083 ( 708 PWs) bands (ev): -5.5788 -5.5755 2.4430 2.4476 3.5972 3.5995 4.8342 4.8413 13.0137 13.0162 17.0710 17.0800 18.5505 18.5523 19.5809 19.5901 k = 0.5000 0.0792 0.5003 ( 708 PWs) bands (ev): -5.5957 -5.5924 2.3760 2.3806 3.6545 3.6569 4.9073 4.9143 13.0555 13.0580 16.9720 16.9809 18.5691 18.5709 19.6207 19.6301 k = 0.5000 0.0849 0.4923 ( 708 PWs) bands (ev): -5.6133 -5.6100 2.3093 2.3138 3.7160 3.7185 4.9796 4.9864 13.1008 13.1035 16.8731 16.8818 18.5882 18.5901 19.6502 19.6598 k = 0.5000 0.0906 0.4843 ( 708 PWs) bands (ev): -5.6316 -5.6284 2.2431 2.2475 3.7813 3.7839 5.0508 5.0575 13.1498 13.1525 16.7743 16.7827 18.6075 18.6094 19.6685 19.6782 k = 0.5000 0.0962 0.4763 ( 702 PWs) bands (ev): -5.6505 -5.6473 2.1777 2.1819 3.8503 3.8531 5.1208 5.1274 13.2025 13.2053 16.6757 16.6839 18.6269 18.6288 19.6750 19.6848 k = 0.5000 0.1019 0.4683 ( 706 PWs) bands (ev): -5.6699 -5.6668 2.1131 2.1173 3.9226 3.9255 5.1892 5.1957 13.2590 13.2618 16.5771 16.5851 18.6459 18.6477 19.6693 19.6790 k = 0.5000 0.1075 0.4603 ( 706 PWs) bands (ev): -5.6898 -5.6867 2.0496 2.0537 3.9981 4.0011 5.2562 5.2625 13.3192 13.3221 16.4788 16.4866 18.6643 18.6661 19.6514 19.6610 k = 0.5000 0.1132 0.4523 ( 706 PWs) bands (ev): -5.7100 -5.7070 1.9873 1.9913 4.0764 4.0795 5.3214 5.3275 13.3832 13.3862 16.3807 16.3883 18.6818 18.6836 19.6215 19.6311 k = 0.5000 0.1189 0.4443 ( 706 PWs) bands (ev): -5.7304 -5.7275 1.9264 1.9302 4.1575 4.1606 5.3847 5.3907 13.4510 13.4541 16.2829 16.2902 18.6981 18.7000 19.5805 19.5899 k = 0.5000 0.1245 0.4363 ( 706 PWs) bands (ev): -5.7510 -5.7482 1.8668 1.8706 4.2410 4.2442 5.4461 5.4520 13.5226 13.5258 16.1853 16.1924 18.7130 18.7148 19.5291 19.5384 k = 0.5000 0.1302 0.4283 ( 706 PWs) bands (ev): -5.7718 -5.7690 1.8088 1.8124 4.3267 4.3300 5.5054 5.5111 13.5980 13.6013 16.0881 16.0949 18.7260 18.7278 19.4687 19.4777 k = 0.5000 0.1358 0.4203 ( 706 PWs) bands (ev): -5.7925 -5.7897 1.7523 1.7558 4.4143 4.4177 5.5625 5.5681 13.6770 13.6803 15.9913 15.9979 18.7368 18.7387 19.4004 19.4092 k = 0.5000 0.1415 0.4123 ( 706 PWs) bands (ev): -5.8131 -5.8105 1.6974 1.7009 4.5037 4.5071 5.6175 5.6229 13.7595 13.7629 15.8950 15.9013 18.7450 18.7472 19.3256 19.3343 k = 0.5000 0.1472 0.4042 ( 708 PWs) bands (ev): -5.8336 -5.8310 1.6443 1.6476 4.5945 4.5980 5.6702 5.6755 13.8453 13.8488 15.7994 15.8055 18.7503 18.7527 19.2458 19.2544 k = 0.5000 0.1528 0.3962 ( 710 PWs) bands (ev): -5.8539 -5.8514 1.5929 1.5961 4.6865 4.6900 5.7205 5.7256 13.9342 13.9377 15.7048 15.7106 18.7522 18.7550 19.1624 19.1709 k = 0.5000 0.1585 0.3882 ( 710 PWs) bands (ev): -5.8738 -5.8714 1.5433 1.5464 4.7793 4.7828 5.7686 5.7735 14.0257 14.0292 15.6116 15.6171 18.7501 18.7534 19.0769 19.0855 k = 0.5000 0.1641 0.3802 ( 710 PWs) bands (ev): -5.8935 -5.8911 1.4956 1.4986 4.8727 4.8763 5.8144 5.8191 14.1193 14.1228 15.5202 15.5255 18.7430 18.7473 18.9908 18.9999 k = 0.5000 0.1698 0.3722 ( 710 PWs) bands (ev): -5.9126 -5.9104 1.4498 1.4526 4.9664 4.9699 5.8578 5.8623 14.2140 14.2175 15.4317 15.4367 18.7294 18.7350 18.9065 18.9164 k = 0.5000 0.1755 0.3642 ( 706 PWs) bands (ev): -5.9313 -5.9292 1.4059 1.4086 5.0601 5.0636 5.8988 5.9032 14.3085 14.3119 15.3476 15.3522 18.7054 18.7124 18.8288 18.8397 k = 0.5000 0.1811 0.3562 ( 706 PWs) bands (ev): -5.9495 -5.9474 1.3640 1.3665 5.1532 5.1567 5.9376 5.9418 14.4001 14.4033 15.2703 15.2745 18.6633 18.6701 18.7675 18.7776 k = 0.5000 0.1868 0.3482 ( 706 PWs) bands (ev): -5.9670 -5.9651 1.3240 1.3265 5.2456 5.2490 5.9740 5.9780 14.4841 14.4870 15.2047 15.2084 18.6010 18.6051 18.7262 18.7331 k = 0.5000 0.1925 0.3402 ( 710 PWs) bands (ev): -5.9839 -5.9820 1.2861 1.2884 5.3367 5.3400 6.0081 6.0119 14.5525 14.5547 15.1590 15.1621 18.5282 18.5302 18.6924 18.6966 k = 0.5000 0.1981 0.3322 ( 704 PWs) bands (ev): -6.0001 -5.9983 1.2502 1.2524 5.4263 5.4296 6.0401 6.0437 14.5929 14.5945 15.1452 15.1480 18.4532 18.4541 18.6579 18.6606 k = 0.5000 0.2038 0.3242 ( 704 PWs) bands (ev): -6.0155 -6.0138 1.2164 1.2185 5.5139 5.5170 6.0698 6.0731 14.5961 14.5978 15.1721 15.1751 18.3792 18.3799 18.6199 18.6216 k = 0.5000 0.2094 0.3162 ( 704 PWs) bands (ev): -6.0301 -6.0286 1.1847 1.1866 5.5990 5.6021 6.0972 6.1004 14.5666 14.5687 15.2355 15.2390 18.3080 18.3087 18.5775 18.5785 k = 0.5000 0.2151 0.3082 ( 710 PWs) bands (ev): -6.0439 -6.0425 1.1550 1.1569 5.6811 5.6841 6.1225 6.1255 14.5170 14.5194 15.3234 15.3271 18.2405 18.2413 18.5302 18.5308 k = 0.5000 0.2208 0.3002 ( 706 PWs) bands (ev): -6.0568 -6.0555 1.1276 1.1293 5.7600 5.7628 6.1458 6.1486 14.4576 14.4600 15.4254 15.4293 18.1772 18.1780 18.4779 18.4786 k = 0.5000 0.2264 0.2922 ( 706 PWs) bands (ev): -6.0688 -6.0676 1.1023 1.1038 5.8350 5.8377 6.1670 6.1696 14.3945 14.3969 15.5352 15.5392 18.1183 18.1192 18.4209 18.4218 k = 0.5000 0.2321 0.2842 ( 712 PWs) bands (ev): -6.0799 -6.0787 1.0791 1.0805 5.9056 5.9080 6.1862 6.1885 14.3313 14.3335 15.6491 15.6531 18.0642 18.0650 18.3593 18.3605 k = 0.5000 0.2377 0.2762 ( 712 PWs) bands (ev): -6.0900 -6.0889 1.0581 1.0593 5.9714 5.9736 6.2035 6.2056 14.2701 14.2722 15.7646 15.7685 18.0149 18.0157 18.2940 18.2954 k = 0.5000 0.2434 0.2682 ( 710 PWs) bands (ev): -6.0990 -6.0981 1.0393 1.0404 6.0319 6.0340 6.2189 6.2207 14.2124 14.2143 15.8797 15.8835 17.9706 17.9713 18.2255 18.2271 k = 0.5000 0.2491 0.2602 ( 710 PWs) bands (ev): -6.1071 -6.1063 1.0226 1.0236 6.0865 6.0884 6.2324 6.2340 14.1594 14.1610 15.9925 15.9962 17.9314 17.9321 18.1550 18.1567 k = 0.5000 0.2547 0.2522 ( 710 PWs) bands (ev): -6.1141 -6.1134 1.0082 1.0091 6.1349 6.1365 6.2441 6.2455 14.1118 14.1133 16.1011 16.1046 17.8973 17.8979 18.0840 18.0857 k = 0.5000 0.2604 0.2441 ( 710 PWs) bands (ev): -6.1201 -6.1195 0.9960 0.9968 6.1766 6.1779 6.2541 6.2552 14.0704 14.0716 16.2031 16.2063 17.8684 17.8689 18.0143 18.0160 k = 0.5000 0.2660 0.2361 ( 710 PWs) bands (ev): -6.1250 -6.1245 0.9861 0.9866 6.2110 6.2121 6.2624 6.2633 14.0358 14.0368 16.2956 16.2984 17.8446 17.8450 17.9489 17.9505 k = 0.5000 0.2717 0.2281 ( 710 PWs) bands (ev): -6.1288 -6.1284 0.9783 0.9788 6.2378 6.2386 6.2694 6.2700 14.0084 14.0091 16.3749 16.3772 17.8258 17.8262 17.8913 17.8925 k = 0.5000 0.2774 0.2201 ( 710 PWs) bands (ev): -6.1315 -6.1312 0.9728 0.9731 6.2560 6.2565 6.2756 6.2759 13.9886 13.9891 16.4366 16.4383 17.8115 17.8119 17.8462 17.8470 k = 0.5000 0.2830 0.2121 ( 712 PWs) bands (ev): -6.1331 -6.1330 0.9695 0.9697 6.2655 6.2656 6.2808 6.2809 13.9766 13.9769 16.4764 16.4772 17.8002 17.8006 17.8195 17.8197 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -6.1336 -6.1336 0.9685 0.9685 6.2680 6.2680 6.2830 6.2830 13.9727 13.9727 16.4904 16.4904 17.7946 17.7946 17.8121 17.8121 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -6.1336 -6.1336 0.9685 0.9685 6.2680 6.2680 6.2830 6.2830 13.9727 13.9727 16.4904 16.4904 17.7946 17.7946 17.8121 17.8121 k = 0.4972 0.2870 0.2134 ( 713 PWs) bands (ev): -6.1331 -6.1330 0.9695 0.9697 6.2654 6.2656 6.2808 6.2808 13.9766 13.9769 16.4763 16.4771 17.8002 17.8007 17.8196 17.8197 k = 0.4943 0.2854 0.2227 ( 711 PWs) bands (ev): -6.1315 -6.1312 0.9729 0.9731 6.2559 6.2563 6.2756 6.2757 13.9887 13.9892 16.4363 16.4379 17.8116 17.8119 17.8465 17.8472 k = 0.4915 0.2838 0.2320 ( 709 PWs) bands (ev): -6.1287 -6.1284 0.9784 0.9788 6.2376 6.2381 6.2697 6.2698 14.0086 14.0094 16.3741 16.3764 17.8260 17.8262 17.8920 17.8932 k = 0.4886 0.2821 0.2412 ( 709 PWs) bands (ev): -6.1249 -6.1244 0.9862 0.9868 6.2106 6.2113 6.2629 6.2630 14.0362 14.0372 16.2943 16.2971 17.8449 17.8451 17.9500 17.9515 k = 0.4858 0.2805 0.2505 ( 709 PWs) bands (ev): -6.1200 -6.1194 0.9963 0.9970 6.1758 6.1766 6.2548 6.2549 14.0710 14.0723 16.2014 16.2046 17.8688 17.8689 18.0159 18.0176 k = 0.4830 0.2788 0.2598 ( 709 PWs) bands (ev): -6.1140 -6.1133 1.0085 1.0094 6.1335 6.1345 6.2453 6.2453 14.1126 14.1140 16.0991 16.1026 17.8977 17.8978 18.0861 18.0878 k = 0.4801 0.2772 0.2691 ( 709 PWs) bands (ev): -6.1069 -6.1061 1.0231 1.0241 6.0843 6.0854 6.2342 6.2343 14.1601 14.1618 15.9905 15.9942 17.9315 17.9316 18.1578 18.1594 k = 0.4773 0.2756 0.2784 ( 709 PWs) bands (ev): -6.0988 -6.0979 1.0398 1.0409 6.0284 6.0297 6.2217 6.2217 14.2126 14.2145 15.8783 15.8821 17.9703 17.9703 18.2290 18.2306 k = 0.4744 0.2739 0.2876 ( 711 PWs) bands (ev): -6.0896 -6.0886 1.0587 1.0600 5.9664 5.9677 6.2076 6.2077 14.2689 14.2710 15.7648 15.7687 18.0138 18.0139 18.2983 18.2997 k = 0.4716 0.2723 0.2969 ( 713 PWs) bands (ev): -6.0795 -6.0783 1.0799 1.0813 5.8985 5.8999 6.1922 6.1922 14.3272 14.3294 15.6526 15.6565 18.0621 18.0621 18.3646 18.3658 k = 0.4688 0.2706 0.3062 ( 711 PWs) bands (ev): -6.0684 -6.0671 1.1033 1.1048 5.8254 5.8269 6.1754 6.1754 14.3849 14.3871 15.5449 15.5488 18.1148 18.1149 18.4273 18.4283 k = 0.4659 0.2690 0.3155 ( 707 PWs) bands (ev): -6.0563 -6.0549 1.1288 1.1305 5.7474 5.7490 6.1574 6.1574 14.4378 14.4400 15.4461 15.4498 18.1721 18.1721 18.4858 18.4866 k = 0.4631 0.2674 0.3247 ( 709 PWs) bands (ev): -6.0433 -6.0418 1.1565 1.1583 5.6648 5.6665 6.1381 6.1382 14.4797 14.4817 15.3624 15.3657 18.2335 18.2335 18.5397 18.5403 k = 0.4602 0.2657 0.3340 ( 707 PWs) bands (ev): -6.0294 -6.0278 1.1863 1.1882 5.5782 5.5800 6.1178 6.1178 14.5021 14.5035 15.3028 15.3053 18.2990 18.2990 18.5891 18.5894 k = 0.4574 0.2641 0.3433 ( 707 PWs) bands (ev): -6.0147 -6.0130 1.2182 1.2203 5.4880 5.4899 6.0963 6.0964 14.4959 14.4965 15.2760 15.2775 18.3683 18.3683 18.6339 18.6340 k = 0.4545 0.2624 0.3526 ( 703 PWs) bands (ev): -5.9992 -5.9974 1.2523 1.2545 5.3946 5.3965 6.0740 6.0740 14.4569 14.4573 15.2856 15.2860 18.4413 18.4414 18.6740 18.6742 k = 0.4517 0.2608 0.3619 ( 703 PWs) bands (ev): -5.9829 -5.9811 1.2884 1.2908 5.2983 5.3004 6.0508 6.0508 14.3893 14.3906 15.3261 15.3267 18.5178 18.5178 18.7098 18.7102 k = 0.4489 0.2592 0.3711 ( 706 PWs) bands (ev): -5.9660 -5.9640 1.3266 1.3291 5.1996 5.2017 6.0267 6.0267 14.3022 14.3040 15.3893 15.3906 18.5973 18.5973 18.7415 18.7422 k = 0.4460 0.2575 0.3804 ( 706 PWs) bands (ev): -5.9484 -5.9463 1.3668 1.3694 5.0989 5.1010 6.0020 6.0020 14.2029 14.2051 15.4677 15.4695 18.6798 18.6798 18.7696 18.7705 k = 0.4432 0.2559 0.3897 ( 702 PWs) bands (ev): -5.9302 -5.9280 1.4091 1.4118 4.9965 4.9988 5.9767 5.9767 14.0967 14.0991 15.5558 15.5581 18.7645 18.7647 18.7949 18.7960 k = 0.4403 0.2542 0.3990 ( 702 PWs) bands (ev): -5.9115 -5.9092 1.4532 1.4561 4.8928 4.8951 5.9508 5.9509 13.9865 13.9891 15.6499 15.6524 18.8156 18.8172 18.8533 18.8535 k = 0.4375 0.2526 0.4082 ( 704 PWs) bands (ev): -5.8923 -5.8900 1.4993 1.5023 4.7881 4.7904 5.9246 5.9246 13.8746 13.8772 15.7474 15.7501 18.8357 18.8375 18.9428 18.9428 k = 0.4347 0.2510 0.4175 ( 703 PWs) bands (ev): -5.8727 -5.8703 1.5473 1.5504 4.6827 4.6851 5.8979 5.8979 13.7621 13.7648 15.8464 15.8494 18.8539 18.8559 19.0342 19.0343 k = 0.4318 0.2493 0.4268 ( 705 PWs) bands (ev): -5.8528 -5.8503 1.5971 1.6003 4.5770 4.5794 5.8711 5.8711 13.6500 13.6527 15.9456 15.9486 18.8710 18.8732 19.1272 19.1272 k = 0.4290 0.2477 0.4361 ( 705 PWs) bands (ev): -5.8327 -5.8301 1.6487 1.6520 4.4713 4.4738 5.8440 5.8440 13.5388 13.5415 16.0435 16.0466 18.8877 18.8901 19.2213 19.2213 k = 0.4261 0.2460 0.4454 ( 707 PWs) bands (ev): -5.8124 -5.8097 1.7020 1.7054 4.3659 4.3684 5.8169 5.8169 13.4291 13.4317 16.1390 16.1422 18.9047 18.9072 19.3162 19.3162 k = 0.4233 0.2444 0.4546 ( 706 PWs) bands (ev): -5.7920 -5.7893 1.7570 1.7605 4.2612 4.2637 5.7897 5.7897 13.3211 13.3236 16.2312 16.2344 18.9227 18.9253 19.4115 19.4115 k = 0.4205 0.2427 0.4639 ( 706 PWs) bands (ev): -5.7716 -5.7689 1.8135 1.8171 4.1574 4.1599 5.7627 5.7627 13.2151 13.2176 16.3189 16.3221 18.9424 18.9452 19.5069 19.5069 k = 0.4176 0.2411 0.4732 ( 702 PWs) bands (ev): -5.7514 -5.7486 1.8714 1.8752 4.0548 4.0574 5.7358 5.7358 13.1113 13.1137 16.4012 16.4044 18.9645 18.9674 19.6020 19.6021 k = 0.4148 0.2395 0.4825 ( 702 PWs) bands (ev): -5.7313 -5.7284 1.9307 1.9346 3.9538 3.9564 5.7091 5.7091 13.0099 13.0122 16.4773 16.4803 18.9896 18.9925 19.6964 19.6964 k = 0.4119 0.2378 0.4918 ( 702 PWs) bands (ev): -5.7116 -5.7087 1.9912 1.9951 3.8548 3.8574 5.6827 5.6827 12.9110 12.9132 16.5463 16.5492 19.0182 19.0212 19.7897 19.7897 k = 0.4091 0.2362 0.5010 ( 702 PWs) bands (ev): -5.6922 -5.6893 2.0527 2.0567 3.7580 3.7607 5.6567 5.6567 12.8146 12.8167 16.6075 16.6102 19.0507 19.0537 19.8815 19.8815 k = 0.4062 0.2345 0.5103 ( 704 PWs) bands (ev): -5.6734 -5.6704 2.1149 2.1189 3.6640 3.6667 5.6311 5.6311 12.7210 12.7230 16.6605 16.6630 19.0873 19.0903 19.9714 19.9715 k = 0.4034 0.2329 0.5196 ( 704 PWs) bands (ev): -5.6553 -5.6522 2.1776 2.1816 3.5733 3.5760 5.6060 5.6060 12.6302 12.6321 16.7050 16.7073 19.1280 19.1310 20.0592 20.0592 k = 0.4006 0.2313 0.5289 ( 703 PWs) bands (ev): -5.6378 -5.6347 2.2401 2.2443 3.4864 3.4892 5.5814 5.5814 12.5423 12.5440 16.7408 16.7428 19.1726 19.1754 20.1444 20.1445 k = 0.3977 0.2296 0.5381 ( 705 PWs) bands (ev): -5.6213 -5.6182 2.3020 2.3061 3.4042 3.4070 5.5574 5.5574 12.4572 12.4589 16.7680 16.7698 19.2203 19.2231 20.2268 20.2268 k = 0.3949 0.2280 0.5474 ( 707 PWs) bands (ev): -5.6057 -5.6026 2.3622 2.3663 3.3279 3.3308 5.5341 5.5341 12.3752 12.3767 16.7869 16.7885 19.2705 19.2732 20.3060 20.3060 k = 0.3920 0.2263 0.5567 ( 707 PWs) bands (ev): -5.5912 -5.5881 2.4192 2.4233 3.2590 3.2620 5.5115 5.5115 12.2962 12.2976 16.7980 16.7993 19.3224 19.3250 20.3818 20.3819 k = 0.3892 0.2247 0.5660 ( 709 PWs) bands (ev): -5.5779 -5.5748 2.4709 2.4748 3.1998 3.2030 5.4897 5.4897 12.2202 12.2215 16.8017 16.8029 19.3746 19.3772 20.4540 20.4541 k = 0.3864 0.2231 0.5753 ( 707 PWs) bands (ev): -5.5660 -5.5629 2.5139 2.5176 3.1539 3.1574 5.4688 5.4688 12.1474 12.1486 16.7989 16.7998 19.4260 19.4286 20.5225 20.5226 k = 0.3835 0.2214 0.5845 ( 709 PWs) bands (ev): -5.5556 -5.5525 2.5442 2.5475 3.1254 3.1292 5.4486 5.4486 12.0778 12.0788 16.7900 16.7908 19.4753 19.4777 20.5871 20.5872 k = 0.3807 0.2198 0.5938 ( 707 PWs) bands (ev): -5.5467 -5.5436 2.5579 2.5608 3.1181 3.1224 5.4295 5.4295 12.0114 12.0123 16.7760 16.7766 19.5211 19.5234 20.6478 20.6479 k = 0.3778 0.2181 0.6031 ( 706 PWs) bands (ev): -5.5395 -5.5365 2.5542 2.5567 3.1331 3.1378 5.4112 5.4112 11.9482 11.9490 16.7574 16.7578 19.5622 19.5645 20.7045 20.7046 k = 0.3750 0.2165 0.6124 ( 706 PWs) bands (ev): -5.5342 -5.5311 2.5360 2.5382 3.1676 3.1725 5.3939 5.3939 11.8884 11.8890 16.7349 16.7352 19.5975 19.5997 20.7572 20.7573 k = 0.6250-0.0722 0.4082 ( 706 PWs) bands (ev): -5.5342 -5.5311 2.5360 2.5382 3.1676 3.1725 5.3939 5.3939 11.8884 11.8890 16.7349 16.7352 19.5975 19.5997 20.7572 20.7573 k = 0.6202-0.0805 0.4082 ( 706 PWs) bands (ev): -5.5272 -5.5243 2.4948 2.4967 3.2425 3.2478 5.3658 5.3658 11.7902 11.7906 16.6897 16.6898 19.6514 19.6534 20.8431 20.8433 k = 0.6154-0.0888 0.4082 ( 710 PWs) bands (ev): -5.5214 -5.5185 2.4532 2.4547 3.3222 3.3277 5.3385 5.3385 11.6928 11.6929 16.6365 16.6365 19.7045 19.7062 20.9290 20.9291 k = 0.6106-0.0972 0.4082 ( 710 PWs) bands (ev): -5.5166 -5.5137 2.4119 2.4132 3.4056 3.4113 5.3121 5.3121 11.5961 11.5961 16.5762 16.5763 19.7568 19.7582 21.0145 21.0147 k = 0.6058-0.1055 0.4082 ( 710 PWs) bands (ev): -5.5126 -5.5098 2.3713 2.3725 3.4919 3.4977 5.2865 5.2865 11.5001 11.5003 16.5098 16.5100 19.8081 19.8093 21.0994 21.0996 k = 0.6010-0.1138 0.4082 ( 710 PWs) bands (ev): -5.5095 -5.5068 2.3319 2.3329 3.5806 3.5864 5.2618 5.2618 11.4049 11.4053 16.4383 16.4386 19.8584 19.8594 21.1835 21.1837 k = 0.5962-0.1221 0.4082 ( 710 PWs) bands (ev): -5.5071 -5.5045 2.2937 2.2946 3.6710 3.6769 5.2380 5.2380 11.3107 11.3113 16.3628 16.3632 19.9075 19.9084 21.2665 21.2667 k = 0.5913-0.1305 0.4082 ( 710 PWs) bands (ev): -5.5054 -5.5029 2.2570 2.2578 3.7627 3.7686 5.2152 5.2152 11.2175 11.2183 16.2844 16.2847 19.9554 19.9561 21.3480 21.3482 k = 0.5865-0.1388 0.4082 ( 704 PWs) bands (ev): -5.5043 -5.5019 2.2218 2.2226 3.8554 3.8612 5.1933 5.1934 11.1255 11.1265 16.2041 16.2044 20.0019 20.0025 21.4279 21.4281 k = 0.5817-0.1471 0.4082 ( 704 PWs) bands (ev): -5.5037 -5.5014 2.1883 2.1890 3.9482 3.9540 5.1725 5.1725 11.0349 11.0360 16.1229 16.1232 20.0469 20.0473 21.5057 21.5060 k = 0.5769-0.1554 0.4082 ( 706 PWs) bands (ev): -5.5035 -5.5013 2.1565 2.1571 4.0408 4.0464 5.1528 5.1528 10.9458 10.9470 16.0417 16.0421 20.0902 20.0905 21.5812 21.5816 k = 0.5721-0.1638 0.4082 ( 706 PWs) bands (ev): -5.5037 -5.5017 2.1264 2.1269 4.1327 4.1382 5.1341 5.1341 10.8585 10.8599 15.9616 15.9620 20.1317 20.1320 21.6541 21.6545 k = 0.5673-0.1721 0.4082 ( 710 PWs) bands (ev): -5.5042 -5.5023 2.0981 2.0986 4.2232 4.2286 5.1165 5.1165 10.7733 10.7747 15.8833 15.8836 20.1713 20.1714 21.7242 21.7246 k = 0.5625-0.1804 0.4082 ( 710 PWs) bands (ev): -5.5050 -5.5031 2.0716 2.0721 4.3120 4.3172 5.1000 5.1000 10.6905 10.6921 15.8076 15.8079 20.2087 20.2088 21.7910 21.7915 k = 0.5577-0.1887 0.4082 ( 712 PWs) bands (ev): -5.5059 -5.5042 2.0470 2.0474 4.3982 4.4032 5.0846 5.0846 10.6106 10.6122 15.7351 15.7354 20.2440 20.2441 21.8543 21.8549 k = 0.5529-0.1971 0.4082 ( 712 PWs) bands (ev): -5.5069 -5.5054 2.0243 2.0247 4.4814 4.4861 5.0704 5.0704 10.5340 10.5356 15.6665 15.6668 20.2770 20.2770 21.9138 21.9145 k = 0.5481-0.2054 0.4082 ( 712 PWs) bands (ev): -5.5080 -5.5066 2.0035 2.0038 4.5607 4.5651 5.0574 5.0574 10.4612 10.4628 15.6023 15.6025 20.3074 20.3074 21.9692 21.9700 k = 0.5433-0.2137 0.4082 ( 712 PWs) bands (ev): -5.5092 -5.5079 1.9846 1.9849 4.6356 4.6397 5.0456 5.0456 10.3928 10.3943 15.5430 15.5432 20.3353 20.3353 22.0202 22.0212 k = 0.5385-0.2221 0.4082 ( 712 PWs) bands (ev): -5.5103 -5.5091 1.9677 1.9680 4.7052 4.7090 5.0350 5.0350 10.3292 10.3307 15.4889 15.4890 20.3605 20.3606 22.0665 22.0677 k = 0.5337-0.2304 0.4082 ( 712 PWs) bands (ev): -5.5114 -5.5103 1.9527 1.9530 4.7689 4.7723 5.0256 5.0256 10.2712 10.2726 15.4404 15.4405 20.3830 20.3831 22.1079 22.1094 k = 0.5288-0.2387 0.4082 ( 712 PWs) bands (ev): -5.5123 -5.5115 1.9398 1.9399 4.8260 4.8290 5.0174 5.0174 10.2193 10.2206 15.3978 15.3980 20.4027 20.4027 22.1441 22.1459 k = 0.5240-0.2470 0.4082 ( 712 PWs) bands (ev): -5.5132 -5.5125 1.9287 1.9289 4.8757 4.8782 5.0105 5.0105 10.1742 10.1754 15.3614 15.3615 20.4194 20.4195 22.1749 22.1770 k = 0.5192-0.2554 0.4082 ( 708 PWs) bands (ev): -5.5140 -5.5134 1.9197 1.9198 4.9175 4.9196 5.0048 5.0048 10.1364 10.1374 15.3314 15.3315 20.4332 20.4333 22.2003 22.2026 k = 0.5144-0.2637 0.4082 ( 704 PWs) bands (ev): -5.5145 -5.5141 1.9127 1.9128 4.9507 4.9523 5.0005 5.0005 10.1065 10.1072 15.3078 15.3079 20.4441 20.4441 22.2201 22.2223 k = 0.5096-0.2720 0.4082 ( 704 PWs) bands (ev): -5.5149 -5.5146 1.9077 1.9078 4.9749 4.9759 4.9973 4.9973 10.0848 10.0853 15.2910 15.2910 20.4518 20.4518 22.2343 22.2361 k = 0.5048-0.2803 0.4082 ( 700 PWs) bands (ev): -5.5151 -5.5150 1.9047 1.9048 4.9896 4.9902 4.9955 4.9955 10.0717 10.0719 15.2808 15.2808 20.4565 20.4565 22.2431 22.2440 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -5.5152 -5.5152 1.9038 1.9038 4.9949 4.9949 4.9949 4.9949 10.0674 10.0674 15.2774 15.2774 20.4582 20.4582 22.2465 22.2465 Writing output data file AlN.save init_run : 2.00s CPU 11.51s WALL ( 1 calls) electrons : 59.05s CPU 63.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.24s CPU 1.29s WALL ( 1 calls) Called by electrons: c_bands : 59.03s CPU 62.53s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.71s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.34s WALL ( 1 calls) newd : 0.25s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 473 calls) cegterg : 43.33s CPU 43.70s WALL ( 496 calls) Called by sum_band: Called by *egterg: h_psi : 25.32s CPU 28.41s WALL ( 7602 calls) s_psi : 0.29s CPU 0.69s WALL ( 7602 calls) g_psi : 0.02s CPU 0.10s WALL ( 6633 calls) cdiaghg : 10.40s CPU 10.48s WALL ( 7106 calls) cegterg:over : 3.37s CPU 2.83s WALL ( 6633 calls) cegterg:upda : 0.13s CPU 0.25s WALL ( 6633 calls) cegterg:last : 0.02s CPU 0.20s WALL ( 1788 calls) Called by h_psi: h_psi:vloc : 21.72s CPU 25.23s WALL ( 7602 calls) h_psi:vnl : 3.58s CPU 3.14s WALL ( 7602 calls) add_vuspsi : 0.15s CPU 0.47s WALL ( 7602 calls) General routines calbec : 3.42s CPU 2.57s WALL ( 7602 calls) fft : 0.45s CPU 1.42s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 20.96s CPU 24.05s WALL ( 343360 calls) interpolate : 0.02s CPU 0.12s WALL ( 4 calls) davcio : 0.04s CPU 0.54s WALL ( 946 calls) Parallel routines fft_scatter : 15.53s CPU 17.60s WALL ( 343383 calls) PWSCF : 1m18.61s CPU 2m 2.63s WALL This run was terminated on: 2:48:12 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=