Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ScN.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 13 4 556 196 33 Max 27 14 5 560 210 36 Sum 967 499 151 20107 7343 1243 bravais-lattice index = 14 lattice parameter (alat) = 5.9329 a.u. unit-cell volume = 147.6677 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.932897 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sc 11.00 44.95590 Sc( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 472 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 2) = ( 0.0070422 -0.0040658 0.0057500), wk = 0.0021186 k( 3) = ( 0.0140845 -0.0081317 0.0115000), wk = 0.0021186 k( 4) = ( 0.0211268 -0.0121975 0.0172499), wk = 0.0021186 k( 5) = ( 0.0281690 -0.0162634 0.0229999), wk = 0.0021186 k( 6) = ( 0.0352113 -0.0203292 0.0287499), wk = 0.0021186 k( 7) = ( 0.0422535 -0.0243951 0.0344999), wk = 0.0021186 k( 8) = ( 0.0492958 -0.0284609 0.0402498), wk = 0.0021186 k( 9) = ( 0.0563380 -0.0325268 0.0459998), wk = 0.0021186 k( 10) = ( 0.0633803 -0.0365926 0.0517498), wk = 0.0021186 k( 11) = ( 0.0704225 -0.0406585 0.0574998), wk = 0.0021186 k( 12) = ( 0.0774648 -0.0447243 0.0632497), wk = 0.0021186 k( 13) = ( 0.0845070 -0.0487902 0.0689997), wk = 0.0021186 k( 14) = ( 0.0915493 -0.0528560 0.0747497), wk = 0.0021186 k( 15) = ( 0.0985916 -0.0569219 0.0804997), wk = 0.0021186 k( 16) = ( 0.1056338 -0.0609877 0.0862496), wk = 0.0021186 k( 17) = ( 0.1126761 -0.0650536 0.0919996), wk = 0.0021186 k( 18) = ( 0.1197183 -0.0691194 0.0977496), wk = 0.0021186 k( 19) = ( 0.1267606 -0.0731852 0.1034996), wk = 0.0021186 k( 20) = ( 0.1338028 -0.0772511 0.1092495), wk = 0.0021186 k( 21) = ( 0.1408451 -0.0813169 0.1149995), wk = 0.0021186 k( 22) = ( 0.1478873 -0.0853828 0.1207495), wk = 0.0021186 k( 23) = ( 0.1549296 -0.0894486 0.1264995), wk = 0.0021186 k( 24) = ( 0.1619718 -0.0935145 0.1322494), wk = 0.0021186 k( 25) = ( 0.1690141 -0.0975803 0.1379994), wk = 0.0021186 k( 26) = ( 0.1760563 -0.1016462 0.1437494), wk = 0.0021186 k( 27) = ( 0.1830986 -0.1057120 0.1494994), wk = 0.0021186 k( 28) = ( 0.1901409 -0.1097779 0.1552494), wk = 0.0021186 k( 29) = ( 0.1971831 -0.1138437 0.1609993), wk = 0.0021186 k( 30) = ( 0.2042253 -0.1179096 0.1667493), wk = 0.0021186 k( 31) = ( 0.2112676 -0.1219754 0.1724993), wk = 0.0021186 k( 32) = ( 0.2183099 -0.1260413 0.1782493), wk = 0.0021186 k( 33) = ( 0.2253521 -0.1301071 0.1839992), wk = 0.0021186 k( 34) = ( 0.2323944 -0.1341730 0.1897492), wk = 0.0021186 k( 35) = ( 0.2394366 -0.1382388 0.1954992), wk = 0.0021186 k( 36) = ( 0.2464789 -0.1423046 0.2012492), wk = 0.0021186 k( 37) = ( 0.2535211 -0.1463705 0.2069991), wk = 0.0021186 k( 38) = ( 0.2605634 -0.1504363 0.2127491), wk = 0.0021186 k( 39) = ( 0.2676056 -0.1545022 0.2184991), wk = 0.0021186 k( 40) = ( 0.2746479 -0.1585680 0.2242491), wk = 0.0021186 k( 41) = ( 0.2816901 -0.1626339 0.2299990), wk = 0.0021186 k( 42) = ( 0.2887324 -0.1666997 0.2357490), wk = 0.0021186 k( 43) = ( 0.2957746 -0.1707656 0.2414990), wk = 0.0021186 k( 44) = ( 0.3028169 -0.1748314 0.2472490), wk = 0.0021186 k( 45) = ( 0.3098592 -0.1788973 0.2529989), wk = 0.0021186 k( 46) = ( 0.3169014 -0.1829631 0.2587489), wk = 0.0021186 k( 47) = ( 0.3239437 -0.1870290 0.2644989), wk = 0.0021186 k( 48) = ( 0.3309859 -0.1910948 0.2702489), wk = 0.0021186 k( 49) = ( 0.3380282 -0.1951607 0.2759988), wk = 0.0021186 k( 50) = ( 0.3450704 -0.1992265 0.2817488), wk = 0.0021186 k( 51) = ( 0.3521127 -0.2032924 0.2874988), wk = 0.0021186 k( 52) = ( 0.3591549 -0.2073582 0.2932488), wk = 0.0021186 k( 53) = ( 0.3661972 -0.2114240 0.2989987), wk = 0.0021186 k( 54) = ( 0.3732394 -0.2154899 0.3047487), wk = 0.0021186 k( 55) = ( 0.3802817 -0.2195557 0.3104987), wk = 0.0021186 k( 56) = ( 0.3873239 -0.2236216 0.3162487), wk = 0.0021186 k( 57) = ( 0.3943662 -0.2276874 0.3219987), wk = 0.0021186 k( 58) = ( 0.4014085 -0.2317533 0.3277486), wk = 0.0021186 k( 59) = ( 0.4084507 -0.2358191 0.3334986), wk = 0.0021186 k( 60) = ( 0.4154930 -0.2398850 0.3392486), wk = 0.0021186 k( 61) = ( 0.4225352 -0.2439508 0.3449986), wk = 0.0021186 k( 62) = ( 0.4295775 -0.2480167 0.3507485), wk = 0.0021186 k( 63) = ( 0.4366197 -0.2520825 0.3564985), wk = 0.0021186 k( 64) = ( 0.4436620 -0.2561484 0.3622485), wk = 0.0021186 k( 65) = ( 0.4507042 -0.2602142 0.3679985), wk = 0.0021186 k( 66) = ( 0.4577465 -0.2642801 0.3737484), wk = 0.0021186 k( 67) = ( 0.4647887 -0.2683459 0.3794984), wk = 0.0021186 k( 68) = ( 0.4718310 -0.2724117 0.3852484), wk = 0.0021186 k( 69) = ( 0.4788732 -0.2764776 0.3909984), wk = 0.0021186 k( 70) = ( 0.4859155 -0.2805434 0.3967483), wk = 0.0021186 k( 71) = ( 0.4929577 -0.2846093 0.4024983), wk = 0.0021186 k( 72) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021186 k( 73) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021186 k( 74) = ( 0.5000000 -0.2806564 0.4139184), wk = 0.0021186 k( 75) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0021186 k( 76) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0021186 k( 77) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0021186 k( 78) = ( 0.5000000 -0.2485814 0.4365989), wk = 0.0021186 k( 79) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0021186 k( 80) = ( 0.5000000 -0.2325439 0.4479391), wk = 0.0021186 k( 81) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0021186 k( 82) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0021186 k( 83) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0021186 k( 84) = ( 0.5000000 -0.2004688 0.4706196), wk = 0.0021186 k( 85) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0021186 k( 86) = ( 0.5000000 -0.1844313 0.4819598), wk = 0.0021186 k( 87) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0021186 k( 88) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0021186 k( 89) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0021186 k( 90) = ( 0.5000000 -0.1523563 0.5046403), wk = 0.0021186 k( 91) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0021186 k( 92) = ( 0.5000000 -0.1363188 0.5159805), wk = 0.0021186 k( 93) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0021186 k( 94) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0021186 k( 95) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0021186 k( 96) = ( 0.5000000 -0.1042438 0.5386609), wk = 0.0021186 k( 97) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0021186 k( 98) = ( 0.5000000 -0.0882063 0.5500012), wk = 0.0021186 k( 99) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0021186 k( 100) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0021186 k( 101) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0021186 k( 102) = ( 0.5000000 -0.0561313 0.5726816), wk = 0.0021186 k( 103) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0021186 k( 104) = ( 0.5000000 -0.0400938 0.5840219), wk = 0.0021186 k( 105) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0021186 k( 106) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0021186 k( 107) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0021186 k( 108) = ( 0.5000000 -0.0080187 0.6067023), wk = 0.0021186 k( 109) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021186 k( 110) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021186 k( 111) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0021186 k( 112) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0021186 k( 113) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0021186 k( 114) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0021186 k( 115) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0021186 k( 116) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0021186 k( 117) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0021186 k( 118) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0021186 k( 119) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0021186 k( 120) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0021186 k( 121) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0021186 k( 122) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0021186 k( 123) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0021186 k( 124) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0021186 k( 125) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0021186 k( 126) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0021186 k( 127) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0021186 k( 128) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0021186 k( 129) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0021186 k( 130) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0021186 k( 131) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0021186 k( 132) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0021186 k( 133) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0021186 k( 134) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0021186 k( 135) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0021186 k( 136) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021186 k( 137) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021186 k( 138) = ( 0.3700658 0.2136576 0.6043149), wk = 0.0021186 k( 139) = ( 0.3651316 0.2108088 0.5962574), wk = 0.0021186 k( 140) = ( 0.3601974 0.2079600 0.5881998), wk = 0.0021186 k( 141) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0021186 k( 142) = ( 0.3503289 0.2022625 0.5720848), wk = 0.0021186 k( 143) = ( 0.3453947 0.1994137 0.5640272), wk = 0.0021186 k( 144) = ( 0.3404605 0.1965650 0.5559697), wk = 0.0021186 k( 145) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0021186 k( 146) = ( 0.3305921 0.1908674 0.5398546), wk = 0.0021186 k( 147) = ( 0.3256579 0.1880187 0.5317971), wk = 0.0021186 k( 148) = ( 0.3207237 0.1851699 0.5237396), wk = 0.0021186 k( 149) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0021186 k( 150) = ( 0.3108553 0.1794724 0.5076245), wk = 0.0021186 k( 151) = ( 0.3059211 0.1766236 0.4995670), wk = 0.0021186 k( 152) = ( 0.3009868 0.1737748 0.4915095), wk = 0.0021186 k( 153) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0021186 k( 154) = ( 0.2911184 0.1680773 0.4753944), wk = 0.0021186 k( 155) = ( 0.2861842 0.1652285 0.4673369), wk = 0.0021186 k( 156) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0021186 k( 157) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0021186 k( 158) = ( 0.2713816 0.1566822 0.4431643), wk = 0.0021186 k( 159) = ( 0.2664474 0.1538335 0.4351067), wk = 0.0021186 k( 160) = ( 0.2615132 0.1509847 0.4270492), wk = 0.0021186 k( 161) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0021186 k( 162) = ( 0.2516447 0.1452872 0.4109341), wk = 0.0021186 k( 163) = ( 0.2467105 0.1424384 0.4028766), wk = 0.0021186 k( 164) = ( 0.2417763 0.1395896 0.3948191), wk = 0.0021186 k( 165) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0021186 k( 166) = ( 0.2319079 0.1338921 0.3787040), wk = 0.0021186 k( 167) = ( 0.2269737 0.1310433 0.3706465), wk = 0.0021186 k( 168) = ( 0.2220395 0.1281945 0.3625889), wk = 0.0021186 k( 169) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0021186 k( 170) = ( 0.2121710 0.1224970 0.3464739), wk = 0.0021186 k( 171) = ( 0.2072368 0.1196482 0.3384163), wk = 0.0021186 k( 172) = ( 0.2023026 0.1167995 0.3303588), wk = 0.0021186 k( 173) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0021186 k( 174) = ( 0.1924342 0.1111019 0.3142437), wk = 0.0021186 k( 175) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0021186 k( 176) = ( 0.1825658 0.1054044 0.2981287), wk = 0.0021186 k( 177) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0021186 k( 178) = ( 0.1726974 0.0997069 0.2820136), wk = 0.0021186 k( 179) = ( 0.1677632 0.0968581 0.2739561), wk = 0.0021186 k( 180) = ( 0.1628290 0.0940093 0.2658985), wk = 0.0021186 k( 181) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0021186 k( 182) = ( 0.1529605 0.0883118 0.2497835), wk = 0.0021186 k( 183) = ( 0.1480263 0.0854630 0.2417260), wk = 0.0021186 k( 184) = ( 0.1430921 0.0826143 0.2336684), wk = 0.0021186 k( 185) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0021186 k( 186) = ( 0.1332237 0.0769167 0.2175534), wk = 0.0021186 k( 187) = ( 0.1282895 0.0740680 0.2094958), wk = 0.0021186 k( 188) = ( 0.1233553 0.0712192 0.2014383), wk = 0.0021186 k( 189) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0021186 k( 190) = ( 0.1134868 0.0655217 0.1853232), wk = 0.0021186 k( 191) = ( 0.1085526 0.0626729 0.1772657), wk = 0.0021186 k( 192) = ( 0.1036184 0.0598241 0.1692082), wk = 0.0021186 k( 193) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0021186 k( 194) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0021186 k( 195) = ( 0.0888158 0.0512778 0.1450356), wk = 0.0021186 k( 196) = ( 0.0838816 0.0484291 0.1369780), wk = 0.0021186 k( 197) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0021186 k( 198) = ( 0.0740132 0.0427315 0.1208630), wk = 0.0021186 k( 199) = ( 0.0690790 0.0398828 0.1128054), wk = 0.0021186 k( 200) = ( 0.0641447 0.0370340 0.1047479), wk = 0.0021186 k( 201) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0021186 k( 202) = ( 0.0542763 0.0313364 0.0886328), wk = 0.0021186 k( 203) = ( 0.0493421 0.0284877 0.0805753), wk = 0.0021186 k( 204) = ( 0.0444079 0.0256389 0.0725178), wk = 0.0021186 k( 205) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0021186 k( 206) = ( 0.0345395 0.0199414 0.0564027), wk = 0.0021186 k( 207) = ( 0.0296053 0.0170926 0.0483452), wk = 0.0021186 k( 208) = ( 0.0246710 0.0142438 0.0402877), wk = 0.0021186 k( 209) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0021186 k( 210) = ( 0.0148026 0.0085463 0.0241726), wk = 0.0021186 k( 211) = ( 0.0098684 0.0056975 0.0161151), wk = 0.0021186 k( 212) = ( 0.0049342 0.0028488 0.0080575), wk = 0.0021186 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 215) = ( 0.0080645 0.0046561 0.0032923), wk = 0.0021186 k( 216) = ( 0.0161290 0.0093121 0.0065846), wk = 0.0021186 k( 217) = ( 0.0241936 0.0139682 0.0098770), wk = 0.0021186 k( 218) = ( 0.0322581 0.0186242 0.0131693), wk = 0.0021186 k( 219) = ( 0.0403226 0.0232803 0.0164616), wk = 0.0021186 k( 220) = ( 0.0483871 0.0279363 0.0197540), wk = 0.0021186 k( 221) = ( 0.0564516 0.0325924 0.0230463), wk = 0.0021186 k( 222) = ( 0.0645161 0.0372484 0.0263386), wk = 0.0021186 k( 223) = ( 0.0725806 0.0419045 0.0296309), wk = 0.0021186 k( 224) = ( 0.0806452 0.0465605 0.0329232), wk = 0.0021186 k( 225) = ( 0.0887097 0.0512166 0.0362156), wk = 0.0021186 k( 226) = ( 0.0967742 0.0558726 0.0395079), wk = 0.0021186 k( 227) = ( 0.1048387 0.0605287 0.0428002), wk = 0.0021186 k( 228) = ( 0.1129032 0.0651847 0.0460926), wk = 0.0021186 k( 229) = ( 0.1209677 0.0698408 0.0493849), wk = 0.0021186 k( 230) = ( 0.1290323 0.0744968 0.0526772), wk = 0.0021186 k( 231) = ( 0.1370968 0.0791529 0.0559695), wk = 0.0021186 k( 232) = ( 0.1451613 0.0838089 0.0592618), wk = 0.0021186 k( 233) = ( 0.1532258 0.0884650 0.0625542), wk = 0.0021186 k( 234) = ( 0.1612903 0.0931210 0.0658465), wk = 0.0021186 k( 235) = ( 0.1693548 0.0977771 0.0691388), wk = 0.0021186 k( 236) = ( 0.1774194 0.1024331 0.0724311), wk = 0.0021186 k( 237) = ( 0.1854839 0.1070892 0.0757235), wk = 0.0021186 k( 238) = ( 0.1935484 0.1117452 0.0790158), wk = 0.0021186 k( 239) = ( 0.2016129 0.1164013 0.0823081), wk = 0.0021186 k( 240) = ( 0.2096774 0.1210573 0.0856004), wk = 0.0021186 k( 241) = ( 0.2177419 0.1257134 0.0888928), wk = 0.0021186 k( 242) = ( 0.2258064 0.1303694 0.0921851), wk = 0.0021186 k( 243) = ( 0.2338710 0.1350255 0.0954774), wk = 0.0021186 k( 244) = ( 0.2419355 0.1396815 0.0987697), wk = 0.0021186 k( 245) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0021186 k( 246) = ( 0.2580645 0.1489936 0.1053544), wk = 0.0021186 k( 247) = ( 0.2661290 0.1536497 0.1086467), wk = 0.0021186 k( 248) = ( 0.2741936 0.1583057 0.1119390), wk = 0.0021186 k( 249) = ( 0.2822581 0.1629618 0.1152314), wk = 0.0021186 k( 250) = ( 0.2903226 0.1676178 0.1185237), wk = 0.0021186 k( 251) = ( 0.2983871 0.1722739 0.1218160), wk = 0.0021186 k( 252) = ( 0.3064516 0.1769299 0.1251083), wk = 0.0021186 k( 253) = ( 0.3145161 0.1815860 0.1284007), wk = 0.0021186 k( 254) = ( 0.3225807 0.1862420 0.1316930), wk = 0.0021186 k( 255) = ( 0.3306452 0.1908981 0.1349853), wk = 0.0021186 k( 256) = ( 0.3387097 0.1955541 0.1382776), wk = 0.0021186 k( 257) = ( 0.3467742 0.2002102 0.1415700), wk = 0.0021186 k( 258) = ( 0.3548387 0.2048662 0.1448623), wk = 0.0021186 k( 259) = ( 0.3629032 0.2095223 0.1481546), wk = 0.0021186 k( 260) = ( 0.3709677 0.2141783 0.1514469), wk = 0.0021186 k( 261) = ( 0.3790323 0.2188344 0.1547393), wk = 0.0021186 k( 262) = ( 0.3870968 0.2234904 0.1580316), wk = 0.0021186 k( 263) = ( 0.3951613 0.2281465 0.1613239), wk = 0.0021186 k( 264) = ( 0.4032258 0.2328025 0.1646162), wk = 0.0021186 k( 265) = ( 0.4112903 0.2374586 0.1679086), wk = 0.0021186 k( 266) = ( 0.4193548 0.2421146 0.1712009), wk = 0.0021186 k( 267) = ( 0.4274193 0.2467707 0.1744932), wk = 0.0021186 k( 268) = ( 0.4354839 0.2514267 0.1777855), wk = 0.0021186 k( 269) = ( 0.4435484 0.2560828 0.1810779), wk = 0.0021186 k( 270) = ( 0.4516129 0.2607388 0.1843702), wk = 0.0021186 k( 271) = ( 0.4596774 0.2653949 0.1876625), wk = 0.0021186 k( 272) = ( 0.4677419 0.2700509 0.1909548), wk = 0.0021186 k( 273) = ( 0.4758064 0.2747070 0.1942472), wk = 0.0021186 k( 274) = ( 0.4838710 0.2793630 0.1975395), wk = 0.0021186 k( 275) = ( 0.4919355 0.2840191 0.2008318), wk = 0.0021186 k( 276) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021186 k( 277) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021186 k( 278) = ( 0.5028409 0.2804741 0.2087633), wk = 0.0021186 k( 279) = ( 0.5056818 0.2722731 0.2134025), wk = 0.0021186 k( 280) = ( 0.5085227 0.2640721 0.2180417), wk = 0.0021186 k( 281) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0021186 k( 282) = ( 0.5142045 0.2476701 0.2273201), wk = 0.0021186 k( 283) = ( 0.5170455 0.2394691 0.2319593), wk = 0.0021186 k( 284) = ( 0.5198864 0.2312681 0.2365984), wk = 0.0021186 k( 285) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0021186 k( 286) = ( 0.5255682 0.2148662 0.2458768), wk = 0.0021186 k( 287) = ( 0.5284091 0.2066652 0.2505160), wk = 0.0021186 k( 288) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0021186 k( 289) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0021186 k( 290) = ( 0.5369318 0.1820622 0.2644336), wk = 0.0021186 k( 291) = ( 0.5397727 0.1738612 0.2690727), wk = 0.0021186 k( 292) = ( 0.5426136 0.1656602 0.2737119), wk = 0.0021186 k( 293) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0021186 k( 294) = ( 0.5482955 0.1492582 0.2829903), wk = 0.0021186 k( 295) = ( 0.5511364 0.1410572 0.2876295), wk = 0.0021186 k( 296) = ( 0.5539773 0.1328562 0.2922687), wk = 0.0021186 k( 297) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0021186 k( 298) = ( 0.5596591 0.1164542 0.3015470), wk = 0.0021186 k( 299) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0021186 k( 300) = ( 0.5653409 0.1000522 0.3108254), wk = 0.0021186 k( 301) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0021186 k( 302) = ( 0.5710227 0.0836502 0.3201038), wk = 0.0021186 k( 303) = ( 0.5738636 0.0754492 0.3247430), wk = 0.0021186 k( 304) = ( 0.5767045 0.0672482 0.3293821), wk = 0.0021186 k( 305) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0021186 k( 306) = ( 0.5823864 0.0508462 0.3386605), wk = 0.0021186 k( 307) = ( 0.5852273 0.0426452 0.3432997), wk = 0.0021186 k( 308) = ( 0.5880682 0.0344442 0.3479389), wk = 0.0021186 k( 309) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0021186 k( 310) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0021186 k( 311) = ( 0.5965909 0.0098412 0.3618564), wk = 0.0021186 k( 312) = ( 0.5994318 0.0016402 0.3664956), wk = 0.0021186 k( 313) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0021186 k( 314) = ( 0.6051136 -0.0147618 0.3757740), wk = 0.0021186 k( 315) = ( 0.6079545 -0.0229628 0.3804132), wk = 0.0021186 k( 316) = ( 0.6107955 -0.0311638 0.3850524), wk = 0.0021186 k( 317) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0021186 k( 318) = ( 0.6164773 -0.0475658 0.3943307), wk = 0.0021186 k( 319) = ( 0.6193182 -0.0557668 0.3989699), wk = 0.0021186 k( 320) = ( 0.6221591 -0.0639678 0.4036091), wk = 0.0021186 k( 321) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021186 k( 322) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021186 k( 323) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0021186 k( 324) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0021186 k( 325) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0021186 k( 326) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0021186 k( 327) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0021186 k( 328) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0021186 k( 329) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0021186 k( 330) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0021186 k( 331) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0021186 k( 332) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0021186 k( 333) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0021186 k( 334) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0021186 k( 335) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0021186 k( 336) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0021186 k( 337) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0021186 k( 338) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0021186 k( 339) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0021186 k( 340) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0021186 k( 341) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0021186 k( 342) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0021186 k( 343) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0021186 k( 344) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0021186 k( 345) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0021186 k( 346) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0021186 k( 347) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0021186 k( 348) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021186 k( 349) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021186 k( 350) = ( 0.5000000 0.0056603 0.6043676), wk = 0.0021186 k( 351) = ( 0.5000000 0.0113206 0.5963627), wk = 0.0021186 k( 352) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0021186 k( 353) = ( 0.5000000 0.0226412 0.5803530), wk = 0.0021186 k( 354) = ( 0.5000000 0.0283015 0.5723481), wk = 0.0021186 k( 355) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0021186 k( 356) = ( 0.5000000 0.0396221 0.5563383), wk = 0.0021186 k( 357) = ( 0.5000000 0.0452824 0.5483335), wk = 0.0021186 k( 358) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0021186 k( 359) = ( 0.5000000 0.0566030 0.5323237), wk = 0.0021186 k( 360) = ( 0.5000000 0.0622633 0.5243189), wk = 0.0021186 k( 361) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0021186 k( 362) = ( 0.5000000 0.0735839 0.5083091), wk = 0.0021186 k( 363) = ( 0.5000000 0.0792442 0.5003043), wk = 0.0021186 k( 364) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0021186 k( 365) = ( 0.5000000 0.0905647 0.4842945), wk = 0.0021186 k( 366) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0021186 k( 367) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0021186 k( 368) = ( 0.5000000 0.1075456 0.4602799), wk = 0.0021186 k( 369) = ( 0.5000000 0.1132059 0.4522751), wk = 0.0021186 k( 370) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0021186 k( 371) = ( 0.5000000 0.1245265 0.4362653), wk = 0.0021186 k( 372) = ( 0.5000000 0.1301868 0.4282605), wk = 0.0021186 k( 373) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0021186 k( 374) = ( 0.5000000 0.1415074 0.4122507), wk = 0.0021186 k( 375) = ( 0.5000000 0.1471677 0.4042459), wk = 0.0021186 k( 376) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0021186 k( 377) = ( 0.5000000 0.1584883 0.3882361), wk = 0.0021186 k( 378) = ( 0.5000000 0.1641486 0.3802313), wk = 0.0021186 k( 379) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0021186 k( 380) = ( 0.5000000 0.1754692 0.3642215), wk = 0.0021186 k( 381) = ( 0.5000000 0.1811295 0.3562166), wk = 0.0021186 k( 382) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0021186 k( 383) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0021186 k( 384) = ( 0.5000000 0.1981104 0.3322020), wk = 0.0021186 k( 385) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0021186 k( 386) = ( 0.5000000 0.2094310 0.3161923), wk = 0.0021186 k( 387) = ( 0.5000000 0.2150913 0.3081874), wk = 0.0021186 k( 388) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0021186 k( 389) = ( 0.5000000 0.2264119 0.2921777), wk = 0.0021186 k( 390) = ( 0.5000000 0.2320722 0.2841728), wk = 0.0021186 k( 391) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0021186 k( 392) = ( 0.5000000 0.2433928 0.2681631), wk = 0.0021186 k( 393) = ( 0.5000000 0.2490531 0.2601582), wk = 0.0021186 k( 394) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0021186 k( 395) = ( 0.5000000 0.2603737 0.2441485), wk = 0.0021186 k( 396) = ( 0.5000000 0.2660340 0.2361436), wk = 0.0021186 k( 397) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0021186 k( 398) = ( 0.5000000 0.2773545 0.2201339), wk = 0.0021186 k( 399) = ( 0.5000000 0.2830148 0.2121290), wk = 0.0021186 k( 400) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021186 k( 401) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021186 k( 402) = ( 0.4971591 0.2870349 0.2134025), wk = 0.0021186 k( 403) = ( 0.4943182 0.2853947 0.2226809), wk = 0.0021186 k( 404) = ( 0.4914773 0.2837545 0.2319593), wk = 0.0021186 k( 405) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0021186 k( 406) = ( 0.4857955 0.2804741 0.2505160), wk = 0.0021186 k( 407) = ( 0.4829545 0.2788339 0.2597944), wk = 0.0021186 k( 408) = ( 0.4801136 0.2771937 0.2690727), wk = 0.0021186 k( 409) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0021186 k( 410) = ( 0.4744318 0.2739133 0.2876295), wk = 0.0021186 k( 411) = ( 0.4715909 0.2722731 0.2969078), wk = 0.0021186 k( 412) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0021186 k( 413) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0021186 k( 414) = ( 0.4630682 0.2673525 0.3247430), wk = 0.0021186 k( 415) = ( 0.4602273 0.2657123 0.3340213), wk = 0.0021186 k( 416) = ( 0.4573864 0.2640721 0.3432997), wk = 0.0021186 k( 417) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0021186 k( 418) = ( 0.4517045 0.2607917 0.3618564), wk = 0.0021186 k( 419) = ( 0.4488636 0.2591515 0.3711348), wk = 0.0021186 k( 420) = ( 0.4460227 0.2575113 0.3804132), wk = 0.0021186 k( 421) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0021186 k( 422) = ( 0.4403409 0.2542309 0.3989699), wk = 0.0021186 k( 423) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0021186 k( 424) = ( 0.4346591 0.2509505 0.4175267), wk = 0.0021186 k( 425) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0021186 k( 426) = ( 0.4289773 0.2476701 0.4360834), wk = 0.0021186 k( 427) = ( 0.4261364 0.2460299 0.4453618), wk = 0.0021186 k( 428) = ( 0.4232955 0.2443897 0.4546401), wk = 0.0021186 k( 429) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0021186 k( 430) = ( 0.4176136 0.2411093 0.4731969), wk = 0.0021186 k( 431) = ( 0.4147727 0.2394691 0.4824753), wk = 0.0021186 k( 432) = ( 0.4119318 0.2378289 0.4917536), wk = 0.0021186 k( 433) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0021186 k( 434) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0021186 k( 435) = ( 0.4034091 0.2329083 0.5195887), wk = 0.0021186 k( 436) = ( 0.4005682 0.2312681 0.5288671), wk = 0.0021186 k( 437) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0021186 k( 438) = ( 0.3948864 0.2279877 0.5474238), wk = 0.0021186 k( 439) = ( 0.3920455 0.2263475 0.5567022), wk = 0.0021186 k( 440) = ( 0.3892045 0.2247074 0.5659806), wk = 0.0021186 k( 441) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0021186 k( 442) = ( 0.3835227 0.2214270 0.5845373), wk = 0.0021186 k( 443) = ( 0.3806818 0.2197868 0.5938157), wk = 0.0021186 k( 444) = ( 0.3778409 0.2181466 0.6030941), wk = 0.0021186 k( 445) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021186 k( 446) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021186 k( 447) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0021186 k( 448) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0021186 k( 449) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0021186 k( 450) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0021186 k( 451) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0021186 k( 452) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0021186 k( 453) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0021186 k( 454) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0021186 k( 455) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0021186 k( 456) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0021186 k( 457) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0021186 k( 458) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0021186 k( 459) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0021186 k( 460) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0021186 k( 461) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0021186 k( 462) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0021186 k( 463) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0021186 k( 464) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0021186 k( 465) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0021186 k( 466) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0021186 k( 467) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0021186 k( 468) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0021186 k( 469) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0021186 k( 470) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0021186 k( 471) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0021186 k( 472) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021186 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 2) = ( 0.0070422 -0.0000000 0.0070423), wk = 0.0021186 k( 3) = ( 0.0140845 -0.0000000 0.0140845), wk = 0.0021186 k( 4) = ( 0.0211268 -0.0000000 0.0211268), wk = 0.0021186 k( 5) = ( 0.0281690 -0.0000000 0.0281690), wk = 0.0021186 k( 6) = ( 0.0352113 0.0000000 0.0352113), wk = 0.0021186 k( 7) = ( 0.0422535 -0.0000000 0.0422535), wk = 0.0021186 k( 8) = ( 0.0492958 -0.0000000 0.0492958), wk = 0.0021186 k( 9) = ( 0.0563380 -0.0000000 0.0563380), wk = 0.0021186 k( 10) = ( 0.0633803 0.0000000 0.0633803), wk = 0.0021186 k( 11) = ( 0.0704225 0.0000000 0.0704225), wk = 0.0021186 k( 12) = ( 0.0774648 -0.0000000 0.0774648), wk = 0.0021186 k( 13) = ( 0.0845070 -0.0000000 0.0845070), wk = 0.0021186 k( 14) = ( 0.0915493 0.0000000 0.0915493), wk = 0.0021186 k( 15) = ( 0.0985916 -0.0000000 0.0985916), wk = 0.0021186 k( 16) = ( 0.1056338 -0.0000000 0.1056338), wk = 0.0021186 k( 17) = ( 0.1126761 -0.0000000 0.1126761), wk = 0.0021186 k( 18) = ( 0.1197183 -0.0000000 0.1197183), wk = 0.0021186 k( 19) = ( 0.1267606 0.0000000 0.1267606), wk = 0.0021186 k( 20) = ( 0.1338028 0.0000000 0.1338028), wk = 0.0021186 k( 21) = ( 0.1408451 0.0000000 0.1408451), wk = 0.0021186 k( 22) = ( 0.1478873 -0.0000000 0.1478873), wk = 0.0021186 k( 23) = ( 0.1549296 -0.0000000 0.1549296), wk = 0.0021186 k( 24) = ( 0.1619718 -0.0000000 0.1619718), wk = 0.0021186 k( 25) = ( 0.1690141 -0.0000000 0.1690141), wk = 0.0021186 k( 26) = ( 0.1760563 0.0000000 0.1760563), wk = 0.0021186 k( 27) = ( 0.1830986 0.0000000 0.1830986), wk = 0.0021186 k( 28) = ( 0.1901409 -0.0000000 0.1901409), wk = 0.0021186 k( 29) = ( 0.1971831 -0.0000000 0.1971831), wk = 0.0021186 k( 30) = ( 0.2042253 -0.0000000 0.2042253), wk = 0.0021186 k( 31) = ( 0.2112676 -0.0000000 0.2112676), wk = 0.0021186 k( 32) = ( 0.2183099 -0.0000000 0.2183099), wk = 0.0021186 k( 33) = ( 0.2253521 -0.0000000 0.2253521), wk = 0.0021186 k( 34) = ( 0.2323944 -0.0000000 0.2323944), wk = 0.0021186 k( 35) = ( 0.2394366 -0.0000000 0.2394366), wk = 0.0021186 k( 36) = ( 0.2464789 -0.0000000 0.2464789), wk = 0.0021186 k( 37) = ( 0.2535211 0.0000000 0.2535211), wk = 0.0021186 k( 38) = ( 0.2605634 0.0000000 0.2605634), wk = 0.0021186 k( 39) = ( 0.2676056 -0.0000000 0.2676056), wk = 0.0021186 k( 40) = ( 0.2746479 0.0000000 0.2746479), wk = 0.0021186 k( 41) = ( 0.2816901 0.0000000 0.2816901), wk = 0.0021186 k( 42) = ( 0.2887324 0.0000000 0.2887324), wk = 0.0021186 k( 43) = ( 0.2957746 0.0000000 0.2957746), wk = 0.0021186 k( 44) = ( 0.3028169 -0.0000000 0.3028169), wk = 0.0021186 k( 45) = ( 0.3098592 0.0000000 0.3098592), wk = 0.0021186 k( 46) = ( 0.3169014 0.0000000 0.3169014), wk = 0.0021186 k( 47) = ( 0.3239437 -0.0000000 0.3239437), wk = 0.0021186 k( 48) = ( 0.3309859 -0.0000000 0.3309859), wk = 0.0021186 k( 49) = ( 0.3380282 -0.0000000 0.3380282), wk = 0.0021186 k( 50) = ( 0.3450704 -0.0000000 0.3450704), wk = 0.0021186 k( 51) = ( 0.3521127 0.0000000 0.3521127), wk = 0.0021186 k( 52) = ( 0.3591549 -0.0000000 0.3591549), wk = 0.0021186 k( 53) = ( 0.3661972 0.0000000 0.3661972), wk = 0.0021186 k( 54) = ( 0.3732394 0.0000000 0.3732394), wk = 0.0021186 k( 55) = ( 0.3802817 -0.0000000 0.3802817), wk = 0.0021186 k( 56) = ( 0.3873239 -0.0000000 0.3873239), wk = 0.0021186 k( 57) = ( 0.3943662 -0.0000000 0.3943662), wk = 0.0021186 k( 58) = ( 0.4014085 -0.0000000 0.4014085), wk = 0.0021186 k( 59) = ( 0.4084507 -0.0000000 0.4084507), wk = 0.0021186 k( 60) = ( 0.4154930 -0.0000000 0.4154930), wk = 0.0021186 k( 61) = ( 0.4225352 -0.0000000 0.4225352), wk = 0.0021186 k( 62) = ( 0.4295775 -0.0000000 0.4295775), wk = 0.0021186 k( 63) = ( 0.4366197 -0.0000000 0.4366197), wk = 0.0021186 k( 64) = ( 0.4436620 -0.0000000 0.4436620), wk = 0.0021186 k( 65) = ( 0.4507042 0.0000000 0.4507042), wk = 0.0021186 k( 66) = ( 0.4577465 -0.0000000 0.4577465), wk = 0.0021186 k( 67) = ( 0.4647887 -0.0000000 0.4647887), wk = 0.0021186 k( 68) = ( 0.4718310 -0.0000000 0.4718310), wk = 0.0021186 k( 69) = ( 0.4788732 -0.0000000 0.4788732), wk = 0.0021186 k( 70) = ( 0.4859155 -0.0000000 0.4859155), wk = 0.0021186 k( 71) = ( 0.4929577 -0.0000000 0.4929577), wk = 0.0021186 k( 72) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021186 k( 73) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021186 k( 74) = ( 0.5000000 0.0069444 0.5069444), wk = 0.0021186 k( 75) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0021186 k( 76) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0021186 k( 77) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0021186 k( 78) = ( 0.5000000 0.0347222 0.5347222), wk = 0.0021186 k( 79) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0021186 k( 80) = ( 0.5000000 0.0486111 0.5486111), wk = 0.0021186 k( 81) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0021186 k( 82) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0021186 k( 83) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0021186 k( 84) = ( 0.5000000 0.0763889 0.5763889), wk = 0.0021186 k( 85) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0021186 k( 86) = ( 0.5000000 0.0902778 0.5902778), wk = 0.0021186 k( 87) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0021186 k( 88) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0021186 k( 89) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0021186 k( 90) = ( 0.5000000 0.1180556 0.6180556), wk = 0.0021186 k( 91) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0021186 k( 92) = ( 0.5000000 0.1319444 0.6319444), wk = 0.0021186 k( 93) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0021186 k( 94) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0021186 k( 95) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0021186 k( 96) = ( 0.5000000 0.1597222 0.6597222), wk = 0.0021186 k( 97) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0021186 k( 98) = ( 0.5000000 0.1736111 0.6736111), wk = 0.0021186 k( 99) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0021186 k( 100) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0021186 k( 101) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0021186 k( 102) = ( 0.5000000 0.2013889 0.7013889), wk = 0.0021186 k( 103) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0021186 k( 104) = ( 0.5000000 0.2152778 0.7152778), wk = 0.0021186 k( 105) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0021186 k( 106) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0021186 k( 107) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0021186 k( 108) = ( 0.5000000 0.2430556 0.7430556), wk = 0.0021186 k( 109) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021186 k( 110) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021186 k( 111) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0021186 k( 112) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0021186 k( 113) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0021186 k( 114) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0021186 k( 115) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0021186 k( 116) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0021186 k( 117) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0021186 k( 118) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0021186 k( 119) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0021186 k( 120) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0021186 k( 121) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0021186 k( 122) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0021186 k( 123) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0021186 k( 124) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0021186 k( 125) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0021186 k( 126) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0021186 k( 127) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0021186 k( 128) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0021186 k( 129) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0021186 k( 130) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0021186 k( 131) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0021186 k( 132) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0021186 k( 133) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0021186 k( 134) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0021186 k( 135) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0021186 k( 136) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021186 k( 137) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021186 k( 138) = ( 0.3700658 0.3700658 0.7401316), wk = 0.0021186 k( 139) = ( 0.3651316 0.3651316 0.7302632), wk = 0.0021186 k( 140) = ( 0.3601974 0.3601974 0.7203947), wk = 0.0021186 k( 141) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0021186 k( 142) = ( 0.3503289 0.3503289 0.7006579), wk = 0.0021186 k( 143) = ( 0.3453947 0.3453947 0.6907895), wk = 0.0021186 k( 144) = ( 0.3404605 0.3404605 0.6809211), wk = 0.0021186 k( 145) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0021186 k( 146) = ( 0.3305921 0.3305921 0.6611842), wk = 0.0021186 k( 147) = ( 0.3256579 0.3256579 0.6513158), wk = 0.0021186 k( 148) = ( 0.3207237 0.3207237 0.6414474), wk = 0.0021186 k( 149) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0021186 k( 150) = ( 0.3108553 0.3108553 0.6217105), wk = 0.0021186 k( 151) = ( 0.3059211 0.3059211 0.6118421), wk = 0.0021186 k( 152) = ( 0.3009868 0.3009868 0.6019737), wk = 0.0021186 k( 153) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0021186 k( 154) = ( 0.2911184 0.2911184 0.5822368), wk = 0.0021186 k( 155) = ( 0.2861842 0.2861842 0.5723684), wk = 0.0021186 k( 156) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0021186 k( 157) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0021186 k( 158) = ( 0.2713816 0.2713816 0.5427632), wk = 0.0021186 k( 159) = ( 0.2664474 0.2664474 0.5328947), wk = 0.0021186 k( 160) = ( 0.2615132 0.2615132 0.5230263), wk = 0.0021186 k( 161) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0021186 k( 162) = ( 0.2516447 0.2516447 0.5032895), wk = 0.0021186 k( 163) = ( 0.2467105 0.2467105 0.4934211), wk = 0.0021186 k( 164) = ( 0.2417763 0.2417763 0.4835526), wk = 0.0021186 k( 165) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0021186 k( 166) = ( 0.2319079 0.2319079 0.4638158), wk = 0.0021186 k( 167) = ( 0.2269737 0.2269737 0.4539474), wk = 0.0021186 k( 168) = ( 0.2220395 0.2220395 0.4440790), wk = 0.0021186 k( 169) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0021186 k( 170) = ( 0.2121710 0.2121710 0.4243421), wk = 0.0021186 k( 171) = ( 0.2072368 0.2072368 0.4144737), wk = 0.0021186 k( 172) = ( 0.2023026 0.2023026 0.4046053), wk = 0.0021186 k( 173) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0021186 k( 174) = ( 0.1924342 0.1924342 0.3848684), wk = 0.0021186 k( 175) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0021186 k( 176) = ( 0.1825658 0.1825658 0.3651316), wk = 0.0021186 k( 177) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0021186 k( 178) = ( 0.1726974 0.1726974 0.3453947), wk = 0.0021186 k( 179) = ( 0.1677632 0.1677632 0.3355263), wk = 0.0021186 k( 180) = ( 0.1628290 0.1628290 0.3256579), wk = 0.0021186 k( 181) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0021186 k( 182) = ( 0.1529605 0.1529605 0.3059211), wk = 0.0021186 k( 183) = ( 0.1480263 0.1480263 0.2960526), wk = 0.0021186 k( 184) = ( 0.1430921 0.1430921 0.2861842), wk = 0.0021186 k( 185) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0021186 k( 186) = ( 0.1332237 0.1332237 0.2664474), wk = 0.0021186 k( 187) = ( 0.1282895 0.1282895 0.2565789), wk = 0.0021186 k( 188) = ( 0.1233553 0.1233553 0.2467105), wk = 0.0021186 k( 189) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0021186 k( 190) = ( 0.1134868 0.1134868 0.2269737), wk = 0.0021186 k( 191) = ( 0.1085526 0.1085526 0.2171053), wk = 0.0021186 k( 192) = ( 0.1036184 0.1036184 0.2072368), wk = 0.0021186 k( 193) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0021186 k( 194) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0021186 k( 195) = ( 0.0888158 0.0888158 0.1776316), wk = 0.0021186 k( 196) = ( 0.0838816 0.0838816 0.1677632), wk = 0.0021186 k( 197) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0021186 k( 198) = ( 0.0740132 0.0740132 0.1480263), wk = 0.0021186 k( 199) = ( 0.0690790 0.0690790 0.1381579), wk = 0.0021186 k( 200) = ( 0.0641447 0.0641447 0.1282895), wk = 0.0021186 k( 201) = ( 0.0592105 0.0592105 0.1184211), wk = 0.0021186 k( 202) = ( 0.0542763 0.0542763 0.1085526), wk = 0.0021186 k( 203) = ( 0.0493421 0.0493421 0.0986842), wk = 0.0021186 k( 204) = ( 0.0444079 0.0444079 0.0888158), wk = 0.0021186 k( 205) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0021186 k( 206) = ( 0.0345395 0.0345395 0.0690790), wk = 0.0021186 k( 207) = ( 0.0296053 0.0296053 0.0592105), wk = 0.0021186 k( 208) = ( 0.0246710 0.0246710 0.0493421), wk = 0.0021186 k( 209) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0021186 k( 210) = ( 0.0148026 0.0148026 0.0296053), wk = 0.0021186 k( 211) = ( 0.0098684 0.0098684 0.0197368), wk = 0.0021186 k( 212) = ( 0.0049342 0.0049342 0.0098684), wk = 0.0021186 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 215) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0021186 k( 216) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0021186 k( 217) = ( 0.0241936 0.0241936 0.0241936), wk = 0.0021186 k( 218) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0021186 k( 219) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0021186 k( 220) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0021186 k( 221) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0021186 k( 222) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0021186 k( 223) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0021186 k( 224) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0021186 k( 225) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0021186 k( 226) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0021186 k( 227) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0021186 k( 228) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0021186 k( 229) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0021186 k( 230) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0021186 k( 231) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0021186 k( 232) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0021186 k( 233) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0021186 k( 234) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0021186 k( 235) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0021186 k( 236) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0021186 k( 237) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0021186 k( 238) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0021186 k( 239) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0021186 k( 240) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0021186 k( 241) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0021186 k( 242) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0021186 k( 243) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0021186 k( 244) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0021186 k( 245) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021186 k( 246) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0021186 k( 247) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0021186 k( 248) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0021186 k( 249) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0021186 k( 250) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0021186 k( 251) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0021186 k( 252) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0021186 k( 253) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0021186 k( 254) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0021186 k( 255) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0021186 k( 256) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0021186 k( 257) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0021186 k( 258) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0021186 k( 259) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0021186 k( 260) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0021186 k( 261) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0021186 k( 262) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0021186 k( 263) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0021186 k( 264) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0021186 k( 265) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0021186 k( 266) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0021186 k( 267) = ( 0.4274193 0.4274193 0.4274193), wk = 0.0021186 k( 268) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0021186 k( 269) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0021186 k( 270) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0021186 k( 271) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0021186 k( 272) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0021186 k( 273) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0021186 k( 274) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0021186 k( 275) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0021186 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 278) = ( 0.5028409 0.4943182 0.5028409), wk = 0.0021186 k( 279) = ( 0.5056818 0.4886364 0.5056818), wk = 0.0021186 k( 280) = ( 0.5085227 0.4829545 0.5085227), wk = 0.0021186 k( 281) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0021186 k( 282) = ( 0.5142045 0.4715909 0.5142046), wk = 0.0021186 k( 283) = ( 0.5170455 0.4659091 0.5170455), wk = 0.0021186 k( 284) = ( 0.5198864 0.4602273 0.5198864), wk = 0.0021186 k( 285) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0021186 k( 286) = ( 0.5255682 0.4488636 0.5255682), wk = 0.0021186 k( 287) = ( 0.5284091 0.4431818 0.5284091), wk = 0.0021186 k( 288) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0021186 k( 289) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0021186 k( 290) = ( 0.5369318 0.4261364 0.5369318), wk = 0.0021186 k( 291) = ( 0.5397727 0.4204546 0.5397727), wk = 0.0021186 k( 292) = ( 0.5426136 0.4147727 0.5426136), wk = 0.0021186 k( 293) = ( 0.5454545 0.4090909 0.5454546), wk = 0.0021186 k( 294) = ( 0.5482955 0.4034091 0.5482955), wk = 0.0021186 k( 295) = ( 0.5511364 0.3977273 0.5511364), wk = 0.0021186 k( 296) = ( 0.5539773 0.3920455 0.5539773), wk = 0.0021186 k( 297) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0021186 k( 298) = ( 0.5596591 0.3806818 0.5596591), wk = 0.0021186 k( 299) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0021186 k( 300) = ( 0.5653409 0.3693182 0.5653409), wk = 0.0021186 k( 301) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0021186 k( 302) = ( 0.5710227 0.3579546 0.5710227), wk = 0.0021186 k( 303) = ( 0.5738636 0.3522727 0.5738636), wk = 0.0021186 k( 304) = ( 0.5767045 0.3465909 0.5767045), wk = 0.0021186 k( 305) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0021186 k( 306) = ( 0.5823864 0.3352273 0.5823864), wk = 0.0021186 k( 307) = ( 0.5852273 0.3295455 0.5852273), wk = 0.0021186 k( 308) = ( 0.5880682 0.3238636 0.5880682), wk = 0.0021186 k( 309) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0021186 k( 310) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0021186 k( 311) = ( 0.5965909 0.3068182 0.5965909), wk = 0.0021186 k( 312) = ( 0.5994318 0.3011364 0.5994318), wk = 0.0021186 k( 313) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0021186 k( 314) = ( 0.6051136 0.2897727 0.6051136), wk = 0.0021186 k( 315) = ( 0.6079545 0.2840909 0.6079545), wk = 0.0021186 k( 316) = ( 0.6107955 0.2784091 0.6107955), wk = 0.0021186 k( 317) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0021186 k( 318) = ( 0.6164773 0.2670455 0.6164773), wk = 0.0021186 k( 319) = ( 0.6193182 0.2613636 0.6193182), wk = 0.0021186 k( 320) = ( 0.6221591 0.2556818 0.6221591), wk = 0.0021186 k( 321) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021186 k( 322) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021186 k( 323) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0021186 k( 324) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0021186 k( 325) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0021186 k( 326) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0021186 k( 327) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0021186 k( 328) = ( 0.5961538 0.2500000 0.6538462), wk = 0.0021186 k( 329) = ( 0.5913462 0.2500000 0.6586538), wk = 0.0021186 k( 330) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0021186 k( 331) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0021186 k( 332) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0021186 k( 333) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0021186 k( 334) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0021186 k( 335) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0021186 k( 336) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0021186 k( 337) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0021186 k( 338) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0021186 k( 339) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0021186 k( 340) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0021186 k( 341) = ( 0.5336538 0.2500000 0.7163462), wk = 0.0021186 k( 342) = ( 0.5288462 0.2500000 0.7211538), wk = 0.0021186 k( 343) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0021186 k( 344) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0021186 k( 345) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0021186 k( 346) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0021186 k( 347) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0021186 k( 348) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021186 k( 349) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021186 k( 350) = ( 0.5000000 0.2549020 0.7450980), wk = 0.0021186 k( 351) = ( 0.5000000 0.2598039 0.7401961), wk = 0.0021186 k( 352) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0021186 k( 353) = ( 0.5000000 0.2696078 0.7303922), wk = 0.0021186 k( 354) = ( 0.5000000 0.2745098 0.7254902), wk = 0.0021186 k( 355) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0021186 k( 356) = ( 0.5000000 0.2843137 0.7156863), wk = 0.0021186 k( 357) = ( 0.5000000 0.2892157 0.7107843), wk = 0.0021186 k( 358) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0021186 k( 359) = ( 0.5000000 0.2990196 0.7009804), wk = 0.0021186 k( 360) = ( 0.5000000 0.3039216 0.6960784), wk = 0.0021186 k( 361) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0021186 k( 362) = ( 0.5000000 0.3137255 0.6862745), wk = 0.0021186 k( 363) = ( 0.5000000 0.3186275 0.6813726), wk = 0.0021186 k( 364) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0021186 k( 365) = ( 0.5000000 0.3284314 0.6715686), wk = 0.0021186 k( 366) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0021186 k( 367) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0021186 k( 368) = ( 0.5000000 0.3431373 0.6568628), wk = 0.0021186 k( 369) = ( 0.5000000 0.3480392 0.6519608), wk = 0.0021186 k( 370) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0021186 k( 371) = ( 0.5000000 0.3578431 0.6421569), wk = 0.0021186 k( 372) = ( 0.5000000 0.3627451 0.6372549), wk = 0.0021186 k( 373) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0021186 k( 374) = ( 0.5000000 0.3725490 0.6274510), wk = 0.0021186 k( 375) = ( 0.5000000 0.3774510 0.6225490), wk = 0.0021186 k( 376) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0021186 k( 377) = ( 0.5000000 0.3872549 0.6127451), wk = 0.0021186 k( 378) = ( 0.5000000 0.3921569 0.6078431), wk = 0.0021186 k( 379) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0021186 k( 380) = ( 0.5000000 0.4019608 0.5980392), wk = 0.0021186 k( 381) = ( 0.5000000 0.4068627 0.5931372), wk = 0.0021186 k( 382) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0021186 k( 383) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0021186 k( 384) = ( 0.5000000 0.4215686 0.5784314), wk = 0.0021186 k( 385) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0021186 k( 386) = ( 0.5000000 0.4313726 0.5686275), wk = 0.0021186 k( 387) = ( 0.5000000 0.4362745 0.5637255), wk = 0.0021186 k( 388) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0021186 k( 389) = ( 0.5000000 0.4460784 0.5539216), wk = 0.0021186 k( 390) = ( 0.5000000 0.4509804 0.5490196), wk = 0.0021186 k( 391) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0021186 k( 392) = ( 0.5000000 0.4607843 0.5392157), wk = 0.0021186 k( 393) = ( 0.5000000 0.4656863 0.5343137), wk = 0.0021186 k( 394) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0021186 k( 395) = ( 0.5000000 0.4754902 0.5245098), wk = 0.0021186 k( 396) = ( 0.5000000 0.4803922 0.5196078), wk = 0.0021186 k( 397) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0021186 k( 398) = ( 0.5000000 0.4901961 0.5098039), wk = 0.0021186 k( 399) = ( 0.5000000 0.4950980 0.5049020), wk = 0.0021186 k( 400) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 401) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 402) = ( 0.4971591 0.4971591 0.5056818), wk = 0.0021186 k( 403) = ( 0.4943182 0.4943182 0.5113636), wk = 0.0021186 k( 404) = ( 0.4914773 0.4914773 0.5170455), wk = 0.0021186 k( 405) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0021186 k( 406) = ( 0.4857955 0.4857955 0.5284091), wk = 0.0021186 k( 407) = ( 0.4829545 0.4829545 0.5340909), wk = 0.0021186 k( 408) = ( 0.4801136 0.4801136 0.5397727), wk = 0.0021186 k( 409) = ( 0.4772727 0.4772727 0.5454546), wk = 0.0021186 k( 410) = ( 0.4744318 0.4744318 0.5511364), wk = 0.0021186 k( 411) = ( 0.4715909 0.4715909 0.5568182), wk = 0.0021186 k( 412) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0021186 k( 413) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0021186 k( 414) = ( 0.4630682 0.4630682 0.5738636), wk = 0.0021186 k( 415) = ( 0.4602273 0.4602273 0.5795455), wk = 0.0021186 k( 416) = ( 0.4573864 0.4573864 0.5852273), wk = 0.0021186 k( 417) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0021186 k( 418) = ( 0.4517045 0.4517045 0.5965909), wk = 0.0021186 k( 419) = ( 0.4488636 0.4488636 0.6022727), wk = 0.0021186 k( 420) = ( 0.4460227 0.4460227 0.6079545), wk = 0.0021186 k( 421) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0021186 k( 422) = ( 0.4403409 0.4403409 0.6193182), wk = 0.0021186 k( 423) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0021186 k( 424) = ( 0.4346591 0.4346591 0.6306818), wk = 0.0021186 k( 425) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0021186 k( 426) = ( 0.4289773 0.4289773 0.6420455), wk = 0.0021186 k( 427) = ( 0.4261364 0.4261364 0.6477273), wk = 0.0021186 k( 428) = ( 0.4232955 0.4232955 0.6534091), wk = 0.0021186 k( 429) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0021186 k( 430) = ( 0.4176136 0.4176136 0.6647727), wk = 0.0021186 k( 431) = ( 0.4147727 0.4147727 0.6704545), wk = 0.0021186 k( 432) = ( 0.4119318 0.4119318 0.6761364), wk = 0.0021186 k( 433) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0021186 k( 434) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0021186 k( 435) = ( 0.4034091 0.4034091 0.6931818), wk = 0.0021186 k( 436) = ( 0.4005682 0.4005682 0.6988636), wk = 0.0021186 k( 437) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0021186 k( 438) = ( 0.3948864 0.3948864 0.7102273), wk = 0.0021186 k( 439) = ( 0.3920455 0.3920455 0.7159091), wk = 0.0021186 k( 440) = ( 0.3892045 0.3892045 0.7215909), wk = 0.0021186 k( 441) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0021186 k( 442) = ( 0.3835227 0.3835227 0.7329545), wk = 0.0021186 k( 443) = ( 0.3806818 0.3806818 0.7386364), wk = 0.0021186 k( 444) = ( 0.3778409 0.3778409 0.7443182), wk = 0.0021186 k( 445) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021186 k( 446) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021186 k( 447) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0021186 k( 448) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0021186 k( 449) = ( 0.6105769 0.2211538 0.6105769), wk = 0.0021186 k( 450) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0021186 k( 451) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0021186 k( 452) = ( 0.5961538 0.1923077 0.5961539), wk = 0.0021186 k( 453) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0021186 k( 454) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0021186 k( 455) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0021186 k( 456) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0021186 k( 457) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0021186 k( 458) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0021186 k( 459) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0021186 k( 460) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0021186 k( 461) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0021186 k( 462) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0021186 k( 463) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0021186 k( 464) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0021186 k( 465) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0021186 k( 466) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0021186 k( 467) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0021186 k( 468) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0021186 k( 469) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0021186 k( 470) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0021186 k( 471) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0021186 k( 472) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021186 Dense grid: 20107 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 7343 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 58, 24) NL pseudopotentials 0.02 Mb ( 29, 48) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 557) G-vector shells 0.00 Mb ( 194) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 58, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 48, 2, 24) Check: negative/imaginary core charge= -0.000013 0.000000 The potential is recalculated from file : ./ScN.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.0 secs Computing kpt #: 14 total cpu time spent up to now is 3.1 secs Computing kpt #: 15 total cpu time spent up to now is 3.2 secs Computing kpt #: 16 total cpu time spent up to now is 3.3 secs Computing kpt #: 17 total cpu time spent up to now is 3.4 secs Computing kpt #: 18 total cpu time spent up to now is 3.5 secs Computing kpt #: 19 total cpu time spent up to now is 3.5 secs Computing kpt #: 20 total cpu time spent up to now is 3.6 secs Computing kpt #: 21 total cpu time spent up to now is 3.7 secs Computing kpt #: 22 total cpu time spent up to now is 3.8 secs Computing kpt #: 23 total cpu time spent up to now is 3.9 secs Computing kpt #: 24 total cpu time spent up to now is 4.0 secs Computing kpt #: 25 total cpu time spent up to now is 4.0 secs Computing kpt #: 26 total cpu time spent up to now is 4.1 secs Computing kpt #: 27 total cpu time spent up to now is 4.2 secs Computing kpt #: 28 total cpu time spent up to now is 4.3 secs Computing kpt #: 29 total cpu time spent up to now is 4.4 secs Computing kpt #: 30 total cpu time spent up to now is 4.4 secs Computing kpt #: 31 total cpu time spent up to now is 4.5 secs Computing kpt #: 32 total cpu time spent up to now is 4.6 secs Computing kpt #: 33 total cpu time spent up to now is 4.7 secs Computing kpt #: 34 total cpu time spent up to now is 4.8 secs Computing kpt #: 35 total cpu time spent up to now is 4.8 secs Computing kpt #: 36 total cpu time spent up to now is 4.9 secs Computing kpt #: 37 total cpu time spent up to now is 5.0 secs Computing kpt #: 38 total cpu time spent up to now is 5.1 secs Computing kpt #: 39 total cpu time spent up to now is 5.2 secs Computing kpt #: 40 total cpu time spent up to now is 5.3 secs Computing kpt #: 41 total cpu time spent up to now is 5.4 secs Computing kpt #: 42 total cpu time spent up to now is 5.5 secs Computing kpt #: 43 total cpu time spent up to now is 5.6 secs Computing kpt #: 44 total cpu time spent up to now is 5.7 secs Computing kpt #: 45 total cpu time spent up to now is 5.7 secs Computing kpt #: 46 total cpu time spent up to now is 5.8 secs Computing kpt #: 47 total cpu time spent up to now is 5.9 secs Computing kpt #: 48 total cpu time spent up to now is 6.0 secs Computing kpt #: 49 total cpu time spent up to now is 6.1 secs Computing kpt #: 50 total cpu time spent up to now is 6.2 secs Computing kpt #: 51 total cpu time spent up to now is 6.3 secs Computing kpt #: 52 total cpu time spent up to now is 6.3 secs Computing kpt #: 53 total cpu time spent up to now is 6.4 secs Computing kpt #: 54 total cpu time spent up to now is 6.5 secs Computing kpt #: 55 total cpu time spent up to now is 6.6 secs Computing kpt #: 56 total cpu time spent up to now is 6.7 secs Computing kpt #: 57 total cpu time spent up to now is 6.8 secs Computing kpt #: 58 total cpu time spent up to now is 6.9 secs Computing kpt #: 59 total cpu time spent up to now is 6.9 secs Computing kpt #: 60 total cpu time spent up to now is 7.0 secs Computing kpt #: 61 total cpu time spent up to now is 7.1 secs Computing kpt #: 62 total cpu time spent up to now is 7.2 secs Computing kpt #: 63 total cpu time spent up to now is 7.3 secs Computing kpt #: 64 total cpu time spent up to now is 7.4 secs Computing kpt #: 65 total cpu time spent up to now is 7.5 secs Computing kpt #: 66 total cpu time spent up to now is 7.6 secs Computing kpt #: 67 total cpu time spent up to now is 7.6 secs Computing kpt #: 68 total cpu time spent up to now is 7.7 secs Computing kpt #: 69 total cpu time spent up to now is 7.8 secs Computing kpt #: 70 total cpu time spent up to now is 7.9 secs Computing kpt #: 71 total cpu time spent up to now is 8.0 secs Computing kpt #: 72 total cpu time spent up to now is 8.1 secs Computing kpt #: 73 total cpu time spent up to now is 8.2 secs Computing kpt #: 74 total cpu time spent up to now is 8.3 secs Computing kpt #: 75 total cpu time spent up to now is 8.3 secs Computing kpt #: 76 total cpu time spent up to now is 8.4 secs Computing kpt #: 77 total cpu time spent up to now is 8.5 secs Computing kpt #: 78 total cpu time spent up to now is 8.6 secs Computing kpt #: 79 total cpu time spent up to now is 8.7 secs Computing kpt #: 80 total cpu time spent up to now is 8.8 secs Computing kpt #: 81 total cpu time spent up to now is 8.9 secs Computing kpt #: 82 total cpu time spent up to now is 9.0 secs Computing kpt #: 83 total cpu time spent up to now is 9.1 secs Computing kpt #: 84 total cpu time spent up to now is 9.2 secs Computing kpt #: 85 total cpu time spent up to now is 9.3 secs Computing kpt #: 86 total cpu time spent up to now is 9.4 secs Computing kpt #: 87 total cpu time spent up to now is 9.4 secs Computing kpt #: 88 total cpu time spent up to now is 9.5 secs Computing kpt #: 89 total cpu time spent up to now is 9.6 secs Computing kpt #: 90 total cpu time spent up to now is 9.7 secs Computing kpt #: 91 total cpu time spent up to now is 9.8 secs Computing kpt #: 92 total cpu time spent up to now is 9.9 secs Computing kpt #: 93 total cpu time spent up to now is 10.0 secs Computing kpt #: 94 total cpu time spent up to now is 10.1 secs Computing kpt #: 95 total cpu time spent up to now is 10.2 secs Computing kpt #: 96 total cpu time spent up 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Computing kpt #: 112 total cpu time spent up to now is 11.8 secs Computing kpt #: 113 total cpu time spent up to now is 11.9 secs Computing kpt #: 114 total cpu time spent up to now is 12.0 secs Computing kpt #: 115 total cpu time spent up to now is 12.1 secs Computing kpt #: 116 total cpu time spent up to now is 12.2 secs Computing kpt #: 117 total cpu time spent up to now is 12.3 secs Computing kpt #: 118 total cpu time spent up to now is 12.4 secs Computing kpt #: 119 total cpu time spent up to now is 12.5 secs Computing kpt #: 120 total cpu time spent up to now is 12.6 secs Computing kpt #: 121 total cpu time spent up to now is 12.7 secs Computing kpt #: 122 total cpu time spent up to now is 12.8 secs Computing kpt #: 123 total cpu time spent up to now is 12.9 secs Computing kpt #: 124 total cpu time spent up to now is 13.0 secs Computing kpt #: 125 total cpu time spent up to now is 13.1 secs Computing kpt #: 126 total cpu time spent up to now is 13.2 secs Computing kpt #: 127 total cpu time spent up to now is 13.3 secs Computing kpt #: 128 total cpu time spent up to now is 13.4 secs Computing kpt #: 129 total cpu time spent up to now is 13.5 secs Computing kpt #: 130 total cpu time spent up to now is 13.6 secs Computing kpt #: 131 total cpu time spent up to now is 13.7 secs Computing kpt #: 132 total cpu time spent up to now is 13.8 secs Computing kpt #: 133 total cpu time spent up to now is 13.9 secs Computing kpt #: 134 total cpu time spent up to now is 14.0 secs Computing kpt #: 135 total cpu time spent up to now is 14.1 secs Computing kpt #: 136 total cpu time spent up to now is 14.2 secs Computing kpt #: 137 total cpu time spent up to now is 14.3 secs Computing kpt #: 138 total cpu time spent up to now is 14.4 secs Computing kpt #: 139 total cpu time spent up to now is 14.4 secs Computing kpt #: 140 total cpu time spent up to now is 14.5 secs Computing kpt #: 141 total cpu time spent up to now is 14.6 secs Computing kpt #: 142 total cpu time spent up to now is 14.7 secs Computing kpt #: 143 total cpu time spent up to now is 14.8 secs Computing kpt #: 144 total cpu time spent up to now is 14.9 secs Computing kpt #: 145 total cpu time spent up to now is 15.0 secs Computing kpt #: 146 total cpu time spent up to now is 15.1 secs Computing kpt #: 147 total cpu time spent up to now is 15.1 secs Computing kpt #: 148 total cpu time spent up to now is 15.2 secs Computing kpt #: 149 total cpu time spent up to now is 16.0 secs Computing kpt #: 150 total cpu time spent up to now is 16.0 secs Computing kpt #: 151 total cpu time spent up to now is 16.1 secs Computing kpt #: 152 total cpu time spent up to now is 16.2 secs Computing kpt #: 153 total cpu time spent up to now is 16.3 secs Computing kpt #: 154 total cpu time spent up to now is 16.3 secs Computing kpt #: 155 total cpu time spent up to now is 16.4 secs Computing kpt #: 156 total cpu time spent up to now is 16.5 secs Computing kpt #: 157 total cpu time spent up to now is 16.6 secs Computing kpt #: 158 total cpu time spent up to now is 16.6 secs Computing kpt #: 159 total cpu time spent up to now is 16.7 secs Computing kpt #: 160 total cpu time spent up to now is 16.8 secs Computing kpt #: 161 total cpu time spent up to now is 16.8 secs Computing kpt #: 162 total cpu time spent up to now is 16.9 secs Computing kpt #: 163 total cpu time spent up to now is 17.0 secs Computing kpt #: 164 total cpu time spent up to now is 17.0 secs Computing kpt #: 165 total cpu time spent up to now is 17.1 secs Computing kpt #: 166 total cpu time spent up to now is 17.2 secs Computing kpt #: 167 total cpu time spent up to now is 17.2 secs Computing kpt #: 168 total cpu time spent up to now is 17.3 secs Computing kpt #: 169 total cpu time spent up to now is 17.4 secs Computing kpt #: 170 total cpu time spent up to now is 17.4 secs Computing kpt #: 171 total cpu time spent up to now is 17.5 secs Computing kpt #: 172 total cpu time spent up to now is 17.6 secs Computing kpt #: 173 total cpu time spent up to now is 17.6 secs Computing kpt #: 174 total cpu time spent up to now is 17.7 secs Computing kpt #: 175 total cpu time spent up to now is 17.8 secs Computing kpt #: 176 total cpu time spent up to now is 17.9 secs Computing kpt #: 177 total cpu time spent up to now is 18.0 secs Computing kpt #: 178 total cpu time spent up to now is 18.0 secs Computing kpt #: 179 total cpu time spent up to now is 18.1 secs Computing kpt #: 180 total cpu time spent up to now is 18.2 secs Computing kpt #: 181 total cpu time spent up to now is 18.3 secs Computing kpt #: 182 total cpu time spent up to now is 18.4 secs Computing kpt #: 183 total cpu time spent up to now is 18.4 secs Computing kpt #: 184 total cpu time spent up to now is 18.5 secs Computing kpt #: 185 total cpu time spent up to now is 18.6 secs Computing kpt #: 186 total cpu time spent up to now is 18.7 secs Computing kpt #: 187 total cpu time spent up to now is 18.8 secs Computing kpt #: 188 total cpu time spent up to now is 18.8 secs Computing kpt #: 189 total cpu time spent up to now is 18.9 secs Computing kpt #: 190 total cpu time spent up to now is 19.0 secs Computing kpt #: 191 total cpu time spent up to now is 19.1 secs Computing kpt #: 192 total cpu time spent up to now is 19.2 secs Computing kpt #: 193 total cpu time spent up to now is 19.2 secs Computing kpt #: 194 total cpu time spent up to now is 19.3 secs Computing kpt #: 195 total cpu time spent up to now is 19.4 secs Computing kpt #: 196 total cpu time spent up to now is 19.5 secs Computing kpt #: 197 total cpu time spent up to now is 19.6 secs Computing kpt #: 198 total cpu time spent up to now is 19.7 secs Computing kpt #: 199 total cpu time spent up to now is 19.7 secs Computing kpt #: 200 total cpu time spent up to now is 19.8 secs Computing kpt #: 201 total cpu time spent up to now is 19.9 secs Computing kpt #: 202 total cpu time spent up to now is 20.0 secs Computing kpt #: 203 total cpu time spent up to now is 20.1 secs Computing kpt #: 204 total cpu time spent up to now is 20.2 secs Computing kpt #: 205 total cpu time spent up to now is 20.3 secs Computing kpt #: 206 total cpu time spent up to now is 20.4 secs Computing kpt #: 207 total cpu time spent up to now is 20.5 secs Computing kpt #: 208 total cpu time spent up to now is 20.6 secs Computing kpt #: 209 total cpu time spent up to now is 20.7 secs Computing kpt #: 210 total cpu time spent up to now is 20.8 secs Computing kpt #: 211 total cpu time spent up to now is 20.9 secs Computing kpt #: 212 total cpu time spent up to now is 21.0 secs Computing kpt #: 213 total cpu time spent up to now is 21.0 secs Computing kpt #: 214 total cpu time spent up to now is 21.1 secs Computing kpt #: 215 total cpu time spent up to now is 21.2 secs Computing kpt #: 216 total cpu time spent up to now is 21.2 secs Computing kpt #: 217 total cpu time spent up to now is 21.3 secs Computing kpt #: 218 total cpu time spent up to now is 21.4 secs Computing kpt #: 219 total cpu time spent up to now is 21.5 secs Computing kpt #: 220 total cpu time spent up to now is 21.6 secs Computing kpt #: 221 total cpu time spent up to now is 21.7 secs Computing kpt #: 222 total cpu time spent up to now is 21.8 secs Computing kpt #: 223 total cpu time spent up to now is 21.9 secs Computing kpt #: 224 total cpu time spent up to now is 22.0 secs Computing kpt #: 225 total cpu time spent up to now is 22.1 secs Computing kpt #: 226 total cpu time spent up to now is 22.2 secs Computing kpt #: 227 total cpu time spent up to now is 22.3 secs Computing kpt #: 228 total cpu time spent up to now is 22.4 secs Computing kpt #: 229 total cpu time spent up to now is 22.5 secs Computing kpt #: 230 total cpu time spent up to now is 22.6 secs Computing kpt #: 231 total cpu time spent up to now is 22.7 secs Computing kpt #: 232 total cpu time spent up to now is 22.8 secs Computing kpt #: 233 total cpu time spent up to now is 22.9 secs Computing kpt #: 234 total cpu time spent up to now is 23.0 secs Computing kpt #: 235 total cpu time spent up to now is 23.1 secs Computing kpt #: 236 total cpu time spent up to now is 23.2 secs Computing kpt #: 237 total cpu time spent up to now is 23.3 secs Computing kpt #: 238 total cpu time spent up to now is 23.4 secs Computing kpt #: 239 total cpu time spent up to now is 23.5 secs Computing kpt #: 240 total cpu time spent up to now is 23.6 secs Computing kpt #: 241 total cpu time spent up to now is 23.7 secs Computing kpt #: 242 total cpu time spent up to now is 23.8 secs Computing kpt #: 243 total cpu time spent up to now is 23.9 secs Computing kpt #: 244 total cpu time spent up to now is 24.0 secs Computing kpt #: 245 total cpu time spent up to now is 24.1 secs Computing kpt #: 246 total cpu time spent up to now is 24.2 secs Computing kpt #: 247 total cpu time spent up to now is 24.3 secs Computing kpt #: 248 total cpu time spent up to now is 24.4 secs Computing kpt #: 249 total cpu time spent up to now is 24.5 secs Computing kpt #: 250 total cpu time spent up to now is 24.6 secs Computing kpt #: 251 total cpu time spent up to now is 24.7 secs Computing kpt #: 252 total cpu time spent up to now is 24.8 secs Computing kpt #: 253 total cpu time spent up to now is 24.9 secs Computing kpt #: 254 total cpu time spent up to now is 25.1 secs Computing kpt #: 255 total cpu time spent up to now is 25.2 secs Computing kpt #: 256 total cpu time spent up to now is 25.3 secs Computing kpt #: 257 total cpu time spent up to now is 25.4 secs Computing kpt #: 258 total cpu time spent up to now is 25.5 secs Computing kpt #: 259 total cpu time spent up to now is 25.6 secs Computing kpt #: 260 total cpu time spent up to now is 25.7 secs Computing kpt #: 261 total cpu time spent up to now is 25.8 secs Computing kpt #: 262 total cpu time spent up to now is 25.9 secs Computing kpt #: 263 total cpu time spent up to now is 26.0 secs Computing kpt #: 264 total cpu time spent up to now is 26.1 secs Computing kpt #: 265 total cpu time spent up to now is 26.2 secs Computing kpt #: 266 total cpu time spent up to now is 26.3 secs Computing kpt #: 267 total cpu time spent up to now is 26.4 secs Computing kpt #: 268 total cpu time spent up to now is 26.5 secs Computing kpt #: 269 total cpu time spent up to now is 26.7 secs Computing kpt #: 270 total cpu time spent up to now is 26.8 secs Computing kpt #: 271 total cpu time spent up to now is 26.8 secs Computing kpt #: 272 total cpu time spent up to now is 26.9 secs Computing kpt #: 273 total cpu time spent up to now is 27.0 secs Computing kpt #: 274 total cpu time spent up to now is 27.1 secs Computing kpt #: 275 total cpu time spent up to now is 27.2 secs Computing kpt #: 276 total cpu time spent up to now is 27.4 secs Computing kpt #: 277 total cpu time spent up to now is 27.5 secs Computing kpt #: 278 total cpu time spent up to now is 27.6 secs Computing kpt #: 279 total cpu time spent up to now is 27.7 secs Computing kpt #: 280 total cpu time spent up to now is 27.8 secs Computing kpt #: 281 total cpu time spent up to now is 27.9 secs Computing kpt #: 282 total cpu time spent up to now is 28.0 secs Computing kpt #: 283 total cpu time spent up to now is 28.1 secs Computing kpt #: 284 total cpu time spent up to now is 28.2 secs Computing kpt #: 285 total cpu time spent up to now is 28.3 secs Computing kpt #: 286 total cpu time spent up to now is 28.4 secs Computing kpt #: 287 total cpu time spent up to now is 28.5 secs Computing kpt #: 288 total cpu time spent up to now is 28.6 secs Computing kpt #: 289 total cpu time spent up to now is 28.7 secs Computing kpt #: 290 total cpu time spent up to now is 28.7 secs Computing kpt #: 291 total cpu time spent up to now is 28.8 secs Computing kpt #: 292 total cpu time spent up to now is 28.9 secs Computing kpt #: 293 total cpu time spent up to now is 29.0 secs Computing kpt #: 294 total cpu time spent up to now is 29.1 secs Computing kpt #: 295 total cpu time spent up to now is 29.2 secs Computing kpt #: 296 total cpu time spent up to now is 29.3 secs Computing kpt #: 297 total cpu time spent up to now is 29.4 secs Computing kpt #: 298 total cpu time spent up to now is 29.5 secs Computing kpt #: 299 total cpu time spent up to now is 29.6 secs Computing kpt #: 300 total cpu time spent up to now is 29.6 secs Computing kpt #: 301 total cpu time spent up to now is 29.7 secs Computing kpt #: 302 total cpu time spent up to now is 29.8 secs Computing kpt #: 303 total cpu time spent up to now is 29.9 secs Computing kpt #: 304 total cpu time spent up to now is 30.0 secs Computing kpt #: 305 total cpu time spent up to now is 30.1 secs Computing kpt #: 306 total cpu time spent up to now is 30.2 secs Computing kpt #: 307 total cpu time spent up to now is 30.3 secs Computing kpt #: 308 total cpu time spent up to now is 30.4 secs Computing kpt #: 309 total cpu time spent up to now is 30.5 secs Computing kpt #: 310 total cpu time spent up to now is 30.6 secs Computing kpt #: 311 total cpu time spent up to now is 30.7 secs Computing kpt #: 312 total cpu time spent up to now is 30.8 secs Computing kpt #: 313 total cpu time spent up to now is 30.9 secs Computing kpt #: 314 total cpu time spent up to now is 31.0 secs Computing kpt #: 315 total cpu time spent up to now is 31.1 secs Computing kpt #: 316 total cpu time spent up to now is 31.1 secs Computing kpt #: 317 total cpu time spent up to now is 31.2 secs Computing kpt #: 318 total cpu time spent up to now is 31.3 secs Computing kpt #: 319 total cpu time spent up to now is 31.4 secs Computing kpt #: 320 total cpu time spent up to now is 31.5 secs Computing kpt #: 321 total cpu time spent up to now is 31.6 secs Computing kpt #: 322 total cpu time spent up to now is 31.7 secs Computing kpt #: 323 total cpu time spent up to now is 31.8 secs Computing kpt #: 324 total cpu time spent up to now is 31.9 secs Computing kpt #: 325 total cpu time spent up to now is 32.0 secs Computing kpt #: 326 total cpu time spent up to now is 32.1 secs Computing kpt #: 327 total cpu time spent up to now is 32.2 secs Computing kpt #: 328 total cpu time spent up to now is 32.3 secs Computing kpt #: 329 total cpu time spent up to now is 32.4 secs Computing kpt #: 330 total cpu time spent up to now is 32.5 secs Computing kpt #: 331 total cpu time spent up to now is 32.6 secs Computing kpt #: 332 total cpu time spent up to now is 32.7 secs Computing kpt #: 333 total cpu time spent up to now is 32.8 secs Computing kpt #: 334 total cpu time spent up to now is 32.9 secs Computing kpt #: 335 total cpu time spent up to now is 33.0 secs Computing kpt #: 336 total cpu time spent up to now is 33.1 secs Computing kpt #: 337 total cpu time spent up to now is 33.2 secs Computing kpt #: 338 total cpu time spent up to now is 33.3 secs Computing kpt #: 339 total cpu time spent up to now is 33.4 secs Computing kpt #: 340 total cpu time spent up to now is 33.5 secs Computing kpt #: 341 total cpu time spent up to now is 33.6 secs Computing kpt #: 342 total cpu time spent up to now is 33.6 secs Computing kpt #: 343 total cpu time spent up to now is 33.7 secs Computing kpt #: 344 total cpu time spent up to now is 33.8 secs Computing kpt #: 345 total cpu time spent up to now is 33.9 secs Computing kpt #: 346 total cpu time spent up to now is 34.0 secs Computing kpt #: 347 total cpu time spent up to now is 34.1 secs Computing kpt #: 348 total cpu time spent up to now is 34.2 secs Computing kpt #: 349 total cpu time spent up to now is 34.3 secs Computing kpt #: 350 total cpu time spent up to now is 34.4 secs Computing kpt #: 351 total cpu time spent up to now is 34.5 secs Computing kpt #: 352 total cpu time spent up to now is 34.6 secs Computing kpt #: 353 total cpu time spent up to now is 34.7 secs Computing kpt #: 354 total cpu time spent up to now is 34.8 secs Computing kpt #: 355 total cpu time spent up to now is 34.8 secs Computing kpt #: 356 total cpu time spent up to now is 34.9 secs Computing kpt #: 357 total cpu time spent up to now is 35.0 secs Computing kpt #: 358 total cpu time spent up to now is 35.1 secs Computing kpt #: 359 total cpu time spent up to now is 35.2 secs Computing kpt #: 360 total cpu time spent up to now is 35.3 secs Computing kpt #: 361 total cpu time spent up to now is 35.4 secs Computing kpt #: 362 total cpu time spent up to now is 35.5 secs Computing kpt #: 363 total cpu time spent up to now is 35.6 secs Computing kpt #: 364 total cpu time spent up to now is 35.7 secs Computing kpt #: 365 total cpu time spent up to now is 35.8 secs Computing kpt #: 366 total cpu time spent up to now is 35.8 secs Computing kpt #: 367 total cpu time spent up to now is 35.9 secs Computing kpt #: 368 total cpu time spent up to now is 36.0 secs Computing kpt #: 369 total cpu time spent up to now is 36.1 secs Computing kpt #: 370 total cpu time spent up to now is 36.2 secs Computing kpt #: 371 total cpu time spent up to now is 36.3 secs Computing kpt #: 372 total cpu time spent up to now is 36.4 secs Computing kpt #: 373 total cpu time spent up to now is 36.5 secs Computing kpt #: 374 total cpu time spent up to now is 36.6 secs Computing kpt #: 375 total cpu time spent up to now is 36.6 secs Computing kpt #: 376 total cpu time spent up to now is 36.7 secs Computing kpt #: 377 total cpu time spent up to now is 36.8 secs Computing kpt #: 378 total cpu time spent up to now is 36.9 secs Computing kpt #: 379 total cpu time spent up to now is 37.0 secs Computing kpt #: 380 total cpu time spent up to now is 37.1 secs Computing kpt #: 381 total cpu time spent up to now is 37.2 secs Computing kpt #: 382 total cpu time spent up to now is 37.3 secs Computing kpt #: 383 total cpu time spent up to now is 37.4 secs Computing kpt #: 384 total cpu time spent up to now is 37.4 secs Computing kpt #: 385 total cpu time spent up to now is 37.5 secs Computing kpt #: 386 total cpu time spent up to now is 37.6 secs Computing kpt #: 387 total cpu time spent up to now is 37.7 secs Computing kpt #: 388 total cpu time spent up to now is 37.8 secs Computing kpt #: 389 total cpu time spent up to now is 37.9 secs Computing kpt #: 390 total cpu time spent up to now is 38.0 secs Computing kpt #: 391 total cpu time spent up to now is 38.1 secs Computing kpt #: 392 total cpu time spent up to now is 38.2 secs Computing kpt #: 393 total cpu time spent up to now is 38.3 secs Computing kpt #: 394 total cpu time spent up to now is 38.4 secs Computing kpt #: 395 total cpu time spent up to now is 38.5 secs Computing kpt #: 396 total cpu time spent up to now is 38.6 secs Computing kpt #: 397 total cpu time spent up to now is 38.7 secs Computing kpt #: 398 total cpu time spent up to now is 38.8 secs Computing kpt #: 399 total cpu time spent up to now is 38.9 secs Computing kpt #: 400 total cpu time spent up to now is 39.0 secs Computing kpt #: 401 total cpu time spent up to now is 39.1 secs Computing kpt #: 402 total cpu time spent up to now is 39.2 secs Computing kpt #: 403 total cpu time spent up to now is 39.3 secs Computing kpt #: 404 total cpu time spent up to now is 39.4 secs Computing kpt #: 405 total cpu time spent up to now is 39.5 secs Computing kpt #: 406 total cpu time spent up to now is 39.6 secs Computing kpt #: 407 total cpu time spent up to now is 39.7 secs Computing kpt #: 408 total cpu time spent up to now is 39.8 secs Computing kpt #: 409 total cpu time spent up to now is 39.9 secs Computing kpt #: 410 total cpu time spent up to now is 40.0 secs Computing kpt #: 411 total cpu time spent up to now is 40.1 secs Computing kpt #: 412 total cpu time spent up to now is 40.2 secs Computing kpt #: 413 total cpu time spent up to now is 40.3 secs Computing kpt #: 414 total cpu time spent up to now is 40.4 secs Computing kpt #: 415 total cpu time spent up to now is 40.5 secs Computing kpt #: 416 total cpu time spent up to now is 40.6 secs Computing kpt #: 417 total cpu time spent up to now is 40.7 secs Computing kpt #: 418 total cpu time spent up to now is 40.8 secs Computing kpt #: 419 total cpu time spent up to now is 40.8 secs Computing kpt #: 420 total cpu time spent up to now is 40.9 secs Computing kpt #: 421 total cpu time spent up to now is 41.0 secs Computing kpt #: 422 total cpu time spent up to now is 41.1 secs Computing kpt #: 423 total cpu time spent up to now is 41.2 secs Computing kpt #: 424 total cpu time spent up to now is 41.3 secs Computing kpt #: 425 total cpu time spent up to now is 41.4 secs Computing kpt #: 426 total cpu time spent up to now is 41.4 secs Computing kpt #: 427 total cpu time spent up to now is 41.5 secs Computing kpt #: 428 total cpu time spent up to now is 41.6 secs Computing kpt #: 429 total cpu time spent up to now is 41.7 secs Computing kpt #: 430 total cpu time spent up to now is 41.8 secs Computing kpt #: 431 total cpu time spent up to now is 41.9 secs Computing kpt #: 432 total cpu time spent up to now is 42.0 secs Computing kpt #: 433 total cpu time spent up to now is 42.1 secs Computing kpt #: 434 total cpu time spent up to now is 42.2 secs Computing kpt #: 435 total cpu time spent up to now is 42.2 secs Computing kpt #: 436 total cpu time spent up to now is 42.3 secs Computing kpt #: 437 total cpu time spent up to now is 42.4 secs Computing kpt #: 438 total cpu time spent up to now is 42.5 secs Computing kpt #: 439 total cpu time spent up to now is 42.6 secs Computing kpt #: 440 total cpu time spent up to now is 42.7 secs Computing kpt #: 441 total cpu time spent up to now is 42.8 secs Computing kpt #: 442 total cpu time spent up to now is 42.9 secs Computing kpt #: 443 total cpu time spent up to now is 43.0 secs Computing kpt #: 444 total cpu time spent up to now is 43.1 secs Computing kpt #: 445 total cpu time spent up to now is 43.2 secs Computing kpt #: 446 total cpu time spent up to now is 43.3 secs Computing kpt #: 447 total cpu time spent up to now is 43.4 secs Computing kpt #: 448 total cpu time spent up to now is 43.5 secs Computing kpt #: 449 total cpu time spent up to now is 43.6 secs Computing kpt #: 450 total cpu time spent up to now is 43.7 secs Computing kpt #: 451 total cpu time spent up to now is 43.8 secs Computing kpt #: 452 total cpu time spent up to now is 43.9 secs Computing kpt #: 453 total cpu time spent up to now is 44.0 secs Computing kpt #: 454 total cpu time spent up to now is 44.0 secs Computing kpt #: 455 total cpu time spent up to now is 44.1 secs Computing kpt #: 456 total cpu time spent up to now is 44.2 secs Computing kpt #: 457 total cpu time spent up to now is 44.3 secs Computing kpt #: 458 total cpu time spent up to now is 44.4 secs Computing kpt #: 459 total cpu time spent up to now is 44.5 secs Computing kpt #: 460 total cpu time spent up to now is 44.6 secs Computing kpt #: 461 total cpu time spent up to now is 44.7 secs Computing kpt #: 462 total cpu time spent up to now is 44.8 secs Computing kpt #: 463 total cpu time spent up to now is 44.8 secs Computing kpt #: 464 total cpu time spent up to now is 44.9 secs Computing kpt #: 465 total cpu time spent up to now is 45.0 secs Computing kpt #: 466 total cpu time spent up to now is 45.1 secs Computing kpt #: 467 total cpu time spent up to now is 45.2 secs Computing kpt #: 468 total cpu time spent up to now is 45.3 secs Computing kpt #: 469 total cpu time spent up to now is 45.5 secs Computing kpt #: 470 total cpu time spent up to now is 45.6 secs Computing kpt #: 471 total cpu time spent up to now is 45.7 secs Computing kpt #: 472 total cpu time spent up to now is 45.8 secs ethr = 6.25E-08, avg # of iterations = 15.3 total cpu time spent up to now is 45.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 893 PWs) bands (ev): -34.8937 -34.8937 -13.5737 -13.5737 -13.0597 -13.0597 -13.0597 -13.0597 -1.0075 -1.0075 13.1873 13.1873 13.2184 13.2184 13.2184 13.2184 15.7150 15.7150 15.7150 15.7150 15.7316 15.7316 17.0536 17.0536 k = 0.0070-0.0041 0.0057 ( 909 PWs) bands (ev): -34.8936 -34.8936 -13.5740 -13.5740 -13.0602 -13.0602 -13.0599 -13.0599 -1.0063 -1.0063 13.1825 13.1825 13.2119 13.2119 13.2162 13.2162 15.7147 15.7147 15.7187 15.7187 15.7338 15.7338 17.0540 17.0540 k = 0.0141-0.0081 0.0115 ( 909 PWs) bands (ev): -34.8934 -34.8934 -13.5746 -13.5746 -13.0612 -13.0612 -13.0603 -13.0603 -1.0026 -1.0026 13.1634 13.1634 13.1972 13.1972 13.2097 13.2097 15.7114 15.7114 15.7300 15.7300 15.7432 15.7432 17.0555 17.0555 k = 0.0211-0.0122 0.0172 ( 917 PWs) bands (ev): -34.8930 -34.8930 -13.5757 -13.5757 -13.0628 -13.0628 -13.0610 -13.0610 -0.9966 -0.9966 13.1234 13.1234 13.1819 13.1819 13.1990 13.1990 15.7035 15.7035 15.7487 15.7487 15.7609 15.7609 17.0580 17.0580 k = 0.0282-0.0163 0.0230 ( 917 PWs) bands (ev): -34.8925 -34.8925 -13.5771 -13.5771 -13.0650 -13.0650 -13.0618 -13.0618 -0.9883 -0.9883 13.0648 13.0648 13.1655 13.1655 13.1842 13.1842 15.6916 15.6916 15.7745 15.7745 15.7863 15.7863 17.0615 17.0615 k = 0.0352-0.0203 0.0287 ( 917 PWs) bands (ev): -34.8919 -34.8919 -13.5790 -13.5790 -13.0678 -13.0678 -13.0629 -13.0629 -0.9775 -0.9775 12.9910 12.9910 13.1463 13.1463 13.1658 13.1658 15.6762 15.6762 15.8071 15.8071 15.8188 15.8188 17.0660 17.0660 k = 0.0423-0.0244 0.0345 ( 917 PWs) bands (ev): -34.8911 -34.8911 -13.5812 -13.5812 -13.0712 -13.0712 -13.0642 -13.0642 -0.9645 -0.9645 12.9043 12.9043 13.1241 13.1241 13.1441 13.1441 15.6573 15.6573 15.8461 15.8461 15.8577 15.8577 17.0715 17.0715 k = 0.0493-0.0285 0.0402 ( 917 PWs) bands (ev): -34.8901 -34.8901 -13.5838 -13.5838 -13.0752 -13.0752 -13.0657 -13.0657 -0.9493 -0.9493 12.8069 12.8069 13.0992 13.0992 13.1194 13.1194 15.6351 15.6351 15.8911 15.8911 15.9027 15.9027 17.0780 17.0780 k = 0.0563-0.0325 0.0460 ( 917 PWs) bands (ev): -34.8890 -34.8890 -13.5869 -13.5869 -13.0797 -13.0797 -13.0675 -13.0675 -0.9319 -0.9319 12.7006 12.7006 13.0717 13.0717 13.0922 13.0922 15.6098 15.6098 15.9416 15.9416 15.9533 15.9533 17.0854 17.0854 k = 0.0634-0.0366 0.0517 ( 917 PWs) bands (ev): -34.8878 -34.8878 -13.5903 -13.5903 -13.0848 -13.0848 -13.0695 -13.0695 -0.9124 -0.9124 12.5870 12.5870 13.0422 13.0422 13.0628 13.0628 15.5814 15.5814 15.9972 15.9972 16.0090 16.0090 17.0939 17.0939 k = 0.0704-0.0407 0.0575 ( 917 PWs) bands (ev): -34.8865 -34.8865 -13.5941 -13.5941 -13.0904 -13.0904 -13.0717 -13.0717 -0.8908 -0.8908 12.4677 12.4677 13.0109 13.0109 13.0316 13.0316 15.5501 15.5501 16.0575 16.0575 16.0694 16.0694 17.1032 17.1032 k = 0.0775-0.0447 0.0632 ( 917 PWs) bands (ev): -34.8850 -34.8850 -13.5983 -13.5983 -13.0965 -13.0965 -13.0741 -13.0741 -0.8674 -0.8674 12.3439 12.3439 12.9782 12.9782 12.9990 12.9990 15.5160 15.5160 16.1219 16.1219 16.1339 16.1339 17.1135 17.1135 k = 0.0845-0.0488 0.0690 ( 917 PWs) bands (ev): -34.8834 -34.8834 -13.6029 -13.6029 -13.1030 -13.1030 -13.0767 -13.0767 -0.8421 -0.8421 12.2170 12.2170 12.9444 12.9444 12.9654 12.9654 15.4793 15.4793 16.1901 16.1901 16.2023 16.2023 17.1248 17.1248 k = 0.0915-0.0529 0.0747 ( 917 PWs) bands (ev): -34.8817 -34.8817 -13.6078 -13.6078 -13.1100 -13.1100 -13.0795 -13.0795 -0.8150 -0.8150 12.0879 12.0879 12.9099 12.9099 12.9310 12.9310 15.4400 15.4400 16.2616 16.2616 16.2739 16.2739 17.1369 17.1369 k = 0.0986-0.0569 0.0805 ( 917 PWs) bands (ev): -34.8798 -34.8798 -13.6132 -13.6132 -13.1174 -13.1174 -13.0826 -13.0826 -0.7864 -0.7864 11.9575 11.9575 12.8749 12.8749 12.8962 12.8962 15.3985 15.3985 16.3361 16.3361 16.3485 16.3485 17.1499 17.1499 k = 0.1056-0.0610 0.0862 ( 917 PWs) bands (ev): -34.8778 -34.8778 -13.6189 -13.6189 -13.1252 -13.1252 -13.0858 -13.0858 -0.7563 -0.7563 11.8266 11.8266 12.8397 12.8397 12.8611 12.8611 15.3547 15.3547 16.4132 16.4132 16.4257 16.4257 17.1638 17.1638 k = 0.1127-0.0651 0.0920 ( 917 PWs) bands (ev): -34.8757 -34.8757 -13.6249 -13.6249 -13.1333 -13.1333 -13.0892 -13.0892 -0.7248 -0.7248 11.6960 11.6960 12.8045 12.8045 12.8261 12.8261 15.3090 15.3090 16.4925 16.4925 16.5051 16.5051 17.1786 17.1786 k = 0.1197-0.0691 0.0977 ( 917 PWs) bands (ev): -34.8735 -34.8735 -13.6313 -13.6313 -13.1418 -13.1418 -13.0928 -13.0928 -0.6922 -0.6922 11.5663 11.5663 12.7696 12.7696 12.7914 12.7914 15.2614 15.2614 16.5737 16.5737 16.5865 16.5865 17.1941 17.1941 k = 0.1268-0.0732 0.1035 ( 909 PWs) bands (ev): -34.8712 -34.8712 -13.6379 -13.6379 -13.1504 -13.1504 -13.0965 -13.0965 -0.6584 -0.6584 11.4380 11.4380 12.7353 12.7353 12.7573 12.7573 15.2122 15.2122 16.6565 16.6565 16.6694 16.6694 17.2105 17.2105 k = 0.1338-0.0773 0.1092 ( 909 PWs) bands (ev): -34.8688 -34.8688 -13.6450 -13.6450 -13.1594 -13.1594 -13.1004 -13.1004 -0.6237 -0.6237 11.3117 11.3117 12.7014 12.7014 12.7236 12.7236 15.1613 15.1613 16.7405 16.7405 16.7536 16.7536 17.2276 17.2276 k = 0.1408-0.0813 0.1150 ( 909 PWs) bands (ev): -34.8663 -34.8663 -13.6523 -13.6523 -13.1685 -13.1685 -13.1045 -13.1045 -0.5883 -0.5883 11.1877 11.1877 12.6682 12.6682 12.6906 12.6906 15.1091 15.1091 16.8255 16.8255 16.8387 16.8387 17.2455 17.2455 k = 0.1479-0.0854 0.1207 ( 909 PWs) bands (ev): -34.8637 -34.8637 -13.6600 -13.6600 -13.1779 -13.1779 -13.1088 -13.1088 -0.5523 -0.5523 11.0666 11.0666 12.6358 12.6358 12.6585 12.6585 15.0557 15.0557 16.9113 16.9113 16.9246 16.9246 17.2642 17.2642 k = 0.1549-0.0894 0.1265 ( 909 PWs) bands (ev): -34.8610 -34.8610 -13.6679 -13.6679 -13.1874 -13.1874 -13.1131 -13.1131 -0.5158 -0.5158 10.9486 10.9486 12.6044 12.6044 12.6273 12.6273 15.0011 15.0011 16.9974 16.9974 17.0108 17.0108 17.2835 17.2835 k = 0.1620-0.0935 0.1322 ( 913 PWs) bands (ev): -34.8582 -34.8582 -13.6762 -13.6762 -13.1971 -13.1971 -13.1177 -13.1177 -0.4791 -0.4791 10.8341 10.8341 12.5740 12.5740 12.5972 12.5972 14.9457 14.9457 17.0837 17.0837 17.0972 17.0972 17.3036 17.3036 k = 0.1690-0.0976 0.1380 ( 913 PWs) bands (ev): -34.8553 -34.8553 -13.6846 -13.6846 -13.2068 -13.2068 -13.1223 -13.1223 -0.4423 -0.4423 10.7235 10.7235 12.5448 12.5448 12.5682 12.5682 14.8895 14.8895 17.1699 17.1699 17.1834 17.1834 17.3243 17.3243 k = 0.1761-0.1016 0.1437 ( 913 PWs) bands (ev): -34.8524 -34.8524 -13.6933 -13.6933 -13.2166 -13.2166 -13.1271 -13.1271 -0.4055 -0.4055 10.6170 10.6170 12.5167 12.5167 12.5404 12.5404 14.8327 14.8327 17.2559 17.2559 17.2690 17.2690 17.3460 17.3460 k = 0.1831-0.1057 0.1495 ( 909 PWs) bands (ev): -34.8494 -34.8494 -13.7022 -13.7022 -13.2264 -13.2264 -13.1319 -13.1319 -0.3691 -0.3691 10.5149 10.5149 12.4899 12.4899 12.5139 12.5139 14.7756 14.7756 17.3413 17.3413 17.3505 17.3505 17.3719 17.3719 k = 0.1901-0.1098 0.1552 ( 909 PWs) bands (ev): -34.8464 -34.8464 -13.7113 -13.7113 -13.2362 -13.2362 -13.1369 -13.1369 -0.3330 -0.3330 10.4174 10.4174 12.4643 12.4643 12.4886 12.4886 14.7179 14.7179 17.3873 17.3873 17.4259 17.4259 17.4420 17.4420 k = 0.1972-0.1138 0.1610 ( 909 PWs) bands (ev): -34.8433 -34.8433 -13.7205 -13.7205 -13.2461 -13.2461 -13.1419 -13.1419 -0.2975 -0.2975 10.3248 10.3248 12.4400 12.4400 12.4646 12.4646 14.6601 14.6601 17.4109 17.4109 17.5095 17.5095 17.5249 17.5249 k = 0.2042-0.1179 0.1667 ( 909 PWs) bands (ev): -34.8401 -34.8401 -13.7299 -13.7299 -13.2559 -13.2559 -13.1470 -13.1470 -0.2628 -0.2628 10.2372 10.2372 12.4171 12.4171 12.4420 12.4420 14.6021 14.6021 17.4344 17.4344 17.5918 17.5918 17.6072 17.6072 k = 0.2113-0.1220 0.1725 ( 909 PWs) bands (ev): -34.8369 -34.8369 -13.7395 -13.7395 -13.2656 -13.2656 -13.1522 -13.1522 -0.2290 -0.2290 10.1549 10.1549 12.3955 12.3955 12.4207 12.4207 14.5442 14.5442 17.4581 17.4581 17.6728 17.6728 17.6882 17.6882 k = 0.2183-0.1260 0.1782 ( 897 PWs) bands (ev): -34.8337 -34.8337 -13.7490 -13.7490 -13.2752 -13.2752 -13.1574 -13.1574 -0.1963 -0.1963 10.0786 10.0786 12.3753 12.3753 12.4009 12.4009 14.4864 14.4864 17.4821 17.4821 17.7521 17.7521 17.7676 17.7676 k = 0.2254-0.1301 0.1840 ( 897 PWs) bands (ev): -34.8304 -34.8304 -13.7588 -13.7588 -13.2847 -13.2847 -13.1627 -13.1627 -0.1647 -0.1647 10.0072 10.0072 12.3564 12.3564 12.3823 12.3823 14.4289 14.4289 17.5064 17.5064 17.8296 17.8296 17.8452 17.8452 k = 0.2324-0.1342 0.1897 ( 902 PWs) bands (ev): -34.8272 -34.8272 -13.7686 -13.7686 -13.2943 -13.2943 -13.1681 -13.1681 -0.1347 -0.1347 9.9412 9.9412 12.3388 12.3388 12.3651 12.3651 14.3717 14.3717 17.5310 17.5310 17.9051 17.9051 17.9208 17.9208 k = 0.2394-0.1382 0.1955 ( 902 PWs) bands (ev): -34.8239 -34.8239 -13.7785 -13.7785 -13.3036 -13.3036 -13.1734 -13.1734 -0.1060 -0.1060 9.8811 9.8811 12.3226 12.3226 12.3492 12.3492 14.3150 14.3150 17.5559 17.5559 17.9784 17.9784 17.9943 17.9943 k = 0.2465-0.1423 0.2012 ( 902 PWs) bands (ev): -34.8206 -34.8206 -13.7883 -13.7883 -13.3128 -13.3128 -13.1788 -13.1788 -0.0790 -0.0790 9.8268 9.8268 12.3077 12.3077 12.3346 12.3346 14.2589 14.2589 17.5809 17.5809 18.0494 18.0494 18.0654 18.0654 k = 0.2535-0.1464 0.2070 ( 902 PWs) bands (ev): -34.8172 -34.8172 -13.7981 -13.7981 -13.3219 -13.3219 -13.1842 -13.1842 -0.0536 -0.0536 9.7783 9.7783 12.2941 12.2941 12.3214 12.3214 14.2034 14.2034 17.6060 17.6060 18.1179 18.1179 18.1341 18.1341 k = 0.2606-0.1504 0.2127 ( 902 PWs) bands (ev): -34.8139 -34.8139 -13.8080 -13.8080 -13.3307 -13.3307 -13.1895 -13.1895 -0.0299 -0.0299 9.7356 9.7356 12.2818 12.2818 12.3094 12.3094 14.1486 14.1486 17.6313 17.6313 18.1838 18.1838 18.2001 18.2001 k = 0.2676-0.1545 0.2185 ( 902 PWs) bands (ev): -34.8106 -34.8106 -13.8177 -13.8177 -13.3395 -13.3395 -13.1949 -13.1949 -0.0081 -0.0081 9.6986 9.6986 12.2707 12.2707 12.2987 12.2987 14.0947 14.0947 17.6565 17.6565 18.2469 18.2469 18.2634 18.2634 k = 0.2746-0.1586 0.2242 ( 894 PWs) bands (ev): -34.8074 -34.8074 -13.8273 -13.8273 -13.3479 -13.3479 -13.2002 -13.2002 0.0118 0.0118 9.6677 9.6677 12.2609 12.2609 12.2893 12.2893 14.0417 14.0417 17.6818 17.6818 18.3073 18.3073 18.3239 18.3239 k = 0.2817-0.1626 0.2300 ( 894 PWs) bands (ev): -34.8041 -34.8041 -13.8369 -13.8369 -13.3563 -13.3563 -13.2055 -13.2055 0.0298 0.0298 9.6422 9.6422 12.2522 12.2522 12.2810 12.2810 13.9896 13.9896 17.7070 17.7070 18.3647 18.3647 18.3815 18.3815 k = 0.2887-0.1667 0.2357 ( 894 PWs) bands (ev): -34.8009 -34.8009 -13.8463 -13.8463 -13.3644 -13.3644 -13.2107 -13.2107 0.0458 0.0458 9.6223 9.6223 12.2447 12.2447 12.2738 12.2738 13.9386 13.9386 17.7321 17.7321 18.4192 18.4192 18.4360 18.4360 k = 0.2958-0.1708 0.2415 ( 898 PWs) bands (ev): -34.7977 -34.7977 -13.8557 -13.8557 -13.3724 -13.3724 -13.2159 -13.2159 0.0599 0.0599 9.6077 9.6077 12.2382 12.2382 12.2677 12.2677 13.8887 13.8887 17.7571 17.7571 18.4706 18.4706 18.4876 18.4876 k = 0.3028-0.1748 0.2472 ( 910 PWs) bands (ev): -34.7945 -34.7945 -13.8650 -13.8650 -13.3802 -13.3802 -13.2212 -13.2212 0.0720 0.0720 9.5985 9.5985 12.2327 12.2327 12.2626 12.2626 13.8398 13.8398 17.7818 17.7818 18.5190 18.5190 18.5361 18.5361 k = 0.3099-0.1789 0.2530 ( 910 PWs) bands (ev): -34.7914 -34.7914 -13.8739 -13.8739 -13.3877 -13.3877 -13.2262 -13.2262 0.0824 0.0824 9.5943 9.5943 12.2283 12.2283 12.2586 12.2586 13.7923 13.7923 17.8063 17.8063 18.5643 18.5643 18.5815 18.5815 k = 0.3169-0.1830 0.2587 ( 910 PWs) bands (ev): -34.7884 -34.7884 -13.8827 -13.8827 -13.3950 -13.3950 -13.2311 -13.2311 0.0909 0.0909 9.5950 9.5950 12.2248 12.2248 12.2554 12.2554 13.7461 13.7461 17.8305 17.8305 18.6065 18.6065 18.6239 18.6239 k = 0.3239-0.1870 0.2645 ( 910 PWs) bands (ev): -34.7854 -34.7854 -13.8912 -13.8912 -13.4020 -13.4020 -13.2360 -13.2360 0.0977 0.0977 9.6002 9.6002 12.2222 12.2222 12.2532 12.2532 13.7013 13.7013 17.8543 17.8543 18.6457 18.6457 18.6632 18.6632 k = 0.3310-0.1911 0.2702 ( 906 PWs) bands (ev): -34.7825 -34.7825 -13.8995 -13.8995 -13.4088 -13.4088 -13.2407 -13.2407 0.1029 0.1029 9.6100 9.6100 12.2204 12.2204 12.2518 12.2518 13.6578 13.6578 17.8777 17.8777 18.6820 18.6820 18.6995 18.6995 k = 0.3380-0.1952 0.2760 ( 910 PWs) bands (ev): -34.7796 -34.7796 -13.9076 -13.9076 -13.4154 -13.4154 -13.2453 -13.2453 0.1062 0.1062 9.6236 9.6236 12.2193 12.2193 12.2511 12.2511 13.6158 13.6158 17.9006 17.9006 18.7153 18.7153 18.7329 18.7329 k = 0.3451-0.1992 0.2817 ( 910 PWs) bands (ev): -34.7768 -34.7768 -13.9154 -13.9154 -13.4217 -13.4217 -13.2498 -13.2498 0.1083 0.1083 9.6409 9.6409 12.2190 12.2190 12.2511 12.2511 13.5752 13.5752 17.9230 17.9230 18.7458 18.7458 18.7634 18.7634 k = 0.3521-0.2033 0.2875 ( 918 PWs) bands (ev): -34.7741 -34.7741 -13.9230 -13.9230 -13.4278 -13.4278 -13.2543 -13.2543 0.1090 0.1090 9.6614 9.6614 12.2193 12.2193 12.2517 12.2517 13.5359 13.5359 17.9448 17.9448 18.7735 18.7735 18.7912 18.7912 k = 0.3592-0.2074 0.2932 ( 918 PWs) bands (ev): -34.7715 -34.7715 -13.9303 -13.9303 -13.4336 -13.4336 -13.2585 -13.2585 0.1086 0.1086 9.6851 9.6851 12.2201 12.2201 12.2529 12.2529 13.4984 13.4984 17.9660 17.9660 18.7986 18.7986 18.8164 18.8164 k = 0.3662-0.2114 0.2990 ( 918 PWs) bands (ev): -34.7690 -34.7690 -13.9372 -13.9372 -13.4392 -13.4392 -13.2626 -13.2626 0.1070 0.1070 9.7113 9.7113 12.2215 12.2215 12.2546 12.2546 13.4626 13.4626 17.9865 17.9865 18.8211 18.8211 18.8390 18.8390 k = 0.3732-0.2155 0.3047 ( 910 PWs) bands (ev): -34.7666 -34.7666 -13.9438 -13.9438 -13.4444 -13.4444 -13.2664 -13.2664 0.1045 0.1045 9.7398 9.7398 12.2233 12.2233 12.2568 12.2568 13.4286 13.4286 18.0064 18.0064 18.8413 18.8413 18.8593 18.8593 k = 0.3803-0.2196 0.3105 ( 910 PWs) bands (ev): -34.7643 -34.7643 -13.9501 -13.9501 -13.4494 -13.4494 -13.2702 -13.2702 0.1012 0.1012 9.7701 9.7701 12.2255 12.2255 12.2592 12.2592 13.3961 13.3961 18.0254 18.0254 18.8592 18.8592 18.8772 18.8772 k = 0.3873-0.2236 0.3162 ( 910 PWs) bands (ev): -34.7621 -34.7621 -13.9561 -13.9561 -13.4541 -13.4541 -13.2738 -13.2738 0.0972 0.0972 9.8017 9.8017 12.2280 12.2280 12.2620 12.2620 13.3653 13.3653 18.0436 18.0436 18.8751 18.8751 18.8931 18.8931 k = 0.3944-0.2277 0.3220 ( 910 PWs) bands (ev): -34.7600 -34.7600 -13.9618 -13.9618 -13.4586 -13.4586 -13.2772 -13.2772 0.0926 0.0926 9.8343 9.8343 12.2307 12.2307 12.2650 12.2650 13.3362 13.3362 18.0610 18.0610 18.8890 18.8890 18.9070 18.9070 k = 0.4014-0.2318 0.3277 ( 902 PWs) bands (ev): -34.7580 -34.7580 -13.9671 -13.9671 -13.4627 -13.4627 -13.2803 -13.2803 0.0876 0.0876 9.8674 9.8674 12.2337 12.2337 12.2682 12.2682 13.3090 13.3090 18.0775 18.0775 18.9010 18.9010 18.9191 18.9191 k = 0.4085-0.2358 0.3335 ( 906 PWs) bands (ev): -34.7561 -34.7561 -13.9721 -13.9721 -13.4667 -13.4667 -13.2834 -13.2834 0.0824 0.0824 9.9005 9.9005 12.2367 12.2367 12.2715 12.2715 13.2835 13.2835 18.0930 18.0930 18.9115 18.9115 18.9296 18.9296 k = 0.4155-0.2399 0.3392 ( 906 PWs) bands (ev): -34.7544 -34.7544 -13.9767 -13.9767 -13.4703 -13.4703 -13.2862 -13.2862 0.0769 0.0769 9.9333 9.9333 12.2397 12.2397 12.2748 12.2748 13.2598 13.2598 18.1075 18.1075 18.9204 18.9204 18.9385 18.9385 k = 0.4225-0.2440 0.3450 ( 906 PWs) bands (ev): -34.7528 -34.7528 -13.9810 -13.9810 -13.4737 -13.4737 -13.2888 -13.2888 0.0715 0.0715 9.9654 9.9654 12.2428 12.2428 12.2781 12.2781 13.2379 13.2379 18.1210 18.1210 18.9280 18.9280 18.9461 18.9461 k = 0.4296-0.2480 0.3507 ( 906 PWs) bands (ev): -34.7513 -34.7513 -13.9849 -13.9849 -13.4768 -13.4768 -13.2912 -13.2912 0.0661 0.0661 9.9963 9.9963 12.2457 12.2457 12.2812 12.2812 13.2179 13.2179 18.1335 18.1335 18.9344 18.9344 18.9526 18.9526 k = 0.4366-0.2521 0.3565 ( 914 PWs) bands (ev): -34.7499 -34.7499 -13.9886 -13.9886 -13.4796 -13.4796 -13.2934 -13.2934 0.0607 0.0607 10.0256 10.0256 12.2486 12.2486 12.2843 12.2843 13.1996 13.1996 18.1449 18.1449 18.9397 18.9397 18.9579 18.9579 k = 0.4437-0.2561 0.3622 ( 922 PWs) bands (ev): -34.7487 -34.7487 -13.9918 -13.9918 -13.4822 -13.4822 -13.2955 -13.2955 0.0557 0.0557 10.0529 10.0529 12.2513 12.2513 12.2872 12.2872 13.1829 13.1829 18.1551 18.1551 18.9441 18.9441 18.9623 18.9623 k = 0.4507-0.2602 0.3680 ( 926 PWs) bands (ev): -34.7476 -34.7476 -13.9947 -13.9947 -13.4844 -13.4844 -13.2972 -13.2972 0.0508 0.0508 10.0779 10.0779 12.2538 12.2538 12.2898 12.2898 13.1684 13.1684 18.1643 18.1643 18.9477 18.9477 18.9659 18.9659 k = 0.4577-0.2643 0.3737 ( 926 PWs) bands (ev): -34.7467 -34.7467 -13.9972 -13.9972 -13.4863 -13.4863 -13.2987 -13.2987 0.0467 0.0467 10.1003 10.1003 12.2561 12.2561 12.2922 12.2922 13.1559 13.1559 18.1722 18.1722 18.9506 18.9506 18.9687 18.9687 k = 0.4648-0.2683 0.3795 ( 926 PWs) bands (ev): -34.7459 -34.7459 -13.9992 -13.9992 -13.4880 -13.4880 -13.3000 -13.3000 0.0431 0.0431 10.1198 10.1198 12.2580 12.2580 12.2943 12.2943 13.1453 13.1453 18.1790 18.1790 18.9528 18.9528 18.9710 18.9710 k = 0.4718-0.2724 0.3852 ( 934 PWs) bands (ev): -34.7453 -34.7453 -14.0010 -14.0010 -13.4893 -13.4893 -13.3011 -13.3011 0.0398 0.0398 10.1360 10.1360 12.2597 12.2597 12.2960 12.2960 13.1366 13.1366 18.1846 18.1846 18.9545 18.9545 18.9727 18.9727 k = 0.4789-0.2765 0.3910 ( 934 PWs) bands (ev): -34.7447 -34.7447 -14.0024 -14.0024 -13.4904 -13.4904 -13.3019 -13.3019 0.0374 0.0374 10.1489 10.1489 12.2610 12.2610 12.2974 12.2974 13.1298 13.1298 18.1889 18.1889 18.9558 18.9558 18.9740 18.9740 k = 0.4859-0.2805 0.3967 ( 934 PWs) bands (ev): -34.7444 -34.7444 -14.0033 -14.0033 -13.4911 -13.4911 -13.3025 -13.3025 0.0356 0.0356 10.1583 10.1583 12.2620 12.2620 12.2984 12.2984 13.1250 13.1250 18.1920 18.1920 18.9567 18.9567 18.9749 18.9749 k = 0.4930-0.2846 0.4025 ( 934 PWs) bands (ev): -34.7442 -34.7442 -14.0039 -14.0039 -13.4916 -13.4916 -13.3029 -13.3029 0.0345 0.0345 10.1639 10.1639 12.2625 12.2625 12.2990 12.2990 13.1221 13.1221 18.1939 18.1939 18.9572 18.9572 18.9754 18.9754 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0041 -14.0041 -13.4917 -13.4917 -13.3030 -13.3030 0.0342 0.0342 10.1658 10.1658 12.2627 12.2627 12.2993 12.2993 13.1211 13.1211 18.1945 18.1945 18.9574 18.9574 18.9756 18.9756 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0041 -14.0041 -13.4917 -13.4917 -13.3030 -13.3030 0.0342 0.0342 10.1658 10.1658 12.2627 12.2627 12.2993 12.2993 13.1211 13.1211 18.1945 18.1945 18.9574 18.9574 18.9756 18.9756 k = 0.5000-0.2807 0.4139 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0040 -14.0040 -13.4917 -13.4917 -13.3031 -13.3031 0.0350 0.0350 10.1659 10.1659 12.2553 12.2553 12.2921 12.2921 13.1333 13.1333 18.1982 18.1982 18.9567 18.9567 18.9750 18.9750 k = 0.5000-0.2726 0.4196 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0037 -14.0037 -13.4919 -13.4919 -13.3035 -13.3035 0.0373 0.0373 10.1662 10.1662 12.2317 12.2317 12.2737 12.2737 13.1682 13.1682 18.2093 18.2093 18.9545 18.9545 18.9734 18.9734 k = 0.5000-0.2646 0.4253 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0032 -14.0032 -13.4921 -13.4921 -13.3042 -13.3042 0.0412 0.0412 10.1667 10.1667 12.1917 12.1917 12.2485 12.2485 13.2220 13.2220 18.2276 18.2276 18.9500 18.9500 18.9715 18.9715 k = 0.5000-0.2566 0.4309 ( 932 PWs) bands (ev): -34.7441 -34.7441 -14.0026 -14.0026 -13.4923 -13.4923 -13.3051 -13.3051 0.0466 0.0466 10.1675 10.1675 12.1391 12.1391 12.2172 12.2172 13.2901 13.2901 18.2526 18.2526 18.9425 18.9425 18.9700 18.9700 k = 0.5000-0.2486 0.4366 ( 928 PWs) bands (ev): -34.7441 -34.7441 -14.0017 -14.0017 -13.4926 -13.4926 -13.3062 -13.3062 0.0535 0.0535 10.1684 10.1684 12.0787 12.0787 12.1793 12.1793 13.3692 13.3692 18.2840 18.2840 18.9319 18.9319 18.9691 18.9691 k = 0.5000-0.2406 0.4423 ( 928 PWs) bands (ev): -34.7441 -34.7441 -14.0007 -14.0007 -13.4930 -13.4930 -13.3077 -13.3077 0.0617 0.0617 10.1696 10.1696 12.0134 12.0134 12.1348 12.1348 13.4562 13.4562 18.3211 18.3211 18.9181 18.9181 18.9685 18.9685 k = 0.5000-0.2325 0.4479 ( 920 PWs) bands (ev): -34.7440 -34.7440 -13.9995 -13.9995 -13.4934 -13.4934 -13.3093 -13.3093 0.0715 0.0715 10.1711 10.1711 11.9456 11.9456 12.0840 12.0840 13.5496 13.5496 18.3632 18.3632 18.9014 18.9014 18.9682 18.9682 k = 0.5000-0.2245 0.4536 ( 920 PWs) bands (ev): -34.7440 -34.7440 -13.9982 -13.9982 -13.4939 -13.4939 -13.3112 -13.3112 0.0825 0.0825 10.1728 10.1728 11.8763 11.8763 12.0275 12.0275 13.6477 13.6477 18.4096 18.4096 18.8817 18.8817 18.9680 18.9680 k = 0.5000-0.2165 0.4593 ( 914 PWs) bands (ev): -34.7440 -34.7440 -13.9967 -13.9967 -13.4944 -13.4944 -13.3133 -13.3133 0.0948 0.0948 10.1748 10.1748 11.8067 11.8067 11.9659 11.9659 13.7499 13.7499 18.4596 18.4596 18.8590 18.8590 18.9680 18.9680 k = 0.5000-0.2085 0.4649 ( 918 PWs) bands (ev): -34.7440 -34.7440 -13.9951 -13.9951 -13.4951 -13.4951 -13.3157 -13.3157 0.1082 0.1082 10.1771 10.1771 11.7372 11.7372 11.8998 11.8998 13.8552 13.8552 18.5123 18.5123 18.8332 18.8332 18.9680 18.9680 k = 0.5000-0.2005 0.4706 ( 918 PWs) bands (ev): -34.7440 -34.7440 -13.9934 -13.9934 -13.4957 -13.4957 -13.3182 -13.3182 0.1227 0.1227 10.1798 10.1798 11.6684 11.6684 11.8300 11.8300 13.9634 13.9634 18.5669 18.5669 18.8042 18.8042 18.9682 18.9682 k = 0.5000-0.1925 0.4763 ( 912 PWs) bands (ev): -34.7440 -34.7440 -13.9915 -13.9915 -13.4963 -13.4963 -13.3209 -13.3209 0.1383 0.1383 10.1828 10.1828 11.6007 11.6007 11.7572 11.7572 14.0741 14.0741 18.6226 18.6226 18.7721 18.7721 18.9683 18.9683 k = 0.5000-0.1844 0.4820 ( 916 PWs) bands (ev): -34.7439 -34.7439 -13.9895 -13.9895 -13.4970 -13.4970 -13.3239 -13.3239 0.1546 0.1546 10.1863 10.1863 11.5341 11.5341 11.6820 11.6820 14.1869 14.1869 18.6784 18.6784 18.7369 18.7369 18.9685 18.9685 k = 0.5000-0.1764 0.4876 ( 916 PWs) bands (ev): -34.7439 -34.7439 -13.9875 -13.9875 -13.4977 -13.4977 -13.3270 -13.3270 0.1717 0.1717 10.1903 10.1903 11.4689 11.4689 11.6051 11.6051 14.3015 14.3015 18.6971 18.6971 18.7350 18.7350 18.9688 18.9688 k = 0.5000-0.1684 0.4933 ( 916 PWs) bands (ev): -34.7439 -34.7439 -13.9854 -13.9854 -13.4983 -13.4983 -13.3302 -13.3302 0.1895 0.1895 10.1947 10.1947 11.4052 11.4052 11.5272 11.5272 14.4179 14.4179 18.6552 18.6552 18.7893 18.7893 18.9692 18.9692 k = 0.5000-0.1604 0.4990 ( 920 PWs) bands (ev): -34.7439 -34.7439 -13.9832 -13.9832 -13.4990 -13.4990 -13.3336 -13.3336 0.2078 0.2078 10.1995 10.1995 11.3431 11.3431 11.4489 11.4489 14.5357 14.5357 18.6095 18.6095 18.8422 18.8422 18.9697 18.9697 k = 0.5000-0.1524 0.5046 ( 916 PWs) bands (ev): -34.7438 -34.7438 -13.9809 -13.9809 -13.4996 -13.4996 -13.3370 -13.3370 0.2266 0.2266 10.2051 10.2051 11.2829 11.2829 11.3708 11.3708 14.6549 14.6549 18.5601 18.5601 18.8925 18.8925 18.9708 18.9708 k = 0.5000-0.1443 0.5103 ( 916 PWs) bands (ev): -34.7438 -34.7438 -13.9787 -13.9787 -13.5002 -13.5002 -13.3405 -13.3405 0.2456 0.2456 10.2112 10.2112 11.2241 11.2241 11.2935 11.2935 14.7751 14.7751 18.5070 18.5070 18.9379 18.9379 18.9743 18.9743 k = 0.5000-0.1363 0.5160 ( 916 PWs) bands (ev): -34.7438 -34.7438 -13.9764 -13.9764 -13.5007 -13.5007 -13.3440 -13.3440 0.2646 0.2646 10.2181 10.2181 11.1668 11.1668 11.2176 11.2176 14.8963 14.8963 18.4503 18.4503 18.9626 18.9626 18.9957 18.9957 k = 0.5000-0.1283 0.5217 ( 912 PWs) bands (ev): -34.7438 -34.7438 -13.9741 -13.9741 -13.5012 -13.5012 -13.3476 -13.3476 0.2838 0.2838 10.2256 10.2256 11.1106 11.1106 11.1443 11.1443 15.0184 15.0184 18.3898 18.3898 18.9665 18.9665 19.0347 19.0347 k = 0.5000-0.1203 0.5273 ( 912 PWs) bands (ev): -34.7438 -34.7438 -13.9718 -13.9718 -13.5016 -13.5016 -13.3512 -13.3512 0.3027 0.3027 10.2339 10.2339 11.0538 11.0538 11.0755 11.0755 15.1411 15.1411 18.3256 18.3256 18.9677 18.9677 19.0733 19.0733 k = 0.5000-0.1123 0.5330 ( 912 PWs) bands (ev): -34.7437 -34.7437 -13.9696 -13.9696 -13.5020 -13.5020 -13.3547 -13.3547 0.3212 0.3212 10.2429 10.2429 10.9923 10.9923 11.0159 11.0159 15.2643 15.2643 18.2576 18.2576 18.9683 18.9683 19.1092 19.1092 k = 0.5000-0.1042 0.5387 ( 912 PWs) bands (ev): -34.7437 -34.7437 -13.9674 -13.9674 -13.5023 -13.5023 -13.3583 -13.3583 0.3393 0.3393 10.2529 10.2529 10.9281 10.9281 10.9638 10.9638 15.3879 15.3879 18.1860 18.1860 18.9687 18.9687 19.1420 19.1420 k = 0.5000-0.0962 0.5443 ( 912 PWs) bands (ev): -34.7437 -34.7437 -13.9654 -13.9654 -13.5026 -13.5026 -13.3617 -13.3617 0.3568 0.3568 10.2637 10.2637 10.8655 10.8655 10.9154 10.9154 15.5117 15.5117 18.1107 18.1107 18.9690 18.9690 19.1717 19.1717 k = 0.5000-0.0882 0.5500 ( 908 PWs) bands (ev): -34.7437 -34.7437 -13.9633 -13.9633 -13.5028 -13.5028 -13.3650 -13.3650 0.3735 0.3735 10.2754 10.2754 10.8062 10.8062 10.8693 10.8693 15.6355 15.6355 18.0318 18.0318 18.9693 18.9693 19.1984 19.1984 k = 0.5000-0.0802 0.5557 ( 908 PWs) bands (ev): -34.7437 -34.7437 -13.9614 -13.9614 -13.5029 -13.5029 -13.3682 -13.3682 0.3894 0.3894 10.2882 10.2882 10.7508 10.7508 10.8252 10.8252 15.7593 15.7593 17.9493 17.9493 18.9695 18.9695 19.2221 19.2221 k = 0.5000-0.0722 0.5613 ( 908 PWs) bands (ev): -34.7436 -34.7436 -13.9597 -13.9597 -13.5030 -13.5030 -13.3712 -13.3712 0.4041 0.4041 10.3019 10.3019 10.6996 10.6996 10.7831 10.7831 15.8827 15.8827 17.8633 17.8633 18.9697 18.9697 19.2430 19.2430 k = 0.5000-0.0642 0.5670 ( 908 PWs) bands (ev): -34.7436 -34.7436 -13.9581 -13.9581 -13.5030 -13.5030 -13.3740 -13.3740 0.4177 0.4177 10.3168 10.3168 10.6530 10.6530 10.7429 10.7429 16.0058 16.0058 17.7740 17.7740 18.9699 18.9699 19.2612 19.2612 k = 0.5000-0.0561 0.5727 ( 908 PWs) bands (ev): -34.7436 -34.7436 -13.9566 -13.9566 -13.5030 -13.5030 -13.3766 -13.3766 0.4301 0.4301 10.3327 10.3327 10.6112 10.6112 10.7045 10.7045 16.1282 16.1282 17.6814 17.6814 18.9701 18.9701 19.2770 19.2770 k = 0.5000-0.0481 0.5784 ( 908 PWs) bands (ev): -34.7436 -34.7436 -13.9553 -13.9553 -13.5029 -13.5029 -13.3789 -13.3789 0.4410 0.4410 10.3498 10.3498 10.5746 10.5746 10.6679 10.6679 16.2499 16.2499 17.5857 17.5857 18.9702 18.9702 19.2903 19.2903 k = 0.5000-0.0401 0.5840 ( 908 PWs) bands (ev): -34.7436 -34.7436 -13.9541 -13.9541 -13.5029 -13.5029 -13.3809 -13.3809 0.4504 0.4504 10.3681 10.3681 10.5432 10.5432 10.6330 10.6330 16.3706 16.3706 17.4870 17.4870 18.9703 18.9703 19.3014 19.3014 k = 0.5000-0.0321 0.5897 ( 900 PWs) bands (ev): -34.7436 -34.7436 -13.9531 -13.9531 -13.5027 -13.5027 -13.3826 -13.3826 0.4584 0.4584 10.3877 10.3877 10.5175 10.5175 10.6001 10.6001 16.4902 16.4902 17.3854 17.3854 18.9704 18.9704 19.3104 19.3104 k = 0.5000-0.0241 0.5954 ( 900 PWs) bands (ev): -34.7436 -34.7436 -13.9524 -13.9524 -13.5027 -13.5027 -13.3839 -13.3839 0.4646 0.4646 10.4083 10.4083 10.4972 10.4972 10.5689 10.5689 16.6085 16.6085 17.2812 17.2812 18.9705 18.9705 19.3173 19.3173 k = 0.5000-0.0160 0.6010 ( 896 PWs) bands (ev): -34.7436 -34.7436 -13.9518 -13.9518 -13.5026 -13.5026 -13.3849 -13.3849 0.4690 0.4690 10.4300 10.4300 10.4827 10.4827 10.5398 10.5398 16.7253 16.7253 17.1744 17.1744 18.9705 18.9705 19.3221 19.3221 k = 0.5000-0.0080 0.6067 ( 892 PWs) bands (ev): -34.7436 -34.7436 -13.9515 -13.9515 -13.5025 -13.5025 -13.3854 -13.3854 0.4717 0.4717 10.4517 10.4517 10.4740 10.4740 10.5136 10.5136 16.8404 16.8404 17.0654 17.0654 18.9706 18.9706 19.3250 19.3250 k = 0.5000-0.0000 0.6124 ( 892 PWs) bands (ev): -34.7436 -34.7436 -13.9514 -13.9514 -13.5025 -13.5025 -13.3856 -13.3856 0.4726 0.4726 10.4655 10.4655 10.4709 10.4709 10.4985 10.4985 16.9477 16.9477 16.9601 16.9601 18.9706 18.9706 19.3260 19.3260 k = 0.5000-0.0000 0.6124 ( 892 PWs) bands (ev): -34.7436 -34.7436 -13.9514 -13.9514 -13.5025 -13.5025 -13.3856 -13.3856 0.4726 0.4726 10.4655 10.4655 10.4709 10.4709 10.4985 10.4985 16.9477 16.9477 16.9601 16.9601 18.9706 18.9706 19.3260 19.3260 k = 0.4952 0.0083 0.6124 ( 892 PWs) bands (ev): -34.7436 -34.7436 -13.9514 -13.9514 -13.5026 -13.5026 -13.3853 -13.3853 0.4724 0.4724 10.4470 10.4470 10.4662 10.4662 10.5226 10.5226 16.8758 16.8758 17.0316 17.0316 18.9702 18.9702 19.3264 19.3264 k = 0.4904 0.0167 0.6124 ( 898 PWs) bands (ev): -34.7436 -34.7436 -13.9517 -13.9517 -13.5031 -13.5031 -13.3843 -13.3843 0.4720 0.4720 10.4263 10.4263 10.4504 10.4504 10.5616 10.5616 16.7978 16.7978 17.1083 17.1083 18.9691 18.9691 19.3280 19.3280 k = 0.4856 0.0250 0.6124 ( 906 PWs) bands (ev): -34.7437 -34.7437 -13.9521 -13.9521 -13.5039 -13.5039 -13.3827 -13.3827 0.4712 0.4712 10.4059 10.4059 10.4343 10.4343 10.6023 10.6023 16.7198 16.7198 17.1843 17.1843 18.9673 18.9673 19.3311 19.3311 k = 0.4808 0.0333 0.6124 ( 910 PWs) bands (ev): -34.7438 -34.7438 -13.9526 -13.9526 -13.5050 -13.5050 -13.3804 -13.3804 0.4701 0.4701 10.3858 10.3858 10.4188 10.4188 10.6439 10.6439 16.6419 16.6419 17.2594 17.2594 18.9645 18.9645 19.3358 19.3358 k = 0.4760 0.0416 0.6124 ( 910 PWs) bands (ev): -34.7439 -34.7439 -13.9532 -13.9532 -13.5063 -13.5063 -13.3775 -13.3775 0.4690 0.4690 10.3660 10.3660 10.4042 10.4042 10.6858 10.6858 16.5644 16.5644 17.3337 17.3337 18.9609 18.9609 19.3424 19.3424 k = 0.4712 0.0500 0.6124 ( 910 PWs) bands (ev): -34.7441 -34.7441 -13.9539 -13.9539 -13.5079 -13.5079 -13.3741 -13.3741 0.4676 0.4676 10.3467 10.3467 10.3904 10.3904 10.7279 10.7279 16.4874 16.4874 17.4070 17.4070 18.9564 18.9564 19.3510 19.3510 k = 0.4663 0.0583 0.6124 ( 910 PWs) bands (ev): -34.7442 -34.7442 -13.9546 -13.9546 -13.5096 -13.5096 -13.3703 -13.3703 0.4661 0.4661 10.3279 10.3279 10.3775 10.3775 10.7700 10.7700 16.4112 16.4112 17.4792 17.4792 18.9508 18.9508 19.3616 19.3616 k = 0.4615 0.0666 0.6124 ( 910 PWs) bands (ev): -34.7444 -34.7444 -13.9554 -13.9554 -13.5115 -13.5115 -13.3661 -13.3661 0.4645 0.4645 10.3096 10.3096 10.3653 10.3653 10.8121 10.8121 16.3360 16.3360 17.5502 17.5502 18.9441 18.9441 19.3744 19.3744 k = 0.4567 0.0749 0.6124 ( 910 PWs) bands (ev): -34.7446 -34.7446 -13.9563 -13.9563 -13.5136 -13.5136 -13.3617 -13.3617 0.4627 0.4627 10.2918 10.2918 10.3539 10.3539 10.8539 10.8539 16.2621 16.2621 17.6200 17.6200 18.9362 18.9362 19.3892 19.3892 k = 0.4519 0.0833 0.6124 ( 911 PWs) bands (ev): -34.7448 -34.7448 -13.9573 -13.9573 -13.5157 -13.5157 -13.3571 -13.3571 0.4608 0.4608 10.2746 10.2746 10.3433 10.3433 10.8951 10.8951 16.1898 16.1898 17.6884 17.6884 18.9271 18.9271 19.4060 19.4060 k = 0.4471 0.0916 0.6124 ( 911 PWs) bands (ev): -34.7450 -34.7450 -13.9582 -13.9582 -13.5178 -13.5178 -13.3524 -13.3524 0.4589 0.4589 10.2582 10.2582 10.3334 10.3334 10.9358 10.9358 16.1193 16.1193 17.7555 17.7555 18.9167 18.9167 19.4246 19.4246 k = 0.4423 0.0999 0.6124 ( 907 PWs) bands (ev): -34.7451 -34.7451 -13.9592 -13.9592 -13.5200 -13.5200 -13.3476 -13.3476 0.4569 0.4569 10.2425 10.2425 10.3243 10.3243 10.9757 10.9757 16.0511 16.0511 17.8210 17.8210 18.9049 18.9049 19.4451 19.4451 k = 0.4375 0.1083 0.6124 ( 907 PWs) bands (ev): -34.7453 -34.7453 -13.9601 -13.9601 -13.5221 -13.5221 -13.3429 -13.3429 0.4550 0.4550 10.2276 10.2276 10.3158 10.3158 11.0145 11.0145 15.9853 15.9853 17.8851 17.8851 18.8917 18.8917 19.4671 19.4671 k = 0.4327 0.1166 0.6124 ( 907 PWs) bands (ev): -34.7455 -34.7455 -13.9611 -13.9611 -13.5241 -13.5241 -13.3383 -13.3383 0.4531 0.4531 10.2135 10.2135 10.3080 10.3080 11.0520 11.0520 15.9225 15.9225 17.9475 17.9475 18.8770 18.8770 19.4905 19.4905 k = 0.4279 0.1249 0.6124 ( 909 PWs) bands (ev): -34.7457 -34.7457 -13.9620 -13.9620 -13.5261 -13.5261 -13.3339 -13.3339 0.4512 0.4512 10.2003 10.2003 10.3008 10.3008 11.0879 11.0879 15.8628 15.8628 18.0082 18.0082 18.8608 18.8608 19.5150 19.5150 k = 0.4231 0.1332 0.6124 ( 907 PWs) bands (ev): -34.7459 -34.7459 -13.9629 -13.9629 -13.5279 -13.5279 -13.3297 -13.3297 0.4495 0.4495 10.1881 10.1881 10.2943 10.2943 11.1220 11.1220 15.8068 15.8068 18.0671 18.0671 18.8429 18.8429 19.5404 19.5404 k = 0.4183 0.1416 0.6124 ( 906 PWs) bands (ev): -34.7460 -34.7460 -13.9637 -13.9637 -13.5296 -13.5296 -13.3257 -13.3257 0.4478 0.4478 10.1768 10.1768 10.2885 10.2885 11.1540 11.1540 15.7546 15.7546 18.1242 18.1242 18.8233 18.8233 19.5664 19.5664 k = 0.4135 0.1499 0.6124 ( 906 PWs) bands (ev): -34.7462 -34.7462 -13.9645 -13.9645 -13.5312 -13.5312 -13.3221 -13.3221 0.4462 0.4462 10.1666 10.1666 10.2833 10.2833 11.1836 11.1836 15.7068 15.7068 18.1794 18.1794 18.8020 18.8020 19.5925 19.5925 k = 0.4087 0.1582 0.6124 ( 910 PWs) bands (ev): -34.7463 -34.7463 -13.9652 -13.9652 -13.5327 -13.5327 -13.3188 -13.3188 0.4448 0.4448 10.1575 10.1575 10.2787 10.2787 11.2105 11.2105 15.6636 15.6636 18.2325 18.2325 18.7791 18.7791 19.6185 19.6185 k = 0.4038 0.1665 0.6124 ( 908 PWs) bands (ev): -34.7464 -34.7464 -13.9658 -13.9658 -13.5339 -13.5339 -13.3159 -13.3159 0.4435 0.4435 10.1495 10.1495 10.2749 10.2749 11.2344 11.2344 15.6254 15.6254 18.2836 18.2836 18.7543 18.7543 19.6439 19.6439 k = 0.3990 0.1749 0.6124 ( 908 PWs) bands (ev): -34.7465 -34.7465 -13.9664 -13.9664 -13.5350 -13.5350 -13.3134 -13.3134 0.4424 0.4424 10.1427 10.1427 10.2715 10.2715 11.2552 11.2552 15.5925 15.5925 18.3325 18.3325 18.7279 18.7279 19.6681 19.6681 k = 0.3942 0.1832 0.6124 ( 912 PWs) bands (ev): -34.7466 -34.7466 -13.9668 -13.9668 -13.5359 -13.5359 -13.3113 -13.3113 0.4414 0.4414 10.1370 10.1370 10.2688 10.2688 11.2724 11.2724 15.5651 15.5651 18.3789 18.3789 18.7000 18.7000 19.6902 19.6902 k = 0.3894 0.1915 0.6124 ( 912 PWs) bands (ev): -34.7467 -34.7467 -13.9672 -13.9672 -13.5366 -13.5366 -13.3096 -13.3096 0.4407 0.4407 10.1326 10.1326 10.2667 10.2667 11.2862 11.2862 15.5436 15.5436 18.4225 18.4225 18.6708 18.6708 19.7096 19.7096 k = 0.3846 0.1999 0.6124 ( 912 PWs) bands (ev): -34.7468 -34.7468 -13.9675 -13.9675 -13.5371 -13.5371 -13.3085 -13.3085 0.4401 0.4401 10.1295 10.1295 10.2652 10.2652 11.2961 11.2961 15.5281 15.5281 18.4623 18.4623 18.6414 18.6414 19.7248 19.7248 k = 0.3798 0.2082 0.6124 ( 908 PWs) bands (ev): -34.7468 -34.7468 -13.9676 -13.9676 -13.5374 -13.5374 -13.3077 -13.3077 0.4399 0.4399 10.1276 10.1276 10.2643 10.2643 11.3021 11.3021 15.5187 15.5187 18.4951 18.4951 18.6148 18.6148 19.7348 19.7348 k = 0.3750 0.2165 0.6124 ( 902 PWs) bands (ev): -34.7468 -34.7468 -13.9676 -13.9676 -13.5375 -13.5375 -13.3073 -13.3073 0.4399 0.4399 10.1271 10.1271 10.2640 10.2640 11.3042 11.3042 15.5156 15.5156 18.5101 18.5101 18.6018 18.6018 19.7382 19.7382 k = 0.3750 0.2165 0.6124 ( 902 PWs) bands (ev): -34.7468 -34.7468 -13.9676 -13.9676 -13.5375 -13.5375 -13.3073 -13.3073 0.4399 0.4399 10.1271 10.1271 10.2640 10.2640 11.3042 11.3042 15.5156 15.5156 18.5101 18.5101 18.6018 18.6018 19.7382 19.7382 k = 0.3701 0.2137 0.6043 ( 905 PWs) bands (ev): -34.7473 -34.7473 -13.9666 -13.9666 -13.5399 -13.5399 -13.3044 -13.3044 0.4641 0.4641 10.0418 10.0418 10.2741 10.2741 11.2551 11.2551 15.6372 15.6372 18.4747 18.4747 18.5719 18.5719 19.7276 19.7276 k = 0.3651 0.2108 0.5963 ( 909 PWs) bands (ev): -34.7478 -34.7478 -13.9658 -13.9658 -13.5420 -13.5420 -13.3012 -13.3012 0.4879 0.4879 9.9584 9.9584 10.2852 10.2852 11.2070 11.2070 15.7596 15.7596 18.4381 18.4381 18.5408 18.5408 19.7153 19.7153 k = 0.3602 0.2080 0.5882 ( 909 PWs) bands (ev): -34.7484 -34.7484 -13.9651 -13.9651 -13.5437 -13.5437 -13.2977 -13.2977 0.5114 0.5114 9.8775 9.8775 10.2972 10.2972 11.1603 11.1603 15.8826 15.8826 18.4004 18.4004 18.5085 18.5085 19.7014 19.7014 k = 0.3553 0.2051 0.5801 ( 909 PWs) bands (ev): -34.7490 -34.7490 -13.9646 -13.9646 -13.5449 -13.5449 -13.2940 -13.2940 0.5342 0.5342 9.7993 9.7993 10.3101 10.3101 11.1151 11.1151 16.0062 16.0062 18.3616 18.3616 18.4751 18.4751 19.6859 19.6859 k = 0.3503 0.2023 0.5721 ( 901 PWs) bands (ev): -34.7498 -34.7498 -13.9642 -13.9642 -13.5455 -13.5455 -13.2900 -13.2900 0.5564 0.5564 9.7240 9.7240 10.3240 10.3240 11.0717 11.0717 16.1300 16.1300 18.3218 18.3218 18.4406 18.4406 19.6688 19.6688 k = 0.3454 0.1994 0.5640 ( 901 PWs) bands (ev): -34.7505 -34.7505 -13.9641 -13.9641 -13.5458 -13.5458 -13.2859 -13.2859 0.5776 0.5776 9.6516 9.6516 10.3387 10.3387 11.0297 11.0297 16.2538 16.2538 18.2809 18.2809 18.4050 18.4050 19.6501 19.6501 k = 0.3405 0.1966 0.5560 ( 901 PWs) bands (ev): -34.7514 -34.7514 -13.9640 -13.9640 -13.5455 -13.5455 -13.2817 -13.2817 0.5977 0.5977 9.5825 9.5825 10.3544 10.3544 10.9895 10.9895 16.3773 16.3773 18.2390 18.2390 18.3683 18.3683 19.6299 19.6299 k = 0.3355 0.1937 0.5479 ( 901 PWs) bands (ev): -34.7523 -34.7523 -13.9641 -13.9641 -13.5447 -13.5447 -13.2773 -13.2773 0.6167 0.6167 9.5168 9.5168 10.3712 10.3712 10.9513 10.9513 16.5004 16.5004 18.1962 18.1962 18.3306 18.3306 19.6083 19.6083 k = 0.3306 0.1909 0.5399 ( 901 PWs) bands (ev): -34.7533 -34.7533 -13.9642 -13.9642 -13.5433 -13.5433 -13.2728 -13.2728 0.6344 0.6344 9.4546 9.4546 10.3889 10.3889 10.9150 10.9150 16.6225 16.6225 18.1525 18.1525 18.2918 18.2918 19.5853 19.5853 k = 0.3257 0.1880 0.5318 ( 901 PWs) bands (ev): -34.7544 -34.7544 -13.9644 -13.9644 -13.5414 -13.5414 -13.2681 -13.2681 0.6506 0.6506 9.3963 9.3963 10.4078 10.4078 10.8807 10.8807 16.7435 16.7435 18.1080 18.1080 18.2521 18.2521 19.5610 19.5610 k = 0.3207 0.1852 0.5237 ( 901 PWs) bands (ev): -34.7555 -34.7555 -13.9646 -13.9646 -13.5390 -13.5390 -13.2634 -13.2634 0.6652 0.6652 9.3418 9.3418 10.4277 10.4277 10.8486 10.8486 16.8629 16.8629 18.0626 18.0626 18.2113 18.2113 19.5355 19.5355 k = 0.3158 0.1823 0.5157 ( 905 PWs) bands (ev): -34.7567 -34.7567 -13.9647 -13.9647 -13.5361 -13.5361 -13.2586 -13.2586 0.6782 0.6782 9.2915 9.2915 10.4486 10.4486 10.8185 10.8185 16.9804 16.9804 18.0165 18.0165 18.1697 18.1697 19.5088 19.5088 k = 0.3109 0.1795 0.5076 ( 909 PWs) bands (ev): -34.7580 -34.7580 -13.9649 -13.9649 -13.5328 -13.5328 -13.2538 -13.2538 0.6893 0.6893 9.2454 9.2454 10.4708 10.4708 10.7909 10.7909 17.0953 17.0953 17.9696 17.9696 18.1271 18.1271 19.4811 19.4811 k = 0.3059 0.1766 0.4996 ( 905 PWs) bands (ev): -34.7594 -34.7594 -13.9647 -13.9647 -13.5288 -13.5288 -13.2488 -13.2488 0.6984 0.6984 9.2038 9.2038 10.4942 10.4942 10.7658 10.7658 17.2074 17.2074 17.9221 17.9221 18.0837 18.0837 19.4523 19.4523 k = 0.3010 0.1738 0.4915 ( 905 PWs) bands (ev): -34.7609 -34.7609 -13.9644 -13.9644 -13.5245 -13.5245 -13.2438 -13.2438 0.7056 0.7056 9.1666 9.1666 10.5188 10.5188 10.7429 10.7429 17.3161 17.3161 17.8740 17.8740 18.0395 18.0395 19.4227 19.4227 k = 0.2961 0.1709 0.4835 ( 901 PWs) bands (ev): -34.7624 -34.7624 -13.9639 -13.9639 -13.5197 -13.5197 -13.2388 -13.2388 0.7107 0.7107 9.1344 9.1344 10.5446 10.5446 10.7226 10.7226 17.4208 17.4208 17.8253 17.8253 17.9946 17.9946 19.3923 19.3923 k = 0.2911 0.1681 0.4754 ( 901 PWs) bands (ev): -34.7640 -34.7640 -13.9631 -13.9631 -13.5146 -13.5146 -13.2338 -13.2338 0.7134 0.7134 9.1067 9.1067 10.5717 10.5717 10.7048 10.7048 17.5210 17.5210 17.7761 17.7761 17.9489 17.9489 19.3613 19.3613 k = 0.2862 0.1652 0.4673 ( 901 PWs) bands (ev): -34.7657 -34.7657 -13.9620 -13.9620 -13.5091 -13.5091 -13.2288 -13.2288 0.7138 0.7138 9.0840 9.0840 10.6000 10.6000 10.6895 10.6895 17.6159 17.6159 17.7265 17.7265 17.9026 17.9026 19.3297 19.3297 k = 0.2812 0.1624 0.4593 ( 903 PWs) bands (ev): -34.7675 -34.7675 -13.9605 -13.9605 -13.5032 -13.5032 -13.2238 -13.2238 0.7118 0.7118 9.0662 9.0662 10.6295 10.6295 10.6769 10.6769 17.6762 17.6762 17.7051 17.7051 17.8560 17.8560 19.2975 19.2975 k = 0.2763 0.1595 0.4512 ( 903 PWs) bands (ev): -34.7694 -34.7694 -13.9587 -13.9587 -13.4971 -13.4971 -13.2187 -13.2187 0.7074 0.7074 9.0535 9.0535 10.6599 10.6599 10.6674 10.6674 17.6259 17.6259 17.7840 17.7840 17.8124 17.8124 19.2650 19.2650 k = 0.2714 0.1567 0.4432 ( 903 PWs) bands (ev): -34.7714 -34.7714 -13.9564 -13.9564 -13.4906 -13.4906 -13.2137 -13.2137 0.7005 0.7005 9.0459 9.0459 10.6593 10.6593 10.6929 10.6929 17.5751 17.5751 17.7584 17.7584 17.8659 17.8659 19.2322 19.2322 k = 0.2664 0.1538 0.4351 ( 899 PWs) bands (ev): -34.7734 -34.7734 -13.9537 -13.9537 -13.4838 -13.4838 -13.2087 -13.2087 0.6910 0.6910 9.0435 9.0435 10.6547 10.6547 10.7264 10.7264 17.5242 17.5242 17.7104 17.7104 17.9339 17.9339 19.1991 19.1991 k = 0.2615 0.1510 0.4270 ( 907 PWs) bands (ev): -34.7755 -34.7755 -13.9506 -13.9506 -13.4769 -13.4769 -13.2038 -13.2038 0.6790 0.6790 9.0462 9.0462 10.6525 10.6525 10.7609 10.7609 17.4730 17.4730 17.6615 17.6615 17.9943 17.9943 19.1658 19.1658 k = 0.2566 0.1481 0.4190 ( 907 PWs) bands (ev): -34.7777 -34.7777 -13.9470 -13.9470 -13.4697 -13.4697 -13.1989 -13.1989 0.6646 0.6646 9.0542 9.0542 10.6533 10.6533 10.7972 10.7972 17.4217 17.4217 17.6122 17.6122 18.0464 18.0464 19.1322 19.1322 k = 0.2516 0.1453 0.4109 ( 907 PWs) bands (ev): -34.7800 -34.7800 -13.9429 -13.9429 -13.4623 -13.4623 -13.1940 -13.1940 0.6477 0.6477 9.0674 9.0674 10.6569 10.6569 10.8348 10.8348 17.3704 17.3704 17.5625 17.5625 18.0897 18.0897 19.0983 19.0983 k = 0.2467 0.1424 0.4029 ( 907 PWs) bands (ev): -34.7823 -34.7823 -13.9383 -13.9383 -13.4548 -13.4548 -13.1892 -13.1892 0.6283 0.6283 9.0858 9.0858 10.6632 10.6632 10.8738 10.8738 17.3190 17.3190 17.5125 17.5125 18.1240 18.1240 19.0639 19.0639 k = 0.2418 0.1396 0.3948 ( 907 PWs) bands (ev): -34.7848 -34.7848 -13.9332 -13.9332 -13.4470 -13.4470 -13.1844 -13.1844 0.6065 0.6065 9.1093 9.1093 10.6723 10.6723 10.9141 10.9141 17.2676 17.2676 17.4624 17.4624 18.1494 18.1494 19.0289 19.0289 k = 0.2368 0.1367 0.3868 ( 901 PWs) bands (ev): -34.7873 -34.7873 -13.9275 -13.9275 -13.4391 -13.4391 -13.1797 -13.1797 0.5825 0.5825 9.1380 9.1380 10.6844 10.6844 10.9558 10.9558 17.2164 17.2164 17.4121 17.4121 18.1659 18.1659 18.9929 18.9929 k = 0.2319 0.1339 0.3787 ( 909 PWs) bands (ev): -34.7898 -34.7898 -13.9214 -13.9214 -13.4311 -13.4311 -13.1751 -13.1751 0.5560 0.5560 9.1716 9.1716 10.6987 10.6987 10.9985 10.9985 17.1652 17.1652 17.3616 17.3616 18.1737 18.1737 18.9557 18.9557 k = 0.2270 0.1310 0.3706 ( 909 PWs) bands (ev): -34.7924 -34.7924 -13.9147 -13.9147 -13.4230 -13.4230 -13.1705 -13.1705 0.5274 0.5274 9.2103 9.2103 10.7162 10.7162 11.0428 11.0428 17.1143 17.1143 17.3111 17.3111 18.1734 18.1734 18.9170 18.9170 k = 0.2220 0.1282 0.3626 ( 909 PWs) bands (ev): -34.7951 -34.7951 -13.9076 -13.9076 -13.4147 -13.4147 -13.1660 -13.1660 0.4967 0.4967 9.2539 9.2539 10.7366 10.7366 11.0884 11.0884 17.0637 17.0637 17.2606 17.2606 18.1654 18.1654 18.8764 18.8764 k = 0.2171 0.1253 0.3545 ( 911 PWs) bands (ev): -34.7978 -34.7978 -13.9000 -13.9000 -13.4064 -13.4064 -13.1616 -13.1616 0.4640 0.4640 9.3022 9.3022 10.7597 10.7597 11.1353 11.1353 17.0133 17.0133 17.2102 17.2102 18.1503 18.1503 18.8338 18.8338 k = 0.2122 0.1225 0.3465 ( 911 PWs) bands (ev): -34.8006 -34.8006 -13.8919 -13.8919 -13.3979 -13.3979 -13.1572 -13.1572 0.4295 0.4295 9.3553 9.3553 10.7856 10.7856 11.1834 11.1834 16.9633 16.9633 17.1599 17.1599 18.1285 18.1285 18.7891 18.7891 k = 0.2072 0.1196 0.3384 ( 909 PWs) bands (ev): -34.8035 -34.8035 -13.8834 -13.8834 -13.3893 -13.3893 -13.1529 -13.1529 0.3932 0.3932 9.4130 9.4130 10.8143 10.8143 11.2328 11.2328 16.9137 16.9137 17.1097 17.1097 18.1006 18.1006 18.7423 18.7423 k = 0.2023 0.1168 0.3304 ( 909 PWs) bands (ev): -34.8063 -34.8063 -13.8744 -13.8744 -13.3807 -13.3807 -13.1487 -13.1487 0.3552 0.3552 9.4750 9.4750 10.8458 10.8458 11.2834 11.2834 16.8646 16.8646 17.0597 17.0597 18.0671 18.0671 18.6934 18.6934 k = 0.1974 0.1140 0.3223 ( 909 PWs) bands (ev): -34.8093 -34.8093 -13.8651 -13.8651 -13.3719 -13.3719 -13.1446 -13.1446 0.3158 0.3158 9.5414 9.5414 10.8800 10.8800 11.3351 11.3351 16.8159 16.8159 17.0100 17.0100 18.0284 18.0284 18.6427 18.6427 k = 0.1924 0.1111 0.3142 ( 909 PWs) bands (ev): -34.8122 -34.8122 -13.8554 -13.8554 -13.3631 -13.3631 -13.1406 -13.1406 0.2750 0.2750 9.6119 9.6119 10.9169 10.9169 11.3879 11.3879 16.7679 16.7679 16.9606 16.9606 17.9848 17.9848 18.5906 18.5906 k = 0.1875 0.1083 0.3062 ( 917 PWs) bands (ev): -34.8152 -34.8152 -13.8455 -13.8455 -13.3543 -13.3543 -13.1367 -13.1367 0.2329 0.2329 9.6864 9.6864 10.9561 10.9561 11.4416 11.4416 16.7204 16.7204 16.9115 16.9115 17.9366 17.9366 18.5375 18.5375 k = 0.1826 0.1054 0.2981 ( 917 PWs) bands (ev): -34.8182 -34.8182 -13.8352 -13.8352 -13.3453 -13.3453 -13.1329 -13.1329 0.1898 0.1898 9.7649 9.7649 10.9984 10.9984 11.4965 11.4965 16.6736 16.6736 16.8628 16.8628 17.8842 17.8842 18.4837 18.4837 k = 0.1776 0.1026 0.2901 ( 917 PWs) bands (ev): -34.8212 -34.8212 -13.8246 -13.8246 -13.3362 -13.3362 -13.1291 -13.1291 0.1458 0.1458 9.8470 9.8470 11.0433 11.0433 11.5524 11.5524 16.6275 16.6275 16.8145 16.8145 17.8277 17.8277 18.4296 18.4296 k = 0.1727 0.0997 0.2820 ( 909 PWs) bands (ev): -34.8242 -34.8242 -13.8138 -13.8138 -13.3269 -13.3269 -13.1254 -13.1254 0.1010 0.1010 9.9328 9.9328 11.0910 11.0910 11.6092 11.6092 16.5822 16.5822 16.7667 16.7667 17.7674 17.7674 18.3757 18.3757 k = 0.1678 0.0969 0.2740 ( 913 PWs) bands (ev): -34.8273 -34.8273 -13.8029 -13.8029 -13.3177 -13.3177 -13.1218 -13.1218 0.0555 0.0555 10.0219 10.0219 11.1409 11.1409 11.6666 11.6666 16.5376 16.5376 16.7194 16.7194 17.7038 17.7038 18.3222 18.3222 k = 0.1628 0.0940 0.2659 ( 909 PWs) bands (ev): -34.8303 -34.8303 -13.7918 -13.7918 -13.3083 -13.3083 -13.1183 -13.1183 0.0096 0.0096 10.1143 10.1143 11.1934 11.1934 11.7250 11.7250 16.4939 16.4939 16.6726 16.6726 17.6370 17.6370 18.2694 18.2694 k = 0.1579 0.0912 0.2578 ( 913 PWs) bands (ev): -34.8333 -34.8333 -13.7808 -13.7808 -13.2990 -13.2990 -13.1150 -13.1150 -0.0368 -0.0368 10.2097 10.2097 11.2483 11.2483 11.7839 11.7839 16.4510 16.4510 16.6265 16.6265 17.5675 17.5675 18.2174 18.2174 k = 0.1530 0.0883 0.2498 ( 913 PWs) bands (ev): -34.8364 -34.8364 -13.7696 -13.7696 -13.2895 -13.2895 -13.1117 -13.1117 -0.0834 -0.0834 10.3080 10.3080 11.3056 11.3056 11.8435 11.8435 16.4091 16.4091 16.5809 16.5809 17.4957 17.4957 18.1664 18.1664 k = 0.1480 0.0855 0.2417 ( 913 PWs) bands (ev): -34.8394 -34.8394 -13.7585 -13.7585 -13.2799 -13.2799 -13.1085 -13.1085 -0.1300 -0.1300 10.4090 10.4090 11.3651 11.3651 11.9036 11.9036 16.3681 16.3681 16.5360 16.5360 17.4220 17.4220 18.1163 18.1163 k = 0.1431 0.0826 0.2337 ( 911 PWs) bands (ev): -34.8423 -34.8423 -13.7474 -13.7474 -13.2702 -13.2702 -13.1054 -13.1054 -0.1766 -0.1766 10.5126 10.5126 11.4269 11.4269 11.9640 11.9640 16.3281 16.3281 16.4918 16.4918 17.3469 17.3469 18.0671 18.0671 k = 0.1382 0.0798 0.2256 ( 915 PWs) bands (ev): -34.8453 -34.8453 -13.7365 -13.7365 -13.2604 -13.2604 -13.1024 -13.1024 -0.2230 -0.2230 10.6185 10.6185 11.4907 11.4907 12.0247 12.0247 16.2891 16.2891 16.4483 16.4483 17.2706 17.2706 18.0189 18.0189 k = 0.1332 0.0769 0.2176 ( 915 PWs) bands (ev): -34.8482 -34.8482 -13.7257 -13.7257 -13.2506 -13.2506 -13.0995 -13.0995 -0.2691 -0.2691 10.7266 10.7266 11.5567 11.5567 12.0857 12.0857 16.2512 16.2512 16.4056 16.4056 17.1937 17.1937 17.9715 17.9715 k = 0.1283 0.0741 0.2095 ( 915 PWs) bands (ev): -34.8511 -34.8511 -13.7151 -13.7151 -13.2407 -13.2407 -13.0967 -13.0967 -0.3147 -0.3147 10.8366 10.8366 11.6245 11.6245 12.1467 12.1467 16.2143 16.2143 16.3637 16.3637 17.1165 17.1165 17.9250 17.9250 k = 0.1234 0.0712 0.2014 ( 915 PWs) bands (ev): -34.8539 -34.8539 -13.7048 -13.7048 -13.2308 -13.2308 -13.0940 -13.0940 -0.3598 -0.3598 10.9484 10.9484 11.6941 11.6941 12.2076 12.2076 16.1786 16.1786 16.3226 16.3226 17.0393 17.0393 17.8791 17.8791 k = 0.1184 0.0684 0.1934 ( 915 PWs) bands (ev): -34.8567 -34.8567 -13.6947 -13.6947 -13.2209 -13.2209 -13.0913 -13.0913 -0.4041 -0.4041 11.0617 11.0617 11.7654 11.7654 12.2683 12.2683 16.1441 16.1441 16.2824 16.2824 16.9624 16.9624 17.8339 17.8339 k = 0.1135 0.0655 0.1853 ( 915 PWs) bands (ev): -34.8594 -34.8594 -13.6849 -13.6849 -13.2109 -13.2109 -13.0888 -13.0888 -0.4477 -0.4477 11.1763 11.1763 11.8383 11.8383 12.3287 12.3287 16.1107 16.1107 16.2431 16.2431 16.8861 16.8861 17.7893 17.7893 k = 0.1086 0.0627 0.1773 ( 915 PWs) bands (ev): -34.8620 -34.8620 -13.6755 -13.6755 -13.2009 -13.2009 -13.0864 -13.0864 -0.4903 -0.4903 11.2919 11.2919 11.9125 11.9125 12.3885 12.3885 16.0786 16.0786 16.2047 16.2047 16.8106 16.8106 17.7452 17.7452 k = 0.1036 0.0598 0.1692 ( 911 PWs) bands (ev): -34.8646 -34.8646 -13.6663 -13.6663 -13.1910 -13.1910 -13.0841 -13.0841 -0.5318 -0.5318 11.4083 11.4083 11.9879 11.9879 12.4478 12.4478 16.0477 16.0477 16.1675 16.1675 16.7362 16.7362 17.7015 17.7015 k = 0.0987 0.0570 0.1612 ( 911 PWs) bands (ev): -34.8671 -34.8671 -13.6576 -13.6576 -13.1811 -13.1811 -13.0819 -13.0819 -0.5722 -0.5722 11.5253 11.5253 12.0643 12.0643 12.5062 12.5062 16.0180 16.0180 16.1311 16.1311 16.6630 16.6630 17.6583 17.6583 k = 0.0938 0.0541 0.1531 ( 911 PWs) bands (ev): -34.8695 -34.8695 -13.6493 -13.6493 -13.1714 -13.1714 -13.0798 -13.0798 -0.6113 -0.6113 11.6425 11.6425 12.1415 12.1415 12.5637 12.5637 15.9896 15.9896 16.0959 16.0959 16.5912 16.5912 17.6154 17.6154 k = 0.0888 0.0513 0.1450 ( 911 PWs) bands (ev): -34.8718 -34.8718 -13.6415 -13.6415 -13.1618 -13.1618 -13.0778 -13.0778 -0.6491 -0.6491 11.7596 11.7596 12.2192 12.2192 12.6199 12.6199 15.9626 15.9626 16.0617 16.0617 16.5210 16.5210 17.5730 17.5730 k = 0.0839 0.0484 0.1370 ( 911 PWs) bands (ev): -34.8740 -34.8740 -13.6340 -13.6340 -13.1524 -13.1524 -13.0759 -13.0759 -0.6854 -0.6854 11.8762 11.8762 12.2972 12.2972 12.6749 12.6749 15.9369 15.9369 16.0288 16.0288 16.4524 16.4524 17.5309 17.5309 k = 0.0789 0.0456 0.1289 ( 911 PWs) bands (ev): -34.8762 -34.8762 -13.6270 -13.6270 -13.1432 -13.1432 -13.0741 -13.0741 -0.7202 -0.7202 11.9920 11.9920 12.3751 12.3751 12.7283 12.7283 15.9125 15.9125 15.9970 15.9970 16.3855 16.3855 17.4893 17.4893 k = 0.0740 0.0427 0.1209 ( 911 PWs) bands (ev): -34.8782 -34.8782 -13.6204 -13.6204 -13.1343 -13.1343 -13.0724 -13.0724 -0.7533 -0.7533 12.1065 12.1065 12.4526 12.4526 12.7800 12.7800 15.8895 15.8895 15.9666 15.9666 16.3205 16.3205 17.4482 17.4482 k = 0.0691 0.0399 0.1128 ( 915 PWs) bands (ev): -34.8801 -34.8801 -13.6143 -13.6143 -13.1257 -13.1257 -13.0708 -13.0708 -0.7847 -0.7847 12.2192 12.2192 12.5294 12.5294 12.8296 12.8296 15.8679 15.8679 15.9374 15.9374 16.2575 16.2575 17.4078 17.4078 k = 0.0641 0.0370 0.1047 ( 915 PWs) bands (ev): -34.8819 -34.8819 -13.6086 -13.6086 -13.1174 -13.1174 -13.0693 -13.0693 -0.8143 -0.8143 12.3297 12.3297 12.6050 12.6050 12.8772 12.8772 15.8477 15.8477 15.9099 15.9099 16.1965 16.1965 17.3681 17.3681 k = 0.0592 0.0342 0.0967 ( 917 PWs) bands (ev): -34.8836 -34.8836 -13.6034 -13.6034 -13.1096 -13.1096 -13.0679 -13.0679 -0.8420 -0.8420 12.4373 12.4373 12.6789 12.6789 12.9225 12.9225 15.8289 15.8289 15.8837 15.8837 16.1377 16.1377 17.3293 17.3293 k = 0.0543 0.0313 0.0886 ( 917 PWs) bands (ev): -34.8852 -34.8852 -13.5986 -13.5986 -13.1022 -13.1022 -13.0667 -13.0667 -0.8677 -0.8677 12.5415 12.5415 12.7506 12.7506 12.9652 12.9652 15.8115 15.8115 15.8593 15.8593 16.0814 16.0814 17.2918 17.2918 k = 0.0493 0.0285 0.0806 ( 917 PWs) bands (ev): -34.8866 -34.8866 -13.5942 -13.5942 -13.0952 -13.0952 -13.0655 -13.0655 -0.8914 -0.8914 12.6414 12.6414 12.8196 12.8196 13.0052 13.0052 15.7956 15.7956 15.8365 15.8365 16.0276 16.0276 17.2557 17.2557 k = 0.0444 0.0256 0.0725 ( 917 PWs) bands (ev): -34.8880 -34.8880 -13.5903 -13.5903 -13.0888 -13.0888 -13.0644 -13.0644 -0.9131 -0.9131 12.7364 12.7364 12.8852 12.8852 13.0422 13.0422 15.7811 15.7811 15.8156 15.8156 15.9766 15.9766 17.2214 17.2214 k = 0.0395 0.0228 0.0645 ( 917 PWs) bands (ev): -34.8891 -34.8891 -13.5868 -13.5868 -13.0830 -13.0830 -13.0635 -13.0635 -0.9326 -0.9326 12.8253 12.8253 12.9468 12.9468 13.0761 13.0761 15.7680 15.7680 15.7965 15.7965 15.9288 15.9288 17.1892 17.1892 k = 0.0345 0.0199 0.0564 ( 917 PWs) bands (ev): -34.8902 -34.8902 -13.5838 -13.5838 -13.0777 -13.0777 -13.0627 -13.0627 -0.9500 -0.9500 12.9073 12.9073 13.0036 13.0036 13.1066 13.1066 15.7563 15.7563 15.7795 15.7795 15.8846 15.8846 17.1596 17.1596 k = 0.0296 0.0171 0.0483 ( 917 PWs) bands (ev): -34.8911 -34.8911 -13.5811 -13.5811 -13.0731 -13.0731 -13.0619 -13.0619 -0.9651 -0.9651 12.9813 12.9813 13.0550 13.0550 13.1337 13.1337 15.7461 15.7461 15.7646 15.7646 15.8445 15.8445 17.1329 17.1329 k = 0.0247 0.0142 0.0403 ( 917 PWs) bands (ev): -34.8919 -34.8919 -13.5789 -13.5789 -13.0691 -13.0691 -13.0613 -13.0613 -0.9780 -0.9780 13.0459 13.0459 13.1003 13.1003 13.1573 13.1573 15.7372 15.7372 15.7519 15.7519 15.8092 15.8092 17.1096 17.1096 k = 0.0197 0.0114 0.0322 ( 917 PWs) bands (ev): -34.8925 -34.8925 -13.5771 -13.5771 -13.0658 -13.0658 -13.0608 -13.0608 -0.9886 -0.9886 13.0996 13.0996 13.1391 13.1391 13.1772 13.1772 15.7296 15.7296 15.7412 15.7412 15.7794 15.7794 17.0898 17.0898 k = 0.0148 0.0085 0.0242 ( 917 PWs) bands (ev): -34.8930 -34.8930 -13.5757 -13.5757 -13.0633 -13.0633 -13.0604 -13.0604 -0.9968 -0.9968 13.1408 13.1408 13.1711 13.1711 13.1937 13.1937 15.7234 15.7234 15.7324 15.7324 15.7561 15.7561 17.0741 17.0741 k = 0.0099 0.0057 0.0161 ( 917 PWs) bands (ev): -34.8934 -34.8934 -13.5747 -13.5747 -13.0614 -13.0614 -13.0602 -13.0602 -1.0027 -1.0027 13.1682 13.1682 13.1963 13.1963 13.2067 13.2067 15.7188 15.7188 15.7244 15.7244 15.7408 15.7408 17.0627 17.0627 k = 0.0049 0.0028 0.0081 ( 913 PWs) bands (ev): -34.8936 -34.8936 -13.5740 -13.5740 -13.0603 -13.0603 -13.0599 -13.0599 -1.0063 -1.0063 13.1828 13.1828 13.2127 13.2127 13.2153 13.2153 15.7159 15.7159 15.7176 15.7176 15.7335 15.7335 17.0560 17.0592 k = 0.0000 0.0000 0.0000 ( 893 PWs) bands (ev): -34.8937 -34.8937 -13.5737 -13.5737 -13.0597 -13.0597 -13.0597 -13.0597 -1.0075 -1.0075 13.1873 13.1873 13.2184 13.2184 13.2184 13.2184 15.7150 15.7150 15.7150 15.7150 15.7316 15.7316 17.0536 17.0536 k = 0.0000 0.0000 0.0000 ( 893 PWs) bands (ev): -34.8937 -34.8937 -13.5737 -13.5737 -13.0597 -13.0597 -13.0597 -13.0597 -1.0075 -1.0075 13.1873 13.1873 13.2184 13.2184 13.2184 13.2184 15.7150 15.7150 15.7150 15.7150 15.7316 15.7316 17.0536 17.0536 k = 0.0081 0.0047 0.0033 ( 917 PWs) bands (ev): -34.8936 -34.8936 -13.5741 -13.5741 -13.0603 -13.0603 -13.0600 -13.0600 -1.0063 -1.0063 13.1829 13.1829 13.2133 13.2133 13.2147 13.2147 15.7167 15.7167 15.7169 15.7169 15.7334 15.7334 17.0576 17.0576 k = 0.0161 0.0093 0.0066 ( 917 PWs) bands (ev): -34.8934 -34.8934 -13.5747 -13.5747 -13.0615 -13.0615 -13.0601 -13.0601 -1.0027 -1.0027 13.1692 13.1692 13.1983 13.1983 13.2034 13.2034 15.7220 15.7220 15.7229 15.7229 15.7391 15.7391 17.0701 17.0701 k = 0.0242 0.0140 0.0099 ( 917 PWs) bands (ev): -34.8930 -34.8930 -13.5757 -13.5757 -13.0634 -13.0634 -13.0603 -13.0603 -0.9968 -0.9968 13.1451 13.1451 13.1752 13.1752 13.1850 13.1850 15.7307 15.7307 15.7326 15.7326 15.7486 15.7486 17.0908 17.0908 k = 0.0323 0.0186 0.0132 ( 917 PWs) bands (ev): -34.8925 -34.8925 -13.5771 -13.5771 -13.0661 -13.0661 -13.0606 -13.0606 -0.9885 -0.9885 13.1091 13.1091 13.1462 13.1462 13.1595 13.1595 15.7427 15.7427 15.7456 15.7456 15.7618 15.7618 17.1195 17.1195 k = 0.0403 0.0233 0.0165 ( 917 PWs) bands (ev): -34.8919 -34.8919 -13.5789 -13.5789 -13.0695 -13.0695 -13.0609 -13.0609 -0.9779 -0.9779 13.0614 13.0614 13.1122 13.1122 13.1276 13.1276 15.7578 15.7578 15.7615 15.7615 15.7785 15.7785 17.1558 17.1558 k = 0.0484 0.0279 0.0198 ( 917 PWs) bands (ev): -34.8911 -34.8911 -13.5812 -13.5812 -13.0736 -13.0736 -13.0614 -13.0614 -0.9650 -0.9650 13.0032 13.0032 13.0732 13.0732 13.0896 13.0896 15.7758 15.7758 15.7801 15.7801 15.7983 15.7983 17.1996 17.1997 k = 0.0565 0.0326 0.0230 ( 917 PWs) bands (ev): -34.8902 -34.8902 -13.5838 -13.5838 -13.0785 -13.0785 -13.0619 -13.0619 -0.9498 -0.9498 12.9356 12.9356 13.0294 13.0294 13.0461 13.0461 15.7966 15.7966 15.8010 15.8010 15.8208 15.8208 17.2505 17.2505 k = 0.0645 0.0372 0.0263 ( 917 PWs) bands (ev): -34.8891 -34.8891 -13.5869 -13.5869 -13.0839 -13.0839 -13.0625 -13.0625 -0.9323 -0.9323 12.8598 12.8598 12.9809 12.9809 12.9976 12.9976 15.8198 15.8198 15.8243 15.8243 15.8455 15.8455 17.3080 17.3080 k = 0.0726 0.0419 0.0296 ( 917 PWs) bands (ev): -34.8879 -34.8879 -13.5905 -13.5905 -13.0900 -13.0900 -13.0631 -13.0631 -0.9126 -0.9126 12.7767 12.7767 12.9282 12.9282 12.9447 12.9447 15.8455 15.8455 15.8497 15.8497 15.8720 15.8720 17.3717 17.3717 k = 0.0806 0.0466 0.0329 ( 917 PWs) bands (ev): -34.8866 -34.8866 -13.5945 -13.5945 -13.0967 -13.0967 -13.0639 -13.0639 -0.8908 -0.8908 12.6871 12.6871 12.8718 12.8718 12.8880 12.8880 15.8733 15.8733 15.8771 15.8771 15.8999 15.8999 17.4411 17.4411 k = 0.0887 0.0512 0.0362 ( 917 PWs) bands (ev): -34.8852 -34.8852 -13.5989 -13.5989 -13.1039 -13.1039 -13.0647 -13.0647 -0.8668 -0.8668 12.5918 12.5918 12.8121 12.8121 12.8279 12.8279 15.9032 15.9032 15.9064 15.9064 15.9291 15.9291 17.5159 17.5164 k = 0.0968 0.0559 0.0395 ( 914 PWs) bands (ev): -34.8836 -34.8836 -13.6039 -13.6039 -13.1115 -13.1115 -13.0655 -13.0655 -0.8407 -0.8407 12.4916 12.4916 12.7496 12.7496 12.7650 12.7650 15.9351 15.9351 15.9375 15.9375 15.9593 15.9593 17.5955 17.5955 k = 0.1048 0.0605 0.0428 ( 914 PWs) bands (ev): -34.8819 -34.8819 -13.6093 -13.6093 -13.1196 -13.1196 -13.0665 -13.0665 -0.8126 -0.8126 12.3868 12.3868 12.6848 12.6848 12.6997 12.6997 15.9690 15.9690 15.9700 15.9700 15.9905 15.9905 17.6795 17.6795 k = 0.1129 0.0652 0.0461 ( 914 PWs) bands (ev): -34.8801 -34.8801 -13.6152 -13.6152 -13.1281 -13.1281 -13.0675 -13.0675 -0.7825 -0.7825 12.2783 12.2783 12.6180 12.6180 12.6325 12.6325 16.0037 16.0037 16.0046 16.0046 16.0228 16.0228 17.7674 17.7674 k = 0.1210 0.0698 0.0494 ( 914 PWs) bands (ev): -34.8782 -34.8782 -13.6217 -13.6217 -13.1369 -13.1369 -13.0685 -13.0685 -0.7505 -0.7505 12.1664 12.1664 12.5497 12.5497 12.5637 12.5637 16.0380 16.0380 16.0421 16.0421 16.0569 16.0569 17.8589 17.8589 k = 0.1290 0.0745 0.0527 ( 914 PWs) bands (ev): -34.8762 -34.8762 -13.6286 -13.6286 -13.1460 -13.1460 -13.0697 -13.0697 -0.7166 -0.7166 12.0518 12.0518 12.4801 12.4801 12.4937 12.4937 16.0723 16.0723 16.0812 16.0812 16.0931 16.0931 17.9536 17.9536 k = 0.1371 0.0792 0.0560 ( 914 PWs) bands (ev): -34.8741 -34.8741 -13.6361 -13.6361 -13.1553 -13.1553 -13.0708 -13.0708 -0.6809 -0.6809 11.9348 11.9348 12.4096 12.4096 12.4227 12.4227 16.1063 16.1063 16.1221 16.1221 16.1319 16.1319 18.0510 18.0510 k = 0.1452 0.0838 0.0593 ( 914 PWs) bands (ev): -34.8719 -34.8719 -13.6442 -13.6442 -13.1647 -13.1647 -13.0721 -13.0721 -0.6436 -0.6436 11.8159 11.8159 12.3385 12.3385 12.3512 12.3512 16.1402 16.1402 16.1645 16.1645 16.1730 16.1730 18.1509 18.1509 k = 0.1532 0.0885 0.0626 ( 914 PWs) bands (ev): -34.8696 -34.8696 -13.6527 -13.6527 -13.1743 -13.1743 -13.0733 -13.0733 -0.6045 -0.6045 11.6954 11.6954 12.2670 12.2670 12.2793 12.2793 16.1743 16.1743 16.2086 16.2086 16.2161 16.2161 18.2530 18.2530 k = 0.1613 0.0931 0.0658 ( 917 PWs) bands (ev): -34.8672 -34.8672 -13.6619 -13.6619 -13.1839 -13.1839 -13.0746 -13.0746 -0.5640 -0.5640 11.5737 11.5737 12.1953 12.1953 12.2072 12.2072 16.2087 16.2087 16.2542 16.2542 16.2610 16.2610 18.3568 18.3568 k = 0.1694 0.0978 0.0691 ( 917 PWs) bands (ev): -34.8647 -34.8647 -13.6716 -13.6716 -13.1935 -13.1935 -13.0760 -13.0760 -0.5219 -0.5219 11.4510 11.4510 12.1238 12.1238 12.1353 12.1353 16.2439 16.2439 16.3014 16.3014 16.3076 16.3076 18.4622 18.4622 k = 0.1774 0.1024 0.0724 ( 917 PWs) bands (ev): -34.8622 -34.8622 -13.6818 -13.6818 -13.2030 -13.2030 -13.0774 -13.0774 -0.4785 -0.4785 11.3277 11.3277 12.0525 12.0525 12.0636 12.0636 16.2799 16.2799 16.3499 16.3499 16.3558 16.3558 18.5688 18.5688 k = 0.1855 0.1071 0.0757 ( 914 PWs) bands (ev): -34.8596 -34.8596 -13.6925 -13.6925 -13.2123 -13.2123 -13.0788 -13.0788 -0.4337 -0.4337 11.2040 11.2040 11.9816 11.9816 11.9924 11.9924 16.3168 16.3168 16.4000 16.4000 16.4054 16.4054 18.6765 18.6765 k = 0.1935 0.1117 0.0790 ( 914 PWs) bands (ev): -34.8569 -34.8569 -13.7038 -13.7038 -13.2216 -13.2216 -13.0803 -13.0803 -0.3877 -0.3877 11.0802 11.0802 11.9114 11.9114 11.9217 11.9217 16.3548 16.3548 16.4512 16.4512 16.4565 16.4565 18.7849 18.7849 k = 0.2016 0.1164 0.0823 ( 914 PWs) bands (ev): -34.8542 -34.8542 -13.7155 -13.7155 -13.2307 -13.2307 -13.0818 -13.0818 -0.3406 -0.3406 10.9566 10.9566 11.8418 11.8418 11.8519 11.8519 16.3939 16.3939 16.5038 16.5038 16.5088 16.5088 18.8938 18.8938 k = 0.2097 0.1211 0.0856 ( 914 PWs) bands (ev): -34.8515 -34.8515 -13.7278 -13.7278 -13.2395 -13.2395 -13.0833 -13.0833 -0.2924 -0.2924 10.8332 10.8332 11.7731 11.7731 11.7829 11.7829 16.4343 16.4343 16.5575 16.5575 16.5623 16.5623 19.0031 19.0031 k = 0.2177 0.1257 0.0889 ( 914 PWs) bands (ev): -34.8487 -34.8487 -13.7404 -13.7404 -13.2481 -13.2481 -13.0848 -13.0848 -0.2433 -0.2433 10.7105 10.7105 11.7054 11.7054 11.7148 11.7148 16.4761 16.4761 16.6123 16.6123 16.6170 16.6170 19.1124 19.1124 k = 0.2258 0.1304 0.0922 ( 914 PWs) bands (ev): -34.8459 -34.8459 -13.7535 -13.7535 -13.2565 -13.2565 -13.0864 -13.0864 -0.1934 -0.1934 10.5884 10.5884 11.6388 11.6388 11.6479 11.6479 16.5194 16.5194 16.6681 16.6681 16.6727 16.6727 19.2217 19.2217 k = 0.2339 0.1350 0.0955 ( 914 PWs) bands (ev): -34.8430 -34.8430 -13.7670 -13.7670 -13.2645 -13.2645 -13.0879 -13.0879 -0.1427 -0.1427 10.4673 10.4673 11.5734 11.5734 11.5822 11.5822 16.5641 16.5641 16.7249 16.7249 16.7293 16.7293 19.3307 19.3307 k = 0.2419 0.1397 0.0988 ( 908 PWs) bands (ev): -34.8401 -34.8401 -13.7807 -13.7807 -13.2722 -13.2722 -13.0895 -13.0895 -0.0914 -0.0914 10.3477 10.3477 11.5093 11.5093 11.5178 11.5178 16.6106 16.6106 16.7825 16.7825 16.7868 16.7868 19.4392 19.4392 k = 0.2500 0.1443 0.1021 ( 911 PWs) bands (ev): -34.8373 -34.8373 -13.7948 -13.7948 -13.2797 -13.2797 -13.0910 -13.0910 -0.0397 -0.0397 10.2289 10.2289 11.4465 11.4465 11.4547 11.4547 16.6587 16.6587 16.8407 16.8407 16.8450 16.8450 19.5470 19.5470 k = 0.2581 0.1490 0.1054 ( 911 PWs) bands (ev): -34.8344 -34.8344 -13.8091 -13.8091 -13.2869 -13.2869 -13.0926 -13.0926 0.0126 0.0126 10.1117 10.1117 11.3851 11.3851 11.3931 11.3931 16.7084 16.7084 16.8996 16.8996 16.9038 16.9038 19.6544 19.6569 k = 0.2661 0.1536 0.1086 ( 905 PWs) bands (ev): -34.8315 -34.8315 -13.8235 -13.8235 -13.2937 -13.2937 -13.0942 -13.0942 0.0651 0.0651 9.9965 9.9965 11.3252 11.3252 11.3330 11.3330 16.7601 16.7601 16.9589 16.9589 16.9631 16.9631 19.7600 19.7600 k = 0.2742 0.1583 0.1119 ( 905 PWs) bands (ev): -34.8287 -34.8287 -13.8381 -13.8381 -13.3002 -13.3002 -13.0957 -13.0957 0.1178 0.1178 9.8828 9.8828 11.2669 11.2669 11.2745 11.2745 16.8134 16.8134 17.0186 17.0186 17.0228 17.0228 19.8648 19.8648 k = 0.2823 0.1630 0.1152 ( 911 PWs) bands (ev): -34.8258 -34.8258 -13.8528 -13.8528 -13.3065 -13.3065 -13.0973 -13.0973 0.1705 0.1705 9.7709 9.7709 11.2102 11.2102 11.2175 11.2175 16.8685 16.8685 17.0784 17.0784 17.0827 17.0827 19.9682 19.9682 k = 0.2903 0.1676 0.1185 ( 911 PWs) bands (ev): -34.8230 -34.8230 -13.8675 -13.8675 -13.3124 -13.3124 -13.0988 -13.0988 0.2231 0.2231 9.6612 9.6612 11.1552 11.1552 11.1623 11.1623 16.9255 16.9255 17.1384 17.1384 17.1426 17.1426 20.0701 20.0701 k = 0.2984 0.1723 0.1218 ( 911 PWs) bands (ev): -34.8202 -34.8202 -13.8822 -13.8822 -13.3180 -13.3180 -13.1003 -13.1003 0.2755 0.2755 9.5538 9.5538 11.1019 11.1019 11.1088 11.1088 16.9842 16.9842 17.1982 17.1982 17.2025 17.2025 20.1704 20.1704 k = 0.3065 0.1769 0.1251 ( 911 PWs) bands (ev): -34.8175 -34.8175 -13.8967 -13.8967 -13.3233 -13.3233 -13.1018 -13.1018 0.3276 0.3276 9.4487 9.4487 11.0504 11.0504 11.0572 11.0572 17.0447 17.0447 17.2578 17.2578 17.2622 17.2622 20.2687 20.2687 k = 0.3145 0.1816 0.1284 ( 911 PWs) bands (ev): -34.8148 -34.8148 -13.9111 -13.9111 -13.3284 -13.3284 -13.1032 -13.1032 0.3793 0.3793 9.3463 9.3463 11.0007 11.0007 11.0073 11.0073 17.1069 17.1069 17.3170 17.3170 17.3215 17.3215 20.3651 20.3651 k = 0.3226 0.1862 0.1317 ( 914 PWs) bands (ev): -34.8122 -34.8122 -13.9253 -13.9253 -13.3332 -13.3332 -13.1047 -13.1047 0.4303 0.4303 9.2466 9.2466 10.9529 10.9529 10.9593 10.9593 17.1708 17.1708 17.3757 17.3757 17.3802 17.3802 20.4592 20.4592 k = 0.3306 0.1909 0.1350 ( 908 PWs) bands (ev): -34.8096 -34.8096 -13.9393 -13.9393 -13.3376 -13.3376 -13.1060 -13.1060 0.4806 0.4806 9.1498 9.1498 10.9071 10.9071 10.9133 10.9133 17.2362 17.2362 17.4336 17.4336 17.4382 17.4382 20.5510 20.5510 k = 0.3387 0.1956 0.1383 ( 914 PWs) bands (ev): -34.8071 -34.8071 -13.9529 -13.9529 -13.3419 -13.3419 -13.1074 -13.1074 0.5299 0.5299 9.0560 9.0560 10.8631 10.8631 10.8691 10.8691 17.3032 17.3032 17.4905 17.4905 17.4953 17.4953 20.6403 20.6403 k = 0.3468 0.2002 0.1416 ( 911 PWs) bands (ev): -34.8047 -34.8047 -13.9662 -13.9662 -13.3459 -13.3459 -13.1087 -13.1087 0.5782 0.5782 8.9655 8.9655 10.8212 10.8212 10.8271 10.8271 17.3715 17.3715 17.5464 17.5464 17.5513 17.5513 20.7268 20.7268 k = 0.3548 0.2049 0.1449 ( 911 PWs) bands (ev): -34.8024 -34.8024 -13.9791 -13.9791 -13.3496 -13.3496 -13.1099 -13.1099 0.6254 0.6254 8.8782 8.8782 10.7811 10.7811 10.7869 10.7869 17.4410 17.4410 17.6010 17.6010 17.6061 17.6061 20.8105 20.8105 k = 0.3629 0.2095 0.1482 ( 911 PWs) bands (ev): -34.8001 -34.8001 -13.9915 -13.9915 -13.3531 -13.3531 -13.1111 -13.1111 0.6712 0.6712 8.7945 8.7945 10.7431 10.7431 10.7488 10.7488 17.5115 17.5115 17.6541 17.6541 17.6594 17.6594 20.8912 20.8912 k = 0.3710 0.2142 0.1514 ( 911 PWs) bands (ev): -34.7980 -34.7980 -14.0035 -14.0035 -13.3564 -13.3564 -13.1123 -13.1123 0.7155 0.7155 8.7145 8.7145 10.7072 10.7072 10.7127 10.7127 17.5828 17.5828 17.7055 17.7055 17.7111 17.7111 20.9686 20.9686 k = 0.3790 0.2188 0.1547 ( 911 PWs) bands (ev): -34.7959 -34.7959 -14.0149 -14.0149 -13.3594 -13.3594 -13.1134 -13.1134 0.7581 0.7581 8.6382 8.6382 10.6733 10.6733 10.6787 10.6787 17.6546 17.6546 17.7550 17.7550 17.7610 17.7610 21.0426 21.0426 k = 0.3871 0.2235 0.1580 ( 911 PWs) bands (ev): -34.7940 -34.7940 -14.0258 -14.0258 -13.3622 -13.3622 -13.1144 -13.1144 0.7989 0.7989 8.5660 8.5660 10.6415 10.6415 10.6468 10.6468 17.7265 17.7265 17.8025 17.8025 17.8091 17.8091 21.1130 21.1130 k = 0.3952 0.2281 0.1613 ( 911 PWs) bands (ev): -34.7921 -34.7921 -14.0360 -14.0360 -13.3648 -13.3648 -13.1154 -13.1154 0.8378 0.8378 8.4979 8.4979 10.6118 10.6118 10.6170 10.6170 17.7978 17.7978 17.8478 17.8478 17.8554 17.8554 21.1796 21.1796 k = 0.4032 0.2328 0.1646 ( 911 PWs) bands (ev): -34.7904 -34.7904 -14.0457 -14.0457 -13.3672 -13.3672 -13.1163 -13.1163 0.8745 0.8745 8.4341 8.4341 10.5842 10.5842 10.5893 10.5893 17.8669 17.8669 17.8905 17.8905 17.9009 17.9009 21.2422 21.2422 k = 0.4113 0.2375 0.1679 ( 911 PWs) bands (ev): -34.7888 -34.7888 -14.0547 -14.0547 -13.3694 -13.3694 -13.1172 -13.1172 0.9090 0.9090 8.3747 8.3747 10.5588 10.5588 10.5638 10.5638 17.9263 17.9263 17.9307 17.9307 17.9526 17.9526 21.2962 21.2962 k = 0.4194 0.2421 0.1712 ( 899 PWs) bands (ev): -34.7873 -34.7873 -14.0629 -14.0629 -13.3713 -13.3713 -13.1179 -13.1179 0.9411 0.9411 8.3200 8.3200 10.5359 10.5359 10.5408 10.5408 17.9681 17.9681 17.9695 17.9695 18.0161 18.0161 21.2312 21.2312 k = 0.4274 0.2468 0.1745 ( 905 PWs) bands (ev): -34.7860 -34.7860 -14.0705 -14.0705 -13.3731 -13.3731 -13.1186 -13.1186 0.9705 0.9705 8.2698 8.2698 10.5148 10.5148 10.5196 10.5196 18.0024 18.0024 18.0055 18.0055 18.0816 18.0816 21.1643 21.1643 k = 0.4355 0.2514 0.1778 ( 899 PWs) bands (ev): -34.7848 -34.7848 -14.0773 -14.0773 -13.3747 -13.3747 -13.1192 -13.1192 0.9973 0.9973 8.2248 8.2248 10.4960 10.4960 10.5008 10.5008 18.0337 18.0337 18.0374 18.0374 18.1450 18.1450 21.0995 21.0995 k = 0.4435 0.2561 0.1811 ( 899 PWs) bands (ev): -34.7837 -34.7837 -14.0834 -14.0834 -13.3761 -13.3761 -13.1198 -13.1198 1.0213 1.0213 8.1846 8.1846 10.4793 10.4793 10.4840 10.4840 18.0616 18.0616 18.0658 18.0658 18.2048 18.2048 21.0376 21.0376 k = 0.4516 0.2607 0.1844 ( 899 PWs) bands (ev): -34.7828 -34.7828 -14.0887 -14.0887 -13.3773 -13.3773 -13.1203 -13.1203 1.0423 1.0423 8.1495 8.1495 10.4648 10.4648 10.4695 10.4695 18.0861 18.0861 18.0906 18.0906 18.2600 18.2600 20.9801 20.9801 k = 0.4597 0.2654 0.1877 ( 899 PWs) bands (ev): -34.7819 -34.7819 -14.0932 -14.0932 -13.3783 -13.3783 -13.1207 -13.1207 1.0603 1.0603 8.1196 8.1196 10.4526 10.4526 10.4572 10.4572 18.1071 18.1071 18.1118 18.1118 18.3093 18.3093 20.9283 20.9283 k = 0.4677 0.2701 0.1910 ( 899 PWs) bands (ev): -34.7813 -34.7813 -14.0969 -14.0969 -13.3792 -13.3792 -13.1211 -13.1211 1.0751 1.0751 8.0951 8.0951 10.4425 10.4425 10.4471 10.4471 18.1244 18.1244 18.1292 18.1292 18.3517 18.3517 20.8836 20.8836 k = 0.4758 0.2747 0.1942 ( 899 PWs) bands (ev): -34.7808 -34.7808 -14.0998 -14.0998 -13.3798 -13.3798 -13.1214 -13.1214 1.0867 1.0867 8.0759 8.0759 10.4347 10.4347 10.4393 10.4393 18.1379 18.1379 18.1429 18.1429 18.3862 18.3862 20.8472 20.8472 k = 0.4839 0.2794 0.1975 ( 899 PWs) bands (ev): -34.7804 -34.7804 -14.1019 -14.1019 -13.3803 -13.3803 -13.1216 -13.1216 1.0951 1.0951 8.0621 8.0621 10.4291 10.4291 10.4337 10.4337 18.1476 18.1476 18.1527 18.1527 18.4116 18.4116 20.8202 20.8202 k = 0.4919 0.2840 0.2008 ( 908 PWs) bands (ev): -34.7802 -34.7802 -14.1032 -14.1032 -13.3806 -13.3806 -13.1218 -13.1218 1.1001 1.1001 8.0538 8.0538 10.4254 10.4254 10.4299 10.4299 18.1535 18.1535 18.1586 18.1586 18.4272 18.4272 20.8036 20.8036 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -34.7801 -34.7801 -14.1037 -14.1037 -13.3807 -13.3807 -13.1218 -13.1218 1.1017 1.1017 8.0508 8.0508 10.4243 10.4243 10.4288 10.4288 18.1555 18.1555 18.1606 18.1606 18.4325 18.4325 20.7979 20.7979 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -34.7801 -34.7801 -14.1037 -14.1037 -13.3807 -13.3807 -13.1218 -13.1218 1.1017 1.1017 8.0508 8.0508 10.4243 10.4243 10.4288 10.4288 18.1555 18.1555 18.1606 18.1606 18.4325 18.4325 20.7979 20.7979 k = 0.5028 0.2805 0.2088 ( 907 PWs) bands (ev): -34.7801 -34.7801 -14.1035 -14.1035 -13.3809 -13.3809 -13.1220 -13.1220 1.1011 1.1011 8.0524 8.0524 10.4248 10.4248 10.4294 10.4294 18.1533 18.1533 18.1594 18.1594 18.4316 18.4316 20.8003 20.8003 k = 0.5057 0.2723 0.2134 ( 905 PWs) bands (ev): -34.7800 -34.7800 -14.1030 -14.1030 -13.3814 -13.3814 -13.1227 -13.1227 1.0992 1.0992 8.0571 8.0571 10.4258 10.4258 10.4308 10.4308 18.1442 18.1442 18.1585 18.1585 18.4290 18.4290 20.8071 20.8071 k = 0.5085 0.2641 0.2180 ( 904 PWs) bands (ev): -34.7798 -34.7798 -14.1021 -14.1021 -13.3822 -13.3822 -13.1239 -13.1239 1.0961 1.0961 8.0649 8.0649 10.4269 10.4269 10.4334 10.4334 18.1279 18.1279 18.1582 18.1582 18.4248 18.4248 20.8175 20.8175 k = 0.5114 0.2559 0.2227 ( 904 PWs) bands (ev): -34.7796 -34.7796 -14.1008 -14.1008 -13.3835 -13.3835 -13.1255 -13.1255 1.0917 1.0917 8.0757 8.0757 10.4280 10.4280 10.4374 10.4374 18.1052 18.1052 18.1582 18.1582 18.4192 18.4192 20.8300 20.8300 k = 0.5142 0.2477 0.2273 ( 902 PWs) bands (ev): -34.7793 -34.7793 -14.0992 -14.0992 -13.3850 -13.3850 -13.1276 -13.1276 1.0862 1.0862 8.0898 8.0898 10.4291 10.4291 10.4429 10.4429 18.0767 18.0767 18.1582 18.1582 18.4124 18.4124 20.8431 20.8431 k = 0.5170 0.2395 0.2320 ( 902 PWs) bands (ev): -34.7789 -34.7789 -14.0973 -14.0973 -13.3870 -13.3870 -13.1301 -13.1301 1.0794 1.0794 8.1067 8.1067 10.4303 10.4303 10.4496 10.4496 18.0427 18.0427 18.1583 18.1583 18.4045 18.4045 20.8548 20.8548 k = 0.5199 0.2313 0.2366 ( 902 PWs) bands (ev): -34.7784 -34.7784 -14.0951 -14.0951 -13.3892 -13.3892 -13.1331 -13.1331 1.0715 1.0715 8.1267 8.1267 10.4316 10.4316 10.4576 10.4576 18.0040 18.0040 18.1584 18.1584 18.3957 18.3957 20.8633 20.8633 k = 0.5227 0.2231 0.2412 ( 904 PWs) bands (ev): -34.7779 -34.7779 -14.0925 -14.0925 -13.3918 -13.3918 -13.1365 -13.1365 1.0625 1.0625 8.1496 8.1496 10.4330 10.4330 10.4667 10.4667 17.9609 17.9609 18.1587 18.1587 18.3863 18.3863 20.8669 20.8669 k = 0.5256 0.2149 0.2459 ( 908 PWs) bands (ev): -34.7774 -34.7774 -14.0897 -14.0897 -13.3948 -13.3948 -13.1402 -13.1402 1.0523 1.0523 8.1753 8.1753 10.4343 10.4343 10.4771 10.4771 17.9141 17.9141 18.1591 18.1591 18.3763 18.3763 20.8648 20.8648 k = 0.5284 0.2067 0.2505 ( 906 PWs) bands (ev): -34.7767 -34.7767 -14.0865 -14.0865 -13.3981 -13.3981 -13.1443 -13.1443 1.0411 1.0411 8.2039 8.2039 10.4358 10.4358 10.4886 10.4886 17.8640 17.8640 18.1597 18.1597 18.3660 18.3660 20.8565 20.8565 k = 0.5312 0.1985 0.2552 ( 906 PWs) bands (ev): -34.7761 -34.7761 -14.0831 -14.0831 -13.4017 -13.4017 -13.1487 -13.1487 1.0290 1.0290 8.2353 8.2353 10.4373 10.4373 10.5013 10.5013 17.8111 17.8111 18.1605 18.1605 18.3556 18.3556 20.8420 20.8420 k = 0.5341 0.1903 0.2598 ( 906 PWs) bands (ev): -34.7753 -34.7753 -14.0794 -14.0794 -13.4056 -13.4056 -13.1534 -13.1534 1.0158 1.0158 8.2694 8.2694 10.4388 10.4388 10.5150 10.5150 17.7557 17.7557 18.1615 18.1615 18.3451 18.3451 20.8215 20.8215 k = 0.5369 0.1821 0.2644 ( 906 PWs) bands (ev): -34.7745 -34.7745 -14.0754 -14.0754 -13.4098 -13.4098 -13.1585 -13.1585 1.0018 1.0018 8.3061 8.3061 10.4401 10.4401 10.5298 10.5298 17.6983 17.6983 18.1628 18.1628 18.3348 18.3348 20.7956 20.7956 k = 0.5398 0.1739 0.2691 ( 914 PWs) bands (ev): -34.7737 -34.7737 -14.0712 -14.0712 -13.4144 -13.4144 -13.1637 -13.1637 0.9868 0.9868 8.3452 8.3452 10.4413 10.4413 10.5454 10.5454 17.6390 17.6390 18.1645 18.1645 18.3250 18.3250 20.7650 20.7650 k = 0.5426 0.1657 0.2737 ( 914 PWs) bands (ev): -34.7728 -34.7728 -14.0668 -14.0668 -13.4192 -13.4192 -13.1692 -13.1692 0.9712 0.9712 8.3869 8.3869 10.4424 10.4424 10.5623 10.5623 17.5782 17.5782 18.1665 18.1665 18.3157 18.3157 20.7302 20.7302 k = 0.5455 0.1575 0.2784 ( 914 PWs) bands (ev): -34.7719 -34.7719 -14.0622 -14.0622 -13.4242 -13.4242 -13.1749 -13.1749 0.9548 0.9548 8.4309 8.4309 10.4433 10.4433 10.5801 10.5801 17.5159 17.5159 18.1689 18.1689 18.3072 18.3072 20.6918 20.6918 k = 0.5483 0.1493 0.2830 ( 912 PWs) bands (ev): -34.7710 -34.7710 -14.0573 -14.0573 -13.4295 -13.4295 -13.1807 -13.1807 0.9378 0.9378 8.4772 8.4772 10.4441 10.4441 10.5988 10.5988 17.4524 17.4524 18.1718 18.1718 18.2996 18.2996 20.6504 20.6504 k = 0.5511 0.1411 0.2876 ( 912 PWs) bands (ev): -34.7700 -34.7700 -14.0524 -14.0524 -13.4351 -13.4351 -13.1866 -13.1866 0.9201 0.9201 8.5256 8.5256 10.4445 10.4445 10.6184 10.6184 17.3876 17.3876 18.1751 18.1751 18.2932 18.2932 20.6064 20.6064 k = 0.5540 0.1329 0.2923 ( 910 PWs) bands (ev): -34.7689 -34.7689 -14.0472 -14.0472 -13.4408 -13.4408 -13.1926 -13.1926 0.9020 0.9020 8.5762 8.5762 10.4445 10.4445 10.6389 10.6389 17.3218 17.3218 18.1790 18.1790 18.2881 18.2881 20.5603 20.5603 k = 0.5568 0.1247 0.2969 ( 910 PWs) bands (ev): -34.7679 -34.7679 -14.0420 -14.0420 -13.4468 -13.4468 -13.1987 -13.1987 0.8833 0.8833 8.6286 8.6286 10.4442 10.4442 10.6601 10.6601 17.2550 17.2550 18.1835 18.1835 18.2845 18.2845 20.5126 20.5126 k = 0.5597 0.1165 0.3015 ( 912 PWs) bands (ev): -34.7668 -34.7668 -14.0368 -14.0368 -13.4529 -13.4529 -13.2048 -13.2048 0.8642 0.8642 8.6828 8.6828 10.4433 10.4433 10.6821 10.6821 17.1872 17.1872 18.1887 18.1887 18.2824 18.2824 20.4636 20.4636 k = 0.5625 0.1083 0.3062 ( 917 PWs) bands (ev): -34.7657 -34.7657 -14.0315 -14.0315 -13.4592 -13.4592 -13.2110 -13.2110 0.8447 0.8447 8.7387 8.7387 10.4420 10.4420 10.7048 10.7048 17.1185 17.1185 18.1945 18.1945 18.2820 18.2820 20.4138 20.4138 k = 0.5653 0.1001 0.3108 ( 916 PWs) bands (ev): -34.7646 -34.7646 -14.0262 -14.0262 -13.4654 -13.4654 -13.2171 -13.2171 0.8250 0.8250 8.7962 8.7962 10.4404 10.4404 10.7282 10.7282 17.0490 17.0490 18.2009 18.2009 18.2834 18.2834 20.3634 20.3634 k = 0.5682 0.0919 0.3155 ( 916 PWs) bands (ev): -34.7635 -34.7635 -14.0208 -14.0208 -13.4718 -13.4718 -13.2231 -13.2231 0.8050 0.8050 8.8552 8.8552 10.4382 10.4382 10.7523 10.7523 16.9787 16.9787 18.2082 18.2082 18.2866 18.2866 20.3130 20.3130 k = 0.5710 0.0837 0.3201 ( 916 PWs) bands (ev): -34.7624 -34.7624 -14.0156 -14.0156 -13.4781 -13.4781 -13.2291 -13.2291 0.7848 0.7848 8.9154 8.9154 10.4355 10.4355 10.7769 10.7769 16.9076 16.9076 18.2162 18.2162 18.2916 18.2916 20.2628 20.2628 k = 0.5739 0.0754 0.3247 ( 912 PWs) bands (ev): -34.7613 -34.7613 -14.0104 -14.0104 -13.4843 -13.4843 -13.2349 -13.2349 0.7646 0.7646 8.9769 8.9769 10.4323 10.4323 10.8023 10.8023 16.8359 16.8359 18.2250 18.2250 18.2985 18.2985 20.2131 20.2131 k = 0.5767 0.0672 0.3294 ( 911 PWs) bands (ev): -34.7602 -34.7602 -14.0054 -14.0054 -13.4905 -13.4905 -13.2407 -13.2407 0.7444 0.7444 9.0394 9.0394 10.4285 10.4285 10.8280 10.8280 16.7635 16.7635 18.2346 18.2346 18.3072 18.3072 20.1643 20.1643 k = 0.5795 0.0590 0.3340 ( 911 PWs) bands (ev): -34.7591 -34.7591 -14.0006 -14.0006 -13.4965 -13.4965 -13.2463 -13.2463 0.7242 0.7242 9.1028 9.1028 10.4240 10.4240 10.8541 10.8541 16.6905 16.6905 18.2450 18.2450 18.3177 18.3177 20.1167 20.1167 k = 0.5824 0.0508 0.3387 ( 915 PWs) bands (ev): -34.7580 -34.7580 -13.9960 -13.9960 -13.5023 -13.5023 -13.2519 -13.2519 0.7040 0.7040 9.1670 9.1670 10.4188 10.4188 10.8805 10.8805 16.6170 16.6170 18.2563 18.2563 18.3298 18.3298 20.0706 20.0706 k = 0.5852 0.0426 0.3433 ( 915 PWs) bands (ev): -34.7569 -34.7569 -13.9916 -13.9916 -13.5078 -13.5078 -13.2572 -13.2572 0.6840 0.6840 9.2318 9.2318 10.4129 10.4129 10.9075 10.9075 16.5431 16.5431 18.2684 18.2684 18.3435 18.3435 20.0264 20.0264 k = 0.5881 0.0344 0.3479 ( 915 PWs) bands (ev): -34.7559 -34.7559 -13.9875 -13.9875 -13.5131 -13.5131 -13.2623 -13.2623 0.6642 0.6642 9.2972 9.2972 10.4064 10.4064 10.9348 10.9348 16.4689 16.4689 18.2814 18.2814 18.3587 18.3587 19.9843 19.9843 k = 0.5909 0.0262 0.3526 ( 907 PWs) bands (ev): -34.7549 -34.7549 -13.9836 -13.9836 -13.5179 -13.5179 -13.2672 -13.2672 0.6446 0.6446 9.3631 9.3631 10.3994 10.3994 10.9624 10.9624 16.3945 16.3945 18.2951 18.2951 18.3751 18.3751 19.9446 19.9446 k = 0.5938 0.0180 0.3572 ( 907 PWs) bands (ev): -34.7539 -34.7539 -13.9802 -13.9802 -13.5224 -13.5224 -13.2719 -13.2719 0.6252 0.6252 9.4291 9.4291 10.3914 10.3914 10.9903 10.9903 16.3198 16.3198 18.3097 18.3097 18.3927 18.3927 19.9077 19.9077 k = 0.5966 0.0098 0.3619 ( 907 PWs) bands (ev): -34.7530 -34.7530 -13.9771 -13.9771 -13.5264 -13.5264 -13.2765 -13.2765 0.6062 0.6062 9.4952 9.4952 10.3827 10.3827 11.0184 11.0184 16.2451 16.2451 18.3250 18.3250 18.4111 18.4111 19.8737 19.8737 k = 0.5994 0.0016 0.3665 ( 905 PWs) bands (ev): -34.7521 -34.7521 -13.9744 -13.9744 -13.5299 -13.5299 -13.2807 -13.2807 0.5875 0.5875 9.5613 9.5613 10.3732 10.3732 11.0466 11.0466 16.1705 16.1705 18.3411 18.3411 18.4303 18.4303 19.8430 19.8430 k = 0.6023-0.0066 0.3711 ( 909 PWs) bands (ev): -34.7513 -34.7513 -13.9722 -13.9722 -13.5330 -13.5330 -13.2848 -13.2848 0.5691 0.5691 9.6273 9.6273 10.3629 10.3629 11.0750 11.0750 16.0959 16.0959 18.3579 18.3579 18.4499 18.4499 19.8157 19.8157 k = 0.6051-0.0148 0.3758 ( 909 PWs) bands (ev): -34.7505 -34.7505 -13.9703 -13.9703 -13.5355 -13.5355 -13.2886 -13.2886 0.5512 0.5512 9.6931 9.6931 10.3518 10.3518 11.1035 11.1035 16.0216 16.0216 18.3753 18.3753 18.4698 18.4698 19.7922 19.7922 k = 0.6080-0.0230 0.3804 ( 907 PWs) bands (ev): -34.7497 -34.7497 -13.9689 -13.9689 -13.5374 -13.5374 -13.2921 -13.2921 0.5338 0.5338 9.7585 9.7585 10.3400 10.3400 11.1321 11.1321 15.9477 15.9477 18.3934 18.3934 18.4898 18.4898 19.7725 19.7725 k = 0.6108-0.0312 0.3851 ( 909 PWs) bands (ev): -34.7491 -34.7491 -13.9678 -13.9678 -13.5388 -13.5388 -13.2954 -13.2954 0.5167 0.5167 9.8234 9.8234 10.3275 10.3275 11.1607 11.1607 15.8741 15.8741 18.4119 18.4119 18.5096 18.5096 19.7568 19.7568 k = 0.6136-0.0394 0.3897 ( 909 PWs) bands (ev): -34.7485 -34.7485 -13.9671 -13.9671 -13.5396 -13.5396 -13.2984 -13.2984 0.5003 0.5003 9.8876 9.8876 10.3142 10.3142 11.1894 11.1894 15.8010 15.8010 18.4310 18.4310 18.5291 18.5291 19.7452 19.7452 k = 0.6165-0.0476 0.3943 ( 911 PWs) bands (ev): -34.7479 -34.7479 -13.9668 -13.9668 -13.5399 -13.5399 -13.3011 -13.3011 0.4843 0.4843 9.9509 9.9509 10.3005 10.3005 11.2181 11.2181 15.7286 15.7286 18.4504 18.4504 18.5482 18.5482 19.7376 19.7376 k = 0.6193-0.0558 0.3990 ( 909 PWs) bands (ev): -34.7475 -34.7475 -13.9668 -13.9668 -13.5396 -13.5396 -13.3035 -13.3035 0.4689 0.4689 10.0129 10.0129 10.2866 10.2866 11.2468 11.2468 15.6568 15.6568 18.4701 18.4701 18.5667 18.5667 19.7340 19.7340 k = 0.6222-0.0640 0.4036 ( 903 PWs) bands (ev): -34.7471 -34.7471 -13.9671 -13.9671 -13.5387 -13.5387 -13.3055 -13.3055 0.4542 0.4542 10.0727 10.0727 10.2735 10.2735 11.2756 11.2756 15.5858 15.5858 18.4901 18.4901 18.5846 18.5846 19.7343 19.7343 k = 0.6250-0.0722 0.4082 ( 902 PWs) bands (ev): -34.7468 -34.7468 -13.9676 -13.9676 -13.5375 -13.5375 -13.3073 -13.3073 0.4399 0.4399 10.1271 10.1271 10.2640 10.2640 11.3042 11.3042 15.5156 15.5156 18.5101 18.5101 18.6018 18.6018 19.7382 19.7382 k = 0.6250-0.0722 0.4082 ( 902 PWs) bands (ev): -34.7468 -34.7468 -13.9676 -13.9676 -13.5375 -13.5375 -13.3073 -13.3073 0.4399 0.4399 10.1271 10.1271 10.2640 10.2640 11.3042 11.3042 15.5156 15.5156 18.5101 18.5101 18.6018 18.6018 19.7382 19.7382 k = 0.6202-0.0694 0.4161 ( 908 PWs) bands (ev): -34.7468 -34.7468 -13.9676 -13.9676 -13.5374 -13.5374 -13.3077 -13.3077 0.4399 0.4399 10.1276 10.1276 10.2643 10.2643 11.3021 11.3021 15.5187 15.5187 18.4951 18.4951 18.6148 18.6148 19.7348 19.7348 k = 0.6154-0.0666 0.4240 ( 912 PWs) bands (ev): -34.7468 -34.7468 -13.9675 -13.9675 -13.5371 -13.5371 -13.3085 -13.3085 0.4401 0.4401 10.1295 10.1295 10.2652 10.2652 11.2961 11.2961 15.5281 15.5281 18.4623 18.4623 18.6414 18.6414 19.7248 19.7248 k = 0.6106-0.0638 0.4318 ( 912 PWs) bands (ev): -34.7467 -34.7467 -13.9672 -13.9672 -13.5366 -13.5366 -13.3096 -13.3096 0.4407 0.4407 10.1326 10.1326 10.2667 10.2667 11.2862 11.2862 15.5436 15.5436 18.4225 18.4225 18.6708 18.6708 19.7096 19.7096 k = 0.6058-0.0611 0.4397 ( 912 PWs) bands (ev): -34.7466 -34.7466 -13.9668 -13.9668 -13.5359 -13.5359 -13.3113 -13.3113 0.4414 0.4414 10.1370 10.1370 10.2688 10.2688 11.2724 11.2724 15.5651 15.5651 18.3789 18.3789 18.7000 18.7000 19.6902 19.6902 k = 0.6010-0.0583 0.4475 ( 908 PWs) bands (ev): -34.7465 -34.7465 -13.9664 -13.9664 -13.5350 -13.5350 -13.3134 -13.3134 0.4424 0.4424 10.1427 10.1427 10.2715 10.2715 11.2552 11.2552 15.5925 15.5925 18.3325 18.3325 18.7279 18.7279 19.6681 19.6681 k = 0.5962-0.0555 0.4554 ( 908 PWs) bands (ev): -34.7464 -34.7464 -13.9658 -13.9658 -13.5339 -13.5339 -13.3159 -13.3159 0.4435 0.4435 10.1495 10.1495 10.2749 10.2749 11.2344 11.2344 15.6254 15.6254 18.2836 18.2836 18.7543 18.7543 19.6439 19.6439 k = 0.5913-0.0527 0.4632 ( 910 PWs) bands (ev): -34.7463 -34.7463 -13.9652 -13.9652 -13.5327 -13.5327 -13.3188 -13.3188 0.4448 0.4448 10.1575 10.1575 10.2787 10.2787 11.2105 11.2105 15.6636 15.6636 18.2325 18.2325 18.7791 18.7791 19.6185 19.6185 k = 0.5865-0.0500 0.4711 ( 906 PWs) bands (ev): -34.7462 -34.7462 -13.9645 -13.9645 -13.5312 -13.5312 -13.3221 -13.3221 0.4462 0.4462 10.1666 10.1666 10.2833 10.2833 11.1836 11.1836 15.7068 15.7068 18.1794 18.1794 18.8020 18.8020 19.5925 19.5925 k = 0.5817-0.0472 0.4789 ( 906 PWs) bands (ev): -34.7460 -34.7460 -13.9637 -13.9637 -13.5296 -13.5296 -13.3257 -13.3257 0.4478 0.4478 10.1768 10.1768 10.2885 10.2885 11.1540 11.1540 15.7546 15.7546 18.1242 18.1242 18.8233 18.8233 19.5664 19.5664 k = 0.5769-0.0444 0.4868 ( 907 PWs) bands (ev): -34.7459 -34.7459 -13.9629 -13.9629 -13.5279 -13.5279 -13.3297 -13.3297 0.4495 0.4495 10.1881 10.1881 10.2943 10.2943 11.1220 11.1220 15.8068 15.8068 18.0671 18.0671 18.8429 18.8429 19.5404 19.5404 k = 0.5721-0.0416 0.4946 ( 909 PWs) bands (ev): -34.7457 -34.7457 -13.9620 -13.9620 -13.5261 -13.5261 -13.3339 -13.3339 0.4512 0.4512 10.2003 10.2003 10.3008 10.3008 11.0879 11.0879 15.8628 15.8628 18.0082 18.0082 18.8608 18.8608 19.5150 19.5150 k = 0.5673-0.0389 0.5025 ( 907 PWs) bands (ev): -34.7455 -34.7455 -13.9611 -13.9611 -13.5241 -13.5241 -13.3383 -13.3383 0.4531 0.4531 10.2135 10.2135 10.3080 10.3080 11.0520 11.0520 15.9225 15.9225 17.9475 17.9475 18.8770 18.8770 19.4905 19.4905 k = 0.5625-0.0361 0.5103 ( 907 PWs) bands (ev): -34.7453 -34.7453 -13.9601 -13.9601 -13.5221 -13.5221 -13.3429 -13.3429 0.4550 0.4550 10.2276 10.2276 10.3158 10.3158 11.0145 11.0145 15.9853 15.9853 17.8851 17.8851 18.8917 18.8917 19.4671 19.4671 k = 0.5577-0.0333 0.5182 ( 907 PWs) bands (ev): -34.7451 -34.7451 -13.9592 -13.9592 -13.5200 -13.5200 -13.3476 -13.3476 0.4569 0.4569 10.2425 10.2425 10.3243 10.3243 10.9757 10.9757 16.0511 16.0511 17.8210 17.8210 18.9049 18.9049 19.4451 19.4451 k = 0.5529-0.0305 0.5260 ( 911 PWs) bands (ev): -34.7450 -34.7450 -13.9582 -13.9582 -13.5178 -13.5178 -13.3524 -13.3524 0.4589 0.4589 10.2582 10.2582 10.3334 10.3334 10.9358 10.9358 16.1193 16.1193 17.7555 17.7555 18.9167 18.9167 19.4246 19.4246 k = 0.5481-0.0278 0.5339 ( 911 PWs) bands (ev): -34.7448 -34.7448 -13.9573 -13.9573 -13.5157 -13.5157 -13.3571 -13.3571 0.4608 0.4608 10.2746 10.2746 10.3433 10.3433 10.8951 10.8951 16.1898 16.1898 17.6884 17.6884 18.9271 18.9271 19.4060 19.4060 k = 0.5433-0.0250 0.5417 ( 910 PWs) bands (ev): -34.7446 -34.7446 -13.9563 -13.9563 -13.5136 -13.5136 -13.3617 -13.3617 0.4627 0.4627 10.2918 10.2918 10.3539 10.3539 10.8539 10.8539 16.2621 16.2621 17.6200 17.6200 18.9362 18.9362 19.3892 19.3892 k = 0.5385-0.0222 0.5496 ( 910 PWs) bands (ev): -34.7444 -34.7444 -13.9554 -13.9554 -13.5115 -13.5115 -13.3661 -13.3661 0.4645 0.4645 10.3096 10.3096 10.3653 10.3653 10.8121 10.8121 16.3360 16.3360 17.5502 17.5502 18.9441 18.9441 19.3744 19.3744 k = 0.5337-0.0194 0.5574 ( 910 PWs) bands (ev): -34.7442 -34.7442 -13.9546 -13.9546 -13.5096 -13.5096 -13.3703 -13.3703 0.4661 0.4661 10.3279 10.3279 10.3775 10.3775 10.7700 10.7700 16.4112 16.4112 17.4792 17.4792 18.9508 18.9508 19.3616 19.3616 k = 0.5288-0.0167 0.5653 ( 910 PWs) bands (ev): -34.7441 -34.7441 -13.9539 -13.9539 -13.5079 -13.5079 -13.3741 -13.3741 0.4676 0.4676 10.3467 10.3467 10.3904 10.3904 10.7279 10.7279 16.4874 16.4874 17.4070 17.4070 18.9564 18.9564 19.3510 19.3510 k = 0.5240-0.0139 0.5731 ( 910 PWs) bands (ev): -34.7439 -34.7439 -13.9532 -13.9532 -13.5063 -13.5063 -13.3775 -13.3775 0.4690 0.4690 10.3660 10.3660 10.4042 10.4042 10.6858 10.6858 16.5644 16.5644 17.3337 17.3337 18.9609 18.9609 19.3424 19.3424 k = 0.5192-0.0111 0.5810 ( 910 PWs) bands (ev): -34.7438 -34.7438 -13.9526 -13.9526 -13.5050 -13.5050 -13.3804 -13.3804 0.4701 0.4701 10.3858 10.3858 10.4188 10.4188 10.6439 10.6439 16.6419 16.6419 17.2594 17.2594 18.9645 18.9645 19.3358 19.3358 k = 0.5144-0.0083 0.5888 ( 906 PWs) bands (ev): -34.7437 -34.7437 -13.9521 -13.9521 -13.5039 -13.5039 -13.3827 -13.3827 0.4712 0.4712 10.4059 10.4059 10.4343 10.4343 10.6023 10.6023 16.7198 16.7198 17.1843 17.1843 18.9673 18.9673 19.3311 19.3311 k = 0.5096-0.0056 0.5967 ( 898 PWs) bands (ev): -34.7436 -34.7436 -13.9517 -13.9517 -13.5031 -13.5031 -13.3843 -13.3843 0.4720 0.4720 10.4263 10.4263 10.4504 10.4504 10.5616 10.5616 16.7978 16.7978 17.1083 17.1083 18.9691 18.9691 19.3280 19.3280 k = 0.5048-0.0028 0.6045 ( 892 PWs) bands (ev): -34.7436 -34.7436 -13.9514 -13.9514 -13.5026 -13.5026 -13.3853 -13.3853 0.4724 0.4724 10.4470 10.4470 10.4662 10.4662 10.5226 10.5226 16.8758 16.8758 17.0316 17.0316 18.9702 18.9702 19.3264 19.3264 k = 0.5000-0.0000 0.6124 ( 892 PWs) bands (ev): -34.7436 -34.7436 -13.9514 -13.9514 -13.5025 -13.5025 -13.3856 -13.3856 0.4726 0.4726 10.4655 10.4655 10.4709 10.4709 10.4985 10.4985 16.9477 16.9477 16.9601 16.9601 18.9706 18.9706 19.3260 19.3260 k = 0.5000-0.0000 0.6124 ( 892 PWs) bands (ev): -34.7436 -34.7436 -13.9514 -13.9514 -13.5025 -13.5025 -13.3856 -13.3856 0.4726 0.4726 10.4655 10.4655 10.4709 10.4709 10.4985 10.4985 16.9477 16.9477 16.9601 16.9601 18.9706 18.9706 19.3260 19.3260 k = 0.5000 0.0057 0.6044 ( 892 PWs) bands (ev): -34.7436 -34.7436 -13.9514 -13.9514 -13.5028 -13.5028 -13.3851 -13.3851 0.4732 0.4732 10.4291 10.4291 10.4803 10.4803 10.5230 10.5230 16.9483 16.9483 16.9606 16.9606 18.9699 18.9699 19.3278 19.3278 k = 0.5000 0.0113 0.5964 ( 900 PWs) bands (ev): -34.7437 -34.7437 -13.9516 -13.9516 -13.5036 -13.5036 -13.3837 -13.3837 0.4748 0.4748 10.3832 10.3832 10.4812 10.4812 10.5603 10.5603 16.9497 16.9497 16.9625 16.9625 18.9678 18.9678 19.3331 19.3331 k = 0.5000 0.0170 0.5884 ( 904 PWs) bands (ev): -34.7439 -34.7439 -13.9519 -13.9519 -13.5048 -13.5048 -13.3813 -13.3813 0.4776 0.4776 10.3344 10.3344 10.4814 10.4814 10.5965 10.5965 16.9517 16.9517 16.9660 16.9660 18.9643 18.9643 19.3420 19.3420 k = 0.5000 0.0226 0.5804 ( 904 PWs) bands (ev): -34.7441 -34.7441 -13.9522 -13.9522 -13.5063 -13.5063 -13.3780 -13.3780 0.4815 0.4815 10.2832 10.2832 10.4816 10.4816 10.6304 10.6304 16.9539 16.9539 16.9716 16.9716 18.9594 18.9594 19.3544 19.3544 k = 0.5000 0.0283 0.5723 ( 904 PWs) bands (ev): -34.7444 -34.7444 -13.9526 -13.9526 -13.5080 -13.5080 -13.3740 -13.3740 0.4866 0.4866 10.2299 10.2299 10.4816 10.4816 10.6615 10.6615 16.9562 16.9562 16.9795 16.9795 18.9531 18.9531 19.3702 19.3702 k = 0.5000 0.0340 0.5643 ( 906 PWs) bands (ev): -34.7448 -34.7448 -13.9532 -13.9532 -13.5098 -13.5098 -13.3693 -13.3693 0.4928 0.4928 10.1747 10.1747 10.4817 10.4817 10.6899 10.6899 16.9587 16.9587 16.9897 16.9897 18.9454 18.9454 19.3894 19.3894 k = 0.5000 0.0396 0.5563 ( 904 PWs) bands (ev): -34.7452 -34.7452 -13.9540 -13.9540 -13.5116 -13.5116 -13.3641 -13.3641 0.5001 0.5001 10.1178 10.1178 10.4817 10.4817 10.7153 10.7153 16.9617 16.9617 17.0020 17.0020 18.9363 18.9363 19.4118 19.4118 k = 0.5000 0.0453 0.5483 ( 904 PWs) bands (ev): -34.7457 -34.7457 -13.9549 -13.9549 -13.5132 -13.5132 -13.3585 -13.3585 0.5084 0.5084 10.0594 10.0594 10.4817 10.4817 10.7379 10.7379 16.9652 16.9652 17.0165 17.0165 18.9259 18.9259 19.4374 19.4374 k = 0.5000 0.0509 0.5403 ( 904 PWs) bands (ev): -34.7463 -34.7463 -13.9560 -13.9560 -13.5147 -13.5147 -13.3525 -13.3525 0.5178 0.5178 9.9995 9.9995 10.4817 10.4817 10.7575 10.7575 16.9694 16.9694 17.0332 17.0332 18.9142 18.9142 19.4660 19.4660 k = 0.5000 0.0566 0.5323 ( 904 PWs) bands (ev): -34.7469 -34.7469 -13.9573 -13.9573 -13.5158 -13.5158 -13.3463 -13.3463 0.5281 0.5281 9.9383 9.9383 10.4817 10.4817 10.7742 10.7742 16.9744 16.9744 17.0520 17.0520 18.9012 18.9012 19.4974 19.4974 k = 0.5000 0.0623 0.5243 ( 906 PWs) bands (ev): -34.7476 -34.7476 -13.9589 -13.9589 -13.5166 -13.5166 -13.3397 -13.3397 0.5394 0.5394 9.8760 9.8760 10.4815 10.4815 10.7880 10.7880 16.9804 16.9804 17.0730 17.0730 18.8870 18.8870 19.5316 19.5316 k = 0.5000 0.0679 0.5163 ( 906 PWs) bands (ev): -34.7484 -34.7484 -13.9608 -13.9608 -13.5170 -13.5170 -13.3330 -13.3330 0.5516 0.5516 9.8128 9.8128 10.4813 10.4813 10.7990 10.7990 16.9874 16.9874 17.0961 17.0961 18.8716 18.8716 19.5683 19.5683 k = 0.5000 0.0736 0.5083 ( 906 PWs) bands (ev): -34.7491 -34.7491 -13.9630 -13.9630 -13.5169 -13.5169 -13.3262 -13.3262 0.5647 0.5647 9.7487 9.7487 10.4811 10.4811 10.8073 10.8073 16.9956 16.9956 17.1213 17.1213 18.8551 18.8551 19.6074 19.6074 k = 0.5000 0.0792 0.5003 ( 908 PWs) bands (ev): -34.7500 -34.7500 -13.9654 -13.9654 -13.5164 -13.5164 -13.3192 -13.3192 0.5785 0.5785 9.6840 9.6840 10.4807 10.4807 10.8129 10.8129 17.0050 17.0050 17.1486 17.1486 18.8377 18.8377 19.6488 19.6488 k = 0.5000 0.0849 0.4923 ( 906 PWs) bands (ev): -34.7509 -34.7509 -13.9681 -13.9681 -13.5152 -13.5152 -13.3121 -13.3121 0.5932 0.5932 9.6188 9.6188 10.4803 10.4803 10.8160 10.8160 17.0158 17.0158 17.1780 17.1780 18.8193 18.8193 19.6922 19.6922 k = 0.5000 0.0906 0.4843 ( 906 PWs) bands (ev): -34.7518 -34.7518 -13.9712 -13.9712 -13.5136 -13.5136 -13.3050 -13.3050 0.6086 0.6086 9.5533 9.5533 10.4799 10.4799 10.8167 10.8167 17.0282 17.0282 17.2093 17.2093 18.8001 18.8001 19.7375 19.7375 k = 0.5000 0.0962 0.4763 ( 902 PWs) bands (ev): -34.7527 -34.7527 -13.9745 -13.9745 -13.5115 -13.5115 -13.2978 -13.2978 0.6248 0.6248 9.4875 9.4875 10.4793 10.4793 10.8151 10.8151 17.0420 17.0420 17.2424 17.2424 18.7802 18.7802 19.7846 19.7846 k = 0.5000 0.1019 0.4683 ( 906 PWs) bands (ev): -34.7537 -34.7537 -13.9782 -13.9782 -13.5089 -13.5089 -13.2907 -13.2907 0.6415 0.6415 9.4217 9.4217 10.4786 10.4786 10.8112 10.8112 17.0576 17.0576 17.2773 17.2773 18.7597 18.7597 19.8332 19.8332 k = 0.5000 0.1075 0.4603 ( 906 PWs) bands (ev): -34.7548 -34.7548 -13.9821 -13.9821 -13.5058 -13.5058 -13.2835 -13.2835 0.6588 0.6588 9.3560 9.3560 10.4778 10.4778 10.8053 10.8053 17.0748 17.0748 17.3138 17.3138 18.7387 18.7387 19.8831 19.8831 k = 0.5000 0.1132 0.4523 ( 912 PWs) bands (ev): -34.7558 -34.7558 -13.9864 -13.9864 -13.5022 -13.5022 -13.2763 -13.2763 0.6766 0.6766 9.2903 9.2903 10.4768 10.4768 10.7975 10.7975 17.0939 17.0939 17.3518 17.3518 18.7173 18.7173 19.9342 19.9342 k = 0.5000 0.1189 0.4443 ( 910 PWs) bands (ev): -34.7569 -34.7569 -13.9908 -13.9908 -13.4982 -13.4982 -13.2691 -13.2691 0.6949 0.6949 9.2251 9.2251 10.4758 10.4758 10.7881 10.7881 17.1148 17.1148 17.3912 17.3912 18.6956 18.6956 19.9862 19.9862 k = 0.5000 0.1245 0.4363 ( 908 PWs) bands (ev): -34.7580 -34.7580 -13.9954 -13.9954 -13.4938 -13.4938 -13.2619 -13.2619 0.7134 0.7134 9.1605 9.1605 10.4746 10.4746 10.7773 10.7773 17.1377 17.1377 17.4317 17.4317 18.6737 18.6737 20.0391 20.0391 k = 0.5000 0.1302 0.4283 ( 908 PWs) bands (ev): -34.7591 -34.7591 -14.0003 -14.0003 -13.4891 -13.4891 -13.2548 -13.2548 0.7323 0.7323 9.0965 9.0965 10.4733 10.4733 10.7651 10.7651 17.1624 17.1624 17.4732 17.4732 18.6517 18.6517 20.0925 20.0925 k = 0.5000 0.1358 0.4203 ( 908 PWs) bands (ev): -34.7602 -34.7602 -14.0053 -14.0053 -13.4841 -13.4841 -13.2477 -13.2477 0.7514 0.7514 9.0333 9.0333 10.4719 10.4719 10.7516 10.7516 17.1892 17.1892 17.5155 17.5155 18.6298 18.6298 20.1463 20.1463 k = 0.5000 0.1415 0.4123 ( 912 PWs) bands (ev): -34.7613 -34.7613 -14.0105 -14.0105 -13.4789 -13.4789 -13.2407 -13.2407 0.7707 0.7707 8.9711 8.9711 10.4702 10.4702 10.7372 10.7372 17.2179 17.2179 17.5584 17.5584 18.6080 18.6080 20.2002 20.2002 k = 0.5000 0.1472 0.4042 ( 912 PWs) bands (ev): -34.7624 -34.7624 -14.0158 -14.0158 -13.4735 -13.4735 -13.2336 -13.2336 0.7902 0.7902 8.9099 8.9099 10.4687 10.4687 10.7218 10.7218 17.2486 17.2486 17.6016 17.6016 18.5865 18.5865 20.2541 20.2541 k = 0.5000 0.1528 0.3962 ( 908 PWs) bands (ev): -34.7636 -34.7636 -14.0210 -14.0210 -13.4678 -13.4678 -13.2267 -13.2267 0.8096 0.8096 8.8500 8.8500 10.4669 10.4669 10.7059 10.7059 17.2813 17.2813 17.6451 17.6451 18.5654 18.5654 20.3077 20.3077 k = 0.5000 0.1585 0.3882 ( 908 PWs) bands (ev): -34.7647 -34.7647 -14.0264 -14.0264 -13.4622 -13.4622 -13.2198 -13.2198 0.8289 0.8289 8.7913 8.7913 10.4651 10.4651 10.6894 10.6894 17.3159 17.3159 17.6884 17.6884 18.5447 18.5447 20.3609 20.3609 k = 0.5000 0.1641 0.3802 ( 908 PWs) bands (ev): -34.7658 -34.7658 -14.0317 -14.0317 -13.4564 -13.4564 -13.2130 -13.2130 0.8480 0.8480 8.7341 8.7341 10.4631 10.4631 10.6726 10.6726 17.3524 17.3524 17.7315 17.7315 18.5246 18.5246 20.4132 20.4132 k = 0.5000 0.1698 0.3722 ( 908 PWs) bands (ev): -34.7669 -34.7669 -14.0371 -14.0371 -13.4507 -13.4507 -13.2064 -13.2064 0.8670 0.8670 8.6785 8.6785 10.4610 10.4610 10.6555 10.6555 17.3907 17.3907 17.7740 17.7740 18.5052 18.5052 20.4645 20.4645 k = 0.5000 0.1755 0.3642 ( 910 PWs) bands (ev): -34.7680 -34.7680 -14.0424 -14.0424 -13.4451 -13.4451 -13.1998 -13.1998 0.8856 0.8856 8.6246 8.6246 10.4587 10.4587 10.6382 10.6382 17.4307 17.4307 17.8157 17.8157 18.4867 18.4867 20.5144 20.5144 k = 0.5000 0.1811 0.3562 ( 908 PWs) bands (ev): -34.7690 -34.7690 -14.0475 -14.0475 -13.4394 -13.4394 -13.1933 -13.1933 0.9040 0.9040 8.5725 8.5725 10.4565 10.4565 10.6211 10.6211 17.4723 17.4723 17.8563 17.8563 18.4691 18.4691 20.5628 20.5628 k = 0.5000 0.1868 0.3482 ( 910 PWs) bands (ev): -34.7700 -34.7700 -14.0527 -14.0527 -13.4340 -13.4340 -13.1870 -13.1870 0.9219 0.9219 8.5223 8.5223 10.4542 10.4542 10.6041 10.6041 17.5154 17.5154 17.8955 17.8955 18.4526 18.4526 20.6092 20.6092 k = 0.5000 0.1925 0.3402 ( 912 PWs) bands (ev): -34.7710 -34.7710 -14.0576 -14.0576 -13.4287 -13.4287 -13.1809 -13.1809 0.9393 0.9393 8.4742 8.4742 10.4519 10.4519 10.5873 10.5873 17.5597 17.5597 17.9331 17.9331 18.4375 18.4375 20.6532 20.6532 k = 0.5000 0.1981 0.3322 ( 912 PWs) bands (ev): -34.7720 -34.7720 -14.0624 -14.0624 -13.4235 -13.4235 -13.1750 -13.1750 0.9561 0.9561 8.4282 8.4282 10.4496 10.4496 10.5710 10.5710 17.6052 17.6052 17.9688 17.9688 18.4238 18.4238 20.6945 20.6945 k = 0.5000 0.2038 0.3242 ( 912 PWs) bands (ev): -34.7729 -34.7729 -14.0670 -14.0670 -13.4186 -13.4186 -13.1692 -13.1692 0.9723 0.9723 8.3844 8.3844 10.4473 10.4473 10.5552 10.5552 17.6515 17.6515 18.0021 18.0021 18.4118 18.4118 20.7327 20.7327 k = 0.5000 0.2094 0.3162 ( 912 PWs) bands (ev): -34.7738 -34.7738 -14.0715 -14.0715 -13.4139 -13.4139 -13.1637 -13.1637 0.9878 0.9878 8.3430 8.3430 10.4451 10.4451 10.5400 10.5400 17.6984 17.6984 18.0327 18.0327 18.4018 18.4018 20.7671 20.7671 k = 0.5000 0.2151 0.3082 ( 914 PWs) bands (ev): -34.7746 -34.7746 -14.0757 -14.0757 -13.4095 -13.4095 -13.1584 -13.1584 1.0025 1.0025 8.3041 8.3041 10.4429 10.4429 10.5255 10.5255 17.7456 17.7456 18.0602 18.0602 18.3940 18.3940 20.7974 20.7974 k = 0.5000 0.2208 0.3002 ( 914 PWs) bands (ev): -34.7754 -34.7754 -14.0796 -14.0796 -13.4054 -13.4054 -13.1534 -13.1534 1.0164 1.0164 8.2676 8.2676 10.4407 10.4407 10.5117 10.5117 17.7928 17.7928 18.0843 18.0843 18.3887 18.3887 20.8228 20.8228 k = 0.5000 0.2264 0.2922 ( 908 PWs) bands (ev): -34.7761 -34.7761 -14.0833 -14.0833 -13.4015 -13.4015 -13.1486 -13.1486 1.0295 1.0295 8.2339 8.2339 10.4388 10.4388 10.4989 10.4989 17.8394 17.8394 18.1046 18.1046 18.3860 18.3860 20.8429 20.8429 k = 0.5000 0.2321 0.2842 ( 908 PWs) bands (ev): -34.7768 -34.7768 -14.0867 -14.0867 -13.3979 -13.3979 -13.1442 -13.1442 1.0416 1.0416 8.2027 8.2027 10.4369 10.4369 10.4869 10.4869 17.8851 17.8851 18.1211 18.1211 18.3860 18.3860 20.8571 20.8571 k = 0.5000 0.2377 0.2762 ( 904 PWs) bands (ev): -34.7774 -34.7774 -14.0898 -14.0898 -13.3947 -13.3947 -13.1401 -13.1401 1.0527 1.0527 8.1743 8.1743 10.4352 10.4352 10.4758 10.4758 17.9293 17.9293 18.1338 18.1338 18.3886 18.3886 20.8651 20.8651 k = 0.5000 0.2434 0.2682 ( 904 PWs) bands (ev): -34.7779 -34.7779 -14.0926 -14.0926 -13.3917 -13.3917 -13.1363 -13.1363 1.0628 1.0628 8.1488 8.1488 10.4335 10.4335 10.4658 10.4658 17.9714 17.9714 18.1430 18.1430 18.3932 18.3932 20.8669 20.8669 k = 0.5000 0.2491 0.2602 ( 902 PWs) bands (ev): -34.7784 -34.7784 -14.0952 -14.0952 -13.3891 -13.3891 -13.1330 -13.1330 1.0718 1.0718 8.1260 8.1260 10.4320 10.4320 10.4569 10.4569 18.0108 18.0108 18.1494 18.1494 18.3993 18.3993 20.8631 20.8631 k = 0.5000 0.2547 0.2522 ( 902 PWs) bands (ev): -34.7789 -34.7789 -14.0974 -14.0974 -13.3869 -13.3869 -13.1301 -13.1301 1.0796 1.0796 8.1063 8.1063 10.4306 10.4306 10.4492 10.4492 18.0469 18.0469 18.1535 18.1535 18.4061 18.4061 20.8546 20.8546 k = 0.5000 0.2604 0.2441 ( 902 PWs) bands (ev): -34.7793 -34.7793 -14.0993 -14.0993 -13.3850 -13.3850 -13.1275 -13.1275 1.0863 1.0863 8.0894 8.0894 10.4293 10.4293 10.4426 10.4426 18.0790 18.0790 18.1559 18.1559 18.4130 18.4130 20.8429 20.8429 k = 0.5000 0.2660 0.2361 ( 902 PWs) bands (ev): -34.7796 -34.7796 -14.1008 -14.1008 -13.3834 -13.3834 -13.1255 -13.1255 1.0918 1.0918 8.0756 8.0756 10.4281 10.4281 10.4373 10.4373 18.1064 18.1064 18.1572 18.1572 18.4195 18.4195 20.8298 20.8298 k = 0.5000 0.2717 0.2281 ( 902 PWs) bands (ev): -34.7798 -34.7798 -14.1021 -14.1021 -13.3822 -13.3822 -13.1238 -13.1238 1.0961 1.0961 8.0648 8.0648 10.4270 10.4270 10.4333 10.4333 18.1283 18.1283 18.1579 18.1579 18.4249 18.4249 20.8173 20.8173 k = 0.5000 0.2774 0.2201 ( 904 PWs) bands (ev): -34.7800 -34.7800 -14.1030 -14.1030 -13.3814 -13.3814 -13.1227 -13.1227 1.0992 1.0992 8.0570 8.0570 10.4259 10.4259 10.4308 10.4308 18.1443 18.1443 18.1584 18.1584 18.4290 18.4290 20.8070 20.8070 k = 0.5000 0.2830 0.2121 ( 908 PWs) bands (ev): -34.7801 -34.7801 -14.1035 -14.1035 -13.3809 -13.3809 -13.1220 -13.1220 1.1011 1.1011 8.0524 8.0524 10.4248 10.4248 10.4294 10.4294 18.1533 18.1533 18.1594 18.1594 18.4316 18.4316 20.8003 20.8003 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -34.7801 -34.7801 -14.1037 -14.1037 -13.3807 -13.3807 -13.1218 -13.1218 1.1017 1.1017 8.0508 8.0508 10.4243 10.4243 10.4288 10.4288 18.1555 18.1555 18.1606 18.1606 18.4325 18.4325 20.7979 20.7979 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -34.7801 -34.7801 -14.1037 -14.1037 -13.3807 -13.3807 -13.1218 -13.1218 1.1017 1.1017 8.0508 8.0508 10.4243 10.4243 10.4288 10.4288 18.1555 18.1555 18.1606 18.1606 18.4325 18.4325 20.7979 20.7979 k = 0.4972 0.2870 0.2134 ( 907 PWs) bands (ev): -34.7801 -34.7801 -14.1035 -14.1035 -13.3809 -13.3809 -13.1220 -13.1220 1.1011 1.1011 8.0524 8.0524 10.4248 10.4248 10.4294 10.4294 18.1533 18.1533 18.1594 18.1594 18.4316 18.4316 20.8003 20.8003 k = 0.4943 0.2854 0.2227 ( 905 PWs) bands (ev): -34.7800 -34.7800 -14.1030 -14.1030 -13.3814 -13.3814 -13.1227 -13.1227 1.0992 1.0992 8.0571 8.0571 10.4258 10.4258 10.4308 10.4308 18.1442 18.1442 18.1585 18.1585 18.4290 18.4290 20.8071 20.8071 k = 0.4915 0.2838 0.2320 ( 904 PWs) bands (ev): -34.7798 -34.7798 -14.1021 -14.1021 -13.3822 -13.3822 -13.1239 -13.1239 1.0961 1.0961 8.0649 8.0649 10.4269 10.4269 10.4334 10.4334 18.1279 18.1279 18.1582 18.1582 18.4248 18.4248 20.8175 20.8175 k = 0.4886 0.2821 0.2412 ( 904 PWs) bands (ev): -34.7796 -34.7796 -14.1008 -14.1008 -13.3835 -13.3835 -13.1255 -13.1255 1.0917 1.0917 8.0757 8.0757 10.4280 10.4280 10.4374 10.4374 18.1052 18.1052 18.1582 18.1582 18.4192 18.4192 20.8300 20.8300 k = 0.4858 0.2805 0.2505 ( 902 PWs) bands (ev): -34.7793 -34.7793 -14.0992 -14.0992 -13.3850 -13.3850 -13.1276 -13.1276 1.0862 1.0862 8.0898 8.0898 10.4291 10.4291 10.4429 10.4429 18.0767 18.0767 18.1582 18.1582 18.4124 18.4124 20.8431 20.8431 k = 0.4830 0.2788 0.2598 ( 902 PWs) bands (ev): -34.7789 -34.7789 -14.0973 -14.0973 -13.3870 -13.3870 -13.1301 -13.1301 1.0794 1.0794 8.1067 8.1067 10.4303 10.4303 10.4496 10.4496 18.0427 18.0427 18.1583 18.1583 18.4045 18.4045 20.8548 20.8548 k = 0.4801 0.2772 0.2691 ( 902 PWs) bands (ev): -34.7784 -34.7784 -14.0951 -14.0951 -13.3892 -13.3892 -13.1331 -13.1331 1.0715 1.0715 8.1267 8.1267 10.4316 10.4316 10.4576 10.4576 18.0040 18.0040 18.1584 18.1584 18.3957 18.3957 20.8633 20.8633 k = 0.4773 0.2756 0.2784 ( 904 PWs) bands (ev): -34.7779 -34.7779 -14.0925 -14.0925 -13.3918 -13.3918 -13.1365 -13.1365 1.0625 1.0625 8.1496 8.1496 10.4330 10.4330 10.4667 10.4667 17.9609 17.9609 18.1587 18.1587 18.3863 18.3863 20.8669 20.8669 k = 0.4744 0.2739 0.2876 ( 908 PWs) bands (ev): -34.7774 -34.7774 -14.0897 -14.0897 -13.3948 -13.3948 -13.1402 -13.1402 1.0523 1.0523 8.1753 8.1753 10.4343 10.4343 10.4771 10.4771 17.9141 17.9141 18.1591 18.1591 18.3763 18.3763 20.8648 20.8648 k = 0.4716 0.2723 0.2969 ( 906 PWs) bands (ev): -34.7767 -34.7767 -14.0865 -14.0865 -13.3981 -13.3981 -13.1443 -13.1443 1.0411 1.0411 8.2039 8.2039 10.4358 10.4358 10.4886 10.4886 17.8640 17.8640 18.1597 18.1597 18.3660 18.3660 20.8565 20.8565 k = 0.4688 0.2706 0.3062 ( 906 PWs) bands (ev): -34.7761 -34.7761 -14.0831 -14.0831 -13.4017 -13.4017 -13.1487 -13.1487 1.0290 1.0290 8.2353 8.2353 10.4373 10.4373 10.5013 10.5013 17.8111 17.8111 18.1605 18.1605 18.3556 18.3556 20.8420 20.8420 k = 0.4659 0.2690 0.3155 ( 906 PWs) bands (ev): -34.7753 -34.7753 -14.0794 -14.0794 -13.4056 -13.4056 -13.1534 -13.1534 1.0158 1.0158 8.2694 8.2694 10.4388 10.4388 10.5150 10.5150 17.7557 17.7557 18.1615 18.1615 18.3451 18.3451 20.8215 20.8215 k = 0.4631 0.2674 0.3247 ( 906 PWs) bands (ev): -34.7745 -34.7745 -14.0754 -14.0754 -13.4098 -13.4098 -13.1585 -13.1585 1.0018 1.0018 8.3061 8.3061 10.4401 10.4401 10.5298 10.5298 17.6983 17.6983 18.1628 18.1628 18.3348 18.3348 20.7956 20.7956 k = 0.4602 0.2657 0.3340 ( 914 PWs) bands (ev): -34.7737 -34.7737 -14.0712 -14.0712 -13.4144 -13.4144 -13.1637 -13.1637 0.9868 0.9868 8.3452 8.3452 10.4413 10.4413 10.5454 10.5454 17.6390 17.6390 18.1645 18.1645 18.3250 18.3250 20.7650 20.7650 k = 0.4574 0.2641 0.3433 ( 914 PWs) bands (ev): -34.7728 -34.7728 -14.0668 -14.0668 -13.4192 -13.4192 -13.1692 -13.1692 0.9712 0.9712 8.3869 8.3869 10.4424 10.4424 10.5623 10.5623 17.5782 17.5782 18.1665 18.1665 18.3157 18.3157 20.7302 20.7302 k = 0.4545 0.2624 0.3526 ( 914 PWs) bands (ev): -34.7719 -34.7719 -14.0622 -14.0622 -13.4242 -13.4242 -13.1749 -13.1749 0.9548 0.9548 8.4309 8.4309 10.4433 10.4433 10.5801 10.5801 17.5159 17.5159 18.1689 18.1689 18.3072 18.3072 20.6918 20.6918 k = 0.4517 0.2608 0.3619 ( 912 PWs) bands (ev): -34.7710 -34.7710 -14.0573 -14.0573 -13.4295 -13.4295 -13.1807 -13.1807 0.9378 0.9378 8.4772 8.4772 10.4441 10.4441 10.5988 10.5988 17.4524 17.4524 18.1718 18.1718 18.2996 18.2996 20.6504 20.6504 k = 0.4489 0.2592 0.3711 ( 912 PWs) bands (ev): -34.7700 -34.7700 -14.0524 -14.0524 -13.4351 -13.4351 -13.1866 -13.1866 0.9201 0.9201 8.5256 8.5256 10.4445 10.4445 10.6184 10.6184 17.3876 17.3876 18.1751 18.1751 18.2932 18.2932 20.6064 20.6064 k = 0.4460 0.2575 0.3804 ( 910 PWs) bands (ev): -34.7689 -34.7689 -14.0472 -14.0472 -13.4408 -13.4408 -13.1926 -13.1926 0.9020 0.9020 8.5762 8.5762 10.4445 10.4445 10.6389 10.6389 17.3218 17.3218 18.1790 18.1790 18.2881 18.2881 20.5603 20.5603 k = 0.4432 0.2559 0.3897 ( 910 PWs) bands (ev): -34.7679 -34.7679 -14.0420 -14.0420 -13.4468 -13.4468 -13.1987 -13.1987 0.8833 0.8833 8.6286 8.6286 10.4442 10.4442 10.6601 10.6601 17.2550 17.2550 18.1835 18.1835 18.2845 18.2845 20.5126 20.5126 k = 0.4403 0.2542 0.3990 ( 912 PWs) bands (ev): -34.7668 -34.7668 -14.0368 -14.0368 -13.4529 -13.4529 -13.2048 -13.2048 0.8642 0.8642 8.6828 8.6828 10.4433 10.4433 10.6821 10.6821 17.1872 17.1872 18.1887 18.1887 18.2824 18.2824 20.4636 20.4636 k = 0.4375 0.2526 0.4082 ( 917 PWs) bands (ev): -34.7657 -34.7657 -14.0315 -14.0315 -13.4592 -13.4592 -13.2110 -13.2110 0.8447 0.8447 8.7387 8.7387 10.4420 10.4420 10.7048 10.7048 17.1185 17.1185 18.1945 18.1945 18.2820 18.2820 20.4138 20.4138 k = 0.4347 0.2510 0.4175 ( 916 PWs) bands (ev): -34.7646 -34.7646 -14.0262 -14.0262 -13.4654 -13.4654 -13.2171 -13.2171 0.8250 0.8250 8.7962 8.7962 10.4404 10.4404 10.7282 10.7282 17.0490 17.0490 18.2009 18.2009 18.2834 18.2834 20.3634 20.3634 k = 0.4318 0.2493 0.4268 ( 916 PWs) bands (ev): -34.7635 -34.7635 -14.0208 -14.0208 -13.4718 -13.4718 -13.2231 -13.2231 0.8050 0.8050 8.8552 8.8552 10.4382 10.4382 10.7523 10.7523 16.9787 16.9787 18.2082 18.2082 18.2866 18.2866 20.3130 20.3130 k = 0.4290 0.2477 0.4361 ( 916 PWs) bands (ev): -34.7624 -34.7624 -14.0156 -14.0156 -13.4781 -13.4781 -13.2291 -13.2291 0.7848 0.7848 8.9154 8.9154 10.4355 10.4355 10.7769 10.7769 16.9076 16.9076 18.2162 18.2162 18.2916 18.2916 20.2628 20.2628 k = 0.4261 0.2460 0.4454 ( 912 PWs) bands (ev): -34.7613 -34.7613 -14.0104 -14.0104 -13.4843 -13.4843 -13.2349 -13.2349 0.7646 0.7646 8.9769 8.9769 10.4323 10.4323 10.8023 10.8023 16.8359 16.8359 18.2250 18.2250 18.2985 18.2985 20.2131 20.2131 k = 0.4233 0.2444 0.4546 ( 911 PWs) bands (ev): -34.7602 -34.7602 -14.0054 -14.0054 -13.4905 -13.4905 -13.2407 -13.2407 0.7444 0.7444 9.0394 9.0394 10.4285 10.4285 10.8280 10.8280 16.7635 16.7635 18.2346 18.2346 18.3072 18.3072 20.1643 20.1643 k = 0.4205 0.2427 0.4639 ( 911 PWs) bands (ev): -34.7591 -34.7591 -14.0006 -14.0006 -13.4965 -13.4965 -13.2463 -13.2463 0.7242 0.7242 9.1028 9.1028 10.4240 10.4240 10.8541 10.8541 16.6905 16.6905 18.2450 18.2450 18.3177 18.3177 20.1167 20.1167 k = 0.4176 0.2411 0.4732 ( 915 PWs) bands (ev): -34.7580 -34.7580 -13.9960 -13.9960 -13.5023 -13.5023 -13.2519 -13.2519 0.7040 0.7040 9.1670 9.1670 10.4188 10.4188 10.8805 10.8805 16.6170 16.6170 18.2563 18.2563 18.3298 18.3298 20.0706 20.0706 k = 0.4148 0.2395 0.4825 ( 915 PWs) bands (ev): -34.7569 -34.7569 -13.9916 -13.9916 -13.5078 -13.5078 -13.2572 -13.2572 0.6840 0.6840 9.2318 9.2318 10.4129 10.4129 10.9075 10.9075 16.5431 16.5431 18.2684 18.2684 18.3435 18.3435 20.0264 20.0264 k = 0.4119 0.2378 0.4918 ( 915 PWs) bands (ev): -34.7559 -34.7559 -13.9875 -13.9875 -13.5131 -13.5131 -13.2623 -13.2623 0.6642 0.6642 9.2972 9.2972 10.4064 10.4064 10.9348 10.9348 16.4689 16.4689 18.2814 18.2814 18.3587 18.3587 19.9843 19.9843 k = 0.4091 0.2362 0.5010 ( 907 PWs) bands (ev): -34.7549 -34.7549 -13.9836 -13.9836 -13.5179 -13.5179 -13.2672 -13.2672 0.6446 0.6446 9.3631 9.3631 10.3994 10.3994 10.9624 10.9624 16.3945 16.3945 18.2951 18.2951 18.3751 18.3751 19.9446 19.9446 k = 0.4062 0.2345 0.5103 ( 907 PWs) bands (ev): -34.7539 -34.7539 -13.9802 -13.9802 -13.5224 -13.5224 -13.2719 -13.2719 0.6252 0.6252 9.4291 9.4291 10.3914 10.3914 10.9903 10.9903 16.3198 16.3198 18.3097 18.3097 18.3927 18.3927 19.9077 19.9077 k = 0.4034 0.2329 0.5196 ( 907 PWs) bands (ev): -34.7530 -34.7530 -13.9771 -13.9771 -13.5264 -13.5264 -13.2765 -13.2765 0.6062 0.6062 9.4952 9.4952 10.3827 10.3827 11.0184 11.0184 16.2451 16.2451 18.3250 18.3250 18.4111 18.4111 19.8737 19.8737 k = 0.4006 0.2313 0.5289 ( 905 PWs) bands (ev): -34.7521 -34.7521 -13.9744 -13.9744 -13.5299 -13.5299 -13.2807 -13.2807 0.5875 0.5875 9.5613 9.5613 10.3732 10.3732 11.0466 11.0466 16.1705 16.1705 18.3411 18.3411 18.4303 18.4303 19.8430 19.8430 k = 0.3977 0.2296 0.5381 ( 909 PWs) bands (ev): -34.7513 -34.7513 -13.9722 -13.9722 -13.5330 -13.5330 -13.2848 -13.2848 0.5691 0.5691 9.6273 9.6273 10.3629 10.3629 11.0750 11.0750 16.0959 16.0959 18.3579 18.3579 18.4499 18.4499 19.8157 19.8157 k = 0.3949 0.2280 0.5474 ( 909 PWs) bands (ev): -34.7505 -34.7505 -13.9703 -13.9703 -13.5355 -13.5355 -13.2886 -13.2886 0.5512 0.5512 9.6931 9.6931 10.3518 10.3518 11.1035 11.1035 16.0216 16.0216 18.3753 18.3753 18.4698 18.4698 19.7922 19.7922 k = 0.3920 0.2263 0.5567 ( 907 PWs) bands (ev): -34.7497 -34.7497 -13.9689 -13.9689 -13.5374 -13.5374 -13.2921 -13.2921 0.5338 0.5338 9.7585 9.7585 10.3400 10.3400 11.1321 11.1321 15.9477 15.9477 18.3934 18.3934 18.4898 18.4898 19.7725 19.7725 k = 0.3892 0.2247 0.5660 ( 909 PWs) bands (ev): -34.7491 -34.7491 -13.9678 -13.9678 -13.5388 -13.5388 -13.2954 -13.2954 0.5167 0.5167 9.8234 9.8234 10.3275 10.3275 11.1607 11.1607 15.8741 15.8741 18.4119 18.4119 18.5096 18.5096 19.7568 19.7568 k = 0.3864 0.2231 0.5753 ( 909 PWs) bands (ev): -34.7485 -34.7485 -13.9671 -13.9671 -13.5396 -13.5396 -13.2984 -13.2984 0.5003 0.5003 9.8876 9.8876 10.3142 10.3142 11.1894 11.1894 15.8010 15.8010 18.4310 18.4310 18.5291 18.5291 19.7452 19.7452 k = 0.3835 0.2214 0.5845 ( 911 PWs) bands (ev): -34.7479 -34.7479 -13.9668 -13.9668 -13.5399 -13.5399 -13.3011 -13.3011 0.4843 0.4843 9.9509 9.9509 10.3005 10.3005 11.2181 11.2181 15.7286 15.7286 18.4504 18.4504 18.5482 18.5482 19.7376 19.7376 k = 0.3807 0.2198 0.5938 ( 909 PWs) bands (ev): -34.7475 -34.7475 -13.9668 -13.9668 -13.5396 -13.5396 -13.3035 -13.3035 0.4689 0.4689 10.0129 10.0129 10.2866 10.2866 11.2468 11.2468 15.6568 15.6568 18.4701 18.4701 18.5667 18.5667 19.7340 19.7340 k = 0.3778 0.2181 0.6031 ( 903 PWs) bands (ev): -34.7471 -34.7471 -13.9671 -13.9671 -13.5387 -13.5387 -13.3055 -13.3055 0.4542 0.4542 10.0727 10.0727 10.2735 10.2735 11.2756 11.2756 15.5858 15.5858 18.4901 18.4901 18.5846 18.5846 19.7343 19.7343 k = 0.3750 0.2165 0.6124 ( 902 PWs) bands (ev): -34.7468 -34.7468 -13.9676 -13.9676 -13.5375 -13.5375 -13.3073 -13.3073 0.4399 0.4399 10.1271 10.1271 10.2640 10.2640 11.3042 11.3042 15.5156 15.5156 18.5101 18.5101 18.6018 18.6018 19.7382 19.7382 k = 0.6250-0.0722 0.4082 ( 902 PWs) bands (ev): -34.7468 -34.7468 -13.9676 -13.9676 -13.5375 -13.5375 -13.3073 -13.3073 0.4399 0.4399 10.1271 10.1271 10.2640 10.2640 11.3042 11.3042 15.5156 15.5156 18.5101 18.5101 18.6018 18.6018 19.7382 19.7382 k = 0.6202-0.0805 0.4082 ( 908 PWs) bands (ev): -34.7464 -34.7464 -13.9688 -13.9688 -13.5349 -13.5349 -13.3100 -13.3100 0.4159 0.4159 10.2105 10.2105 10.2565 10.2565 11.3530 11.3530 15.3980 15.3980 18.5435 18.5435 18.6298 18.6298 19.7470 19.7470 k = 0.6154-0.0888 0.4082 ( 908 PWs) bands (ev): -34.7460 -34.7460 -13.9702 -13.9702 -13.5320 -13.5320 -13.3124 -13.3124 0.3920 0.3920 10.2426 10.2426 10.3029 10.3029 11.4027 11.4027 15.2815 15.2815 18.5757 18.5757 18.6568 18.6568 19.7542 19.7543 k = 0.6106-0.0972 0.4082 ( 918 PWs) bands (ev): -34.7457 -34.7457 -13.9717 -13.9717 -13.5291 -13.5291 -13.3145 -13.3145 0.3680 0.3680 10.2358 10.2358 10.3904 10.3904 11.4530 11.4530 15.1659 15.1659 18.6068 18.6068 18.6825 18.6825 19.6766 19.6766 k = 0.6058-0.1055 0.4082 ( 922 PWs) bands (ev): -34.7454 -34.7454 -13.9734 -13.9734 -13.5260 -13.5260 -13.3163 -13.3163 0.3442 0.3442 10.2286 10.2286 10.4804 10.4804 11.5038 11.5038 15.0516 15.0516 18.6366 18.6366 18.7072 18.7072 19.5750 19.5750 k = 0.6010-0.1138 0.4082 ( 922 PWs) bands (ev): -34.7451 -34.7451 -13.9751 -13.9751 -13.5228 -13.5228 -13.3177 -13.3177 0.3208 0.3208 10.2218 10.2218 10.5720 10.5720 11.5550 11.5550 14.9386 14.9386 18.6652 18.6652 18.7307 18.7307 19.4745 19.4745 k = 0.5962-0.1221 0.4082 ( 922 PWs) bands (ev): -34.7449 -34.7449 -13.9769 -13.9769 -13.5196 -13.5196 -13.3188 -13.3188 0.2977 0.2977 10.2154 10.2154 10.6647 10.6647 11.6063 11.6063 14.8269 14.8269 18.6926 18.6926 18.7531 18.7531 19.3754 19.3754 k = 0.5913-0.1305 0.4082 ( 922 PWs) bands (ev): -34.7447 -34.7447 -13.9788 -13.9788 -13.5165 -13.5165 -13.3195 -13.3195 0.2750 0.2750 10.2096 10.2096 10.7584 10.7584 11.6574 11.6574 14.7166 14.7166 18.7186 18.7186 18.7744 18.7744 19.2780 19.2780 k = 0.5865-0.1388 0.4082 ( 918 PWs) bands (ev): -34.7446 -34.7446 -13.9807 -13.9807 -13.5135 -13.5135 -13.3198 -13.3198 0.2530 0.2530 10.2043 10.2043 10.8530 10.8530 11.7084 11.7084 14.6078 14.6078 18.7434 18.7434 18.7946 18.7946 19.1827 19.1827 k = 0.5817-0.1471 0.4082 ( 918 PWs) bands (ev): -34.7445 -34.7445 -13.9826 -13.9826 -13.5106 -13.5106 -13.3199 -13.3199 0.2316 0.2316 10.1994 10.1994 10.9480 10.9480 11.7588 11.7588 14.5003 14.5003 18.7669 18.7669 18.8136 18.8136 19.0898 19.0898 k = 0.5769-0.1554 0.4082 ( 914 PWs) bands (ev): -34.7444 -34.7444 -13.9846 -13.9846 -13.5079 -13.5079 -13.3196 -13.3196 0.2109 0.2109 10.1951 10.1951 11.0435 11.0435 11.8084 11.8084 14.3944 14.3944 18.7891 18.7891 18.8314 18.8314 18.9998 18.9998 k = 0.5721-0.1638 0.4082 ( 914 PWs) bands (ev): -34.7443 -34.7443 -13.9865 -13.9865 -13.5055 -13.5055 -13.3190 -13.3190 0.1911 0.1911 10.1910 10.1910 11.1392 11.1392 11.8570 11.8570 14.2899 14.2899 18.8097 18.8097 18.8474 18.8474 18.9135 18.9135 k = 0.5673-0.1721 0.4082 ( 914 PWs) bands (ev): -34.7442 -34.7442 -13.9885 -13.9885 -13.5032 -13.5032 -13.3182 -13.3182 0.1721 0.1721 10.1874 10.1874 11.2349 11.2349 11.9043 11.9043 14.1870 14.1870 18.8215 18.8215 18.8336 18.8336 18.8670 18.8670 k = 0.5625-0.1804 0.4082 ( 910 PWs) bands (ev): -34.7442 -34.7442 -13.9903 -13.9903 -13.5012 -13.5012 -13.3171 -13.3171 0.1542 0.1542 10.1841 10.1841 11.3305 11.3305 11.9501 11.9501 14.0858 14.0858 18.7468 18.7468 18.8480 18.8480 18.8801 18.8801 k = 0.5577-0.1887 0.4082 ( 918 PWs) bands (ev): -34.7441 -34.7441 -13.9922 -13.9922 -13.4995 -13.4995 -13.3159 -13.3159 0.1373 0.1373 10.1811 10.1811 11.4255 11.4255 11.9940 11.9940 13.9861 13.9861 18.6712 18.6712 18.8646 18.8646 18.8936 18.8936 k = 0.5529-0.1971 0.4082 ( 922 PWs) bands (ev): -34.7441 -34.7441 -13.9940 -13.9940 -13.4980 -13.4980 -13.3145 -13.3145 0.1214 0.1214 10.1785 10.1785 11.5199 11.5199 12.0359 12.0359 13.8882 13.8882 18.5999 18.5999 18.8798 18.8798 18.9061 18.9061 k = 0.5481-0.2054 0.4082 ( 918 PWs) bands (ev): -34.7441 -34.7441 -13.9956 -13.9956 -13.4966 -13.4966 -13.3130 -13.3130 0.1068 0.1068 10.1762 10.1762 11.6133 11.6133 12.0754 12.0754 13.7922 13.7922 18.5332 18.5332 18.8937 18.8937 18.9177 18.9177 k = 0.5433-0.2137 0.4082 ( 918 PWs) bands (ev): -34.7441 -34.7441 -13.9971 -13.9971 -13.4955 -13.4955 -13.3115 -13.3115 0.0934 0.0934 10.1741 10.1741 11.7054 11.7054 12.1122 12.1122 13.6983 13.6983 18.4716 18.4716 18.9062 18.9062 18.9284 18.9284 k = 0.5385-0.2221 0.4082 ( 928 PWs) bands (ev): -34.7441 -34.7441 -13.9985 -13.9985 -13.4946 -13.4946 -13.3100 -13.3100 0.0811 0.0811 10.1722 10.1722 11.7953 11.7953 12.1461 12.1461 13.6068 13.6068 18.4154 18.4154 18.9172 18.9172 18.9380 18.9380 k = 0.5337-0.2304 0.4082 ( 928 PWs) bands (ev): -34.7441 -34.7441 -13.9998 -13.9998 -13.4938 -13.4938 -13.3086 -13.3086 0.0703 0.0703 10.1707 10.1707 11.8830 11.8830 12.1768 12.1768 13.5183 13.5183 18.3650 18.3650 18.9268 18.9268 18.9466 18.9466 k = 0.5288-0.2387 0.4082 ( 928 PWs) bands (ev): -34.7441 -34.7441 -14.0009 -14.0009 -13.4932 -13.4932 -13.3072 -13.3072 0.0608 0.0608 10.1694 10.1694 11.9671 11.9671 12.2041 12.2041 13.4336 13.4336 18.3207 18.3207 18.9351 18.9351 18.9541 18.9541 k = 0.5240-0.2470 0.4082 ( 928 PWs) bands (ev): -34.7441 -34.7441 -14.0018 -14.0018 -13.4927 -13.4927 -13.3060 -13.3060 0.0528 0.0528 10.1683 10.1683 12.0465 12.0465 12.2278 12.2278 13.3539 13.3539 18.2827 18.2827 18.9420 18.9420 18.9606 18.9606 k = 0.5192-0.2554 0.4082 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0026 -14.0026 -13.4923 -13.4923 -13.3050 -13.3050 0.0461 0.0461 10.1674 10.1674 12.1188 12.1188 12.2480 12.2480 13.2806 13.2806 18.2512 18.2512 18.9476 18.9476 18.9659 18.9659 k = 0.5144-0.2637 0.4082 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0033 -14.0033 -13.4921 -13.4921 -13.3041 -13.3041 0.0409 0.0409 10.1667 10.1667 12.1812 12.1812 12.2648 12.2648 13.2168 13.2168 18.2265 18.2265 18.9519 18.9519 18.9701 18.9701 k = 0.5096-0.2720 0.4082 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0037 -14.0037 -13.4919 -13.4919 -13.3035 -13.3035 0.0372 0.0372 10.1662 10.1662 12.2286 12.2286 12.2794 12.2794 13.1661 13.1661 18.2088 18.2088 18.9549 18.9549 18.9731 18.9731 k = 0.5048-0.2803 0.4082 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0040 -14.0040 -13.4917 -13.4917 -13.3031 -13.3031 0.0349 0.0349 10.1659 10.1659 12.2553 12.2553 12.2928 12.2928 13.1328 13.1328 18.1981 18.1981 18.9567 18.9567 18.9750 18.9750 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -34.7441 -34.7441 -14.0041 -14.0041 -13.4917 -13.4917 -13.3030 -13.3030 0.0342 0.0342 10.1658 10.1658 12.2627 12.2627 12.2993 12.2993 13.1211 13.1211 18.1945 18.1945 18.9574 18.9574 18.9756 18.9756 Writing output data file ScN.save init_run : 0.11s CPU 0.25s WALL ( 1 calls) electrons : 42.69s CPU 44.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 42.68s CPU 44.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 472 calls) cegterg : 38.81s CPU 39.75s WALL ( 483 calls) Called by sum_band: Called by *egterg: h_psi : 16.84s CPU 17.56s WALL ( 8200 calls) s_psi : 0.60s CPU 0.63s WALL ( 8200 calls) g_psi : 0.02s CPU 0.04s WALL ( 7245 calls) cdiaghg : 20.67s CPU 20.95s WALL ( 7717 calls) cegterg:over : 1.16s CPU 1.17s WALL ( 7245 calls) cegterg:upda : 0.79s CPU 0.84s WALL ( 7245 calls) cegterg:last : 0.51s CPU 0.47s WALL ( 1435 calls) cdiaghg:chol : 1.12s CPU 1.06s WALL ( 7717 calls) cdiaghg:inve : 0.31s CPU 0.29s WALL ( 7717 calls) cdiaghg:para : 1.42s CPU 1.42s WALL ( 15434 calls) Called by h_psi: h_psi:vloc : 15.27s CPU 16.03s WALL ( 8200 calls) h_psi:vnl : 1.53s CPU 1.50s WALL ( 8200 calls) add_vuspsi : 0.91s CPU 0.80s WALL ( 8200 calls) General routines calbec : 0.61s CPU 0.68s WALL ( 8200 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.21s CPU 14.87s WALL ( 459248 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.18s WALL ( 944 calls) Parallel routines fft_scatter : 7.98s CPU 8.28s WALL ( 459271 calls) PWSCF : 0m50.48s CPU 1m 5.91s WALL This run was terminated on: 20:57:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=