Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:56:54 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: ./HfC.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 13 4 416 183 33 Max 23 14 5 419 194 36 Sum 805 475 151 15009 6735 1243 bravais-lattice index = 14 lattice parameter (alat) = 5.9567 a.u. unit-cell volume = 149.4508 (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 = 48.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.956682 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 Hf 12.00 178.49000 Hf( 1.00) C 4.00 12.01070 C( 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= 467 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0070422 -0.0040658 0.0057500), wk = 0.0021413 k( 3) = ( 0.0140845 -0.0081317 0.0115000), wk = 0.0021413 k( 4) = ( 0.0211268 -0.0121975 0.0172499), wk = 0.0021413 k( 5) = ( 0.0281690 -0.0162634 0.0229999), wk = 0.0021413 k( 6) = ( 0.0352113 -0.0203292 0.0287499), wk = 0.0021413 k( 7) = ( 0.0422535 -0.0243951 0.0344999), wk = 0.0021413 k( 8) = ( 0.0492958 -0.0284609 0.0402498), wk = 0.0021413 k( 9) = ( 0.0563380 -0.0325268 0.0459998), wk = 0.0021413 k( 10) = ( 0.0633803 -0.0365926 0.0517498), wk = 0.0021413 k( 11) = ( 0.0704225 -0.0406585 0.0574998), wk = 0.0021413 k( 12) = ( 0.0774648 -0.0447243 0.0632497), wk = 0.0021413 k( 13) = ( 0.0845070 -0.0487902 0.0689997), wk = 0.0021413 k( 14) = ( 0.0915493 -0.0528560 0.0747497), wk = 0.0021413 k( 15) = ( 0.0985916 -0.0569219 0.0804997), wk = 0.0021413 k( 16) = ( 0.1056338 -0.0609877 0.0862496), wk = 0.0021413 k( 17) = ( 0.1126761 -0.0650536 0.0919996), wk = 0.0021413 k( 18) = ( 0.1197183 -0.0691194 0.0977496), wk = 0.0021413 k( 19) = ( 0.1267606 -0.0731852 0.1034996), wk = 0.0021413 k( 20) = ( 0.1338028 -0.0772511 0.1092495), wk = 0.0021413 k( 21) = ( 0.1408451 -0.0813169 0.1149995), wk = 0.0021413 k( 22) = ( 0.1478873 -0.0853828 0.1207495), wk = 0.0021413 k( 23) = ( 0.1549296 -0.0894486 0.1264995), wk = 0.0021413 k( 24) = ( 0.1619718 -0.0935145 0.1322494), wk = 0.0021413 k( 25) = ( 0.1690141 -0.0975803 0.1379994), wk = 0.0021413 k( 26) = ( 0.1760563 -0.1016462 0.1437494), wk = 0.0021413 k( 27) = ( 0.1830986 -0.1057120 0.1494994), wk = 0.0021413 k( 28) = ( 0.1901409 -0.1097779 0.1552494), wk = 0.0021413 k( 29) = ( 0.1971831 -0.1138437 0.1609993), wk = 0.0021413 k( 30) = ( 0.2042253 -0.1179096 0.1667493), wk = 0.0021413 k( 31) = ( 0.2112676 -0.1219754 0.1724993), wk = 0.0021413 k( 32) = ( 0.2183099 -0.1260413 0.1782493), wk = 0.0021413 k( 33) = ( 0.2253521 -0.1301071 0.1839992), wk = 0.0021413 k( 34) = ( 0.2323944 -0.1341730 0.1897492), wk = 0.0021413 k( 35) = ( 0.2394366 -0.1382388 0.1954992), wk = 0.0021413 k( 36) = ( 0.2464789 -0.1423046 0.2012492), wk = 0.0021413 k( 37) = ( 0.2535211 -0.1463705 0.2069991), wk = 0.0021413 k( 38) = ( 0.2605634 -0.1504363 0.2127491), wk = 0.0021413 k( 39) = ( 0.2676056 -0.1545022 0.2184991), wk = 0.0021413 k( 40) = ( 0.2746479 -0.1585680 0.2242491), wk = 0.0021413 k( 41) = ( 0.2816901 -0.1626339 0.2299990), wk = 0.0021413 k( 42) = ( 0.2887324 -0.1666997 0.2357490), wk = 0.0021413 k( 43) = ( 0.2957746 -0.1707656 0.2414990), wk = 0.0021413 k( 44) = ( 0.3028169 -0.1748314 0.2472490), wk = 0.0021413 k( 45) = ( 0.3098592 -0.1788973 0.2529989), wk = 0.0021413 k( 46) = ( 0.3169014 -0.1829631 0.2587489), wk = 0.0021413 k( 47) = ( 0.3239437 -0.1870290 0.2644989), wk = 0.0021413 k( 48) = ( 0.3309859 -0.1910948 0.2702489), wk = 0.0021413 k( 49) = ( 0.3380282 -0.1951607 0.2759988), wk = 0.0021413 k( 50) = ( 0.3450704 -0.1992265 0.2817488), wk = 0.0021413 k( 51) = ( 0.3521127 -0.2032924 0.2874988), wk = 0.0021413 k( 52) = ( 0.3591549 -0.2073582 0.2932488), wk = 0.0021413 k( 53) = ( 0.3661972 -0.2114240 0.2989987), wk = 0.0021413 k( 54) = ( 0.3732394 -0.2154899 0.3047487), wk = 0.0021413 k( 55) = ( 0.3802817 -0.2195557 0.3104987), wk = 0.0021413 k( 56) = ( 0.3873239 -0.2236216 0.3162487), wk = 0.0021413 k( 57) = ( 0.3943662 -0.2276874 0.3219987), wk = 0.0021413 k( 58) = ( 0.4014085 -0.2317533 0.3277486), wk = 0.0021413 k( 59) = ( 0.4084507 -0.2358191 0.3334986), wk = 0.0021413 k( 60) = ( 0.4154930 -0.2398850 0.3392486), wk = 0.0021413 k( 61) = ( 0.4225352 -0.2439508 0.3449986), wk = 0.0021413 k( 62) = ( 0.4295775 -0.2480167 0.3507485), wk = 0.0021413 k( 63) = ( 0.4366197 -0.2520825 0.3564985), wk = 0.0021413 k( 64) = ( 0.4436620 -0.2561484 0.3622485), wk = 0.0021413 k( 65) = ( 0.4507042 -0.2602142 0.3679985), wk = 0.0021413 k( 66) = ( 0.4577465 -0.2642801 0.3737484), wk = 0.0021413 k( 67) = ( 0.4647887 -0.2683459 0.3794984), wk = 0.0021413 k( 68) = ( 0.4718310 -0.2724117 0.3852484), wk = 0.0021413 k( 69) = ( 0.4788732 -0.2764776 0.3909984), wk = 0.0021413 k( 70) = ( 0.4859155 -0.2805434 0.3967483), wk = 0.0021413 k( 71) = ( 0.4929577 -0.2846093 0.4024983), wk = 0.0021413 k( 72) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021413 k( 73) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021413 k( 74) = ( 0.5000000 -0.2806564 0.4139184), wk = 0.0021413 k( 75) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0021413 k( 76) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0021413 k( 77) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0021413 k( 78) = ( 0.5000000 -0.2485814 0.4365989), wk = 0.0021413 k( 79) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0021413 k( 80) = ( 0.5000000 -0.2325439 0.4479391), wk = 0.0021413 k( 81) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0021413 k( 82) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0021413 k( 83) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0021413 k( 84) = ( 0.5000000 -0.2004688 0.4706196), wk = 0.0021413 k( 85) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0021413 k( 86) = ( 0.5000000 -0.1844313 0.4819598), wk = 0.0021413 k( 87) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0021413 k( 88) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0021413 k( 89) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0021413 k( 90) = ( 0.5000000 -0.1523563 0.5046403), wk = 0.0021413 k( 91) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0021413 k( 92) = ( 0.5000000 -0.1363188 0.5159805), wk = 0.0021413 k( 93) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0021413 k( 94) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0021413 k( 95) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0021413 k( 96) = ( 0.5000000 -0.1042438 0.5386609), wk = 0.0021413 k( 97) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0021413 k( 98) = ( 0.5000000 -0.0882063 0.5500012), wk = 0.0021413 k( 99) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0021413 k( 100) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0021413 k( 101) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0021413 k( 102) = ( 0.5000000 -0.0561313 0.5726816), wk = 0.0021413 k( 103) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0021413 k( 104) = ( 0.5000000 -0.0400938 0.5840219), wk = 0.0021413 k( 105) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0021413 k( 106) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0021413 k( 107) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0021413 k( 108) = ( 0.5000000 -0.0080187 0.6067023), wk = 0.0021413 k( 109) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021413 k( 110) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021413 k( 111) = ( 0.4950000 0.0086603 0.6123724), wk = 0.0021413 k( 112) = ( 0.4900000 0.0173205 0.6123724), wk = 0.0021413 k( 113) = ( 0.4850000 0.0259808 0.6123724), wk = 0.0021413 k( 114) = ( 0.4800000 0.0346410 0.6123724), wk = 0.0021413 k( 115) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0021413 k( 116) = ( 0.4700000 0.0519615 0.6123724), wk = 0.0021413 k( 117) = ( 0.4650000 0.0606218 0.6123724), wk = 0.0021413 k( 118) = ( 0.4600000 0.0692820 0.6123724), wk = 0.0021413 k( 119) = ( 0.4550000 0.0779423 0.6123724), wk = 0.0021413 k( 120) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0021413 k( 121) = ( 0.4450000 0.0952628 0.6123724), wk = 0.0021413 k( 122) = ( 0.4400000 0.1039230 0.6123724), wk = 0.0021413 k( 123) = ( 0.4350000 0.1125833 0.6123724), wk = 0.0021413 k( 124) = ( 0.4300000 0.1212436 0.6123724), wk = 0.0021413 k( 125) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0021413 k( 126) = ( 0.4200000 0.1385641 0.6123724), wk = 0.0021413 k( 127) = ( 0.4150000 0.1472243 0.6123724), wk = 0.0021413 k( 128) = ( 0.4100000 0.1558846 0.6123724), wk = 0.0021413 k( 129) = ( 0.4050000 0.1645448 0.6123724), wk = 0.0021413 k( 130) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0021413 k( 131) = ( 0.3950000 0.1818653 0.6123724), wk = 0.0021413 k( 132) = ( 0.3900000 0.1905256 0.6123724), wk = 0.0021413 k( 133) = ( 0.3850000 0.1991858 0.6123724), wk = 0.0021413 k( 134) = ( 0.3800000 0.2078461 0.6123724), wk = 0.0021413 k( 135) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021413 k( 136) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021413 k( 137) = ( 0.3700000 0.2136196 0.6042075), wk = 0.0021413 k( 138) = ( 0.3650000 0.2107328 0.5960425), wk = 0.0021413 k( 139) = ( 0.3600000 0.2078461 0.5878775), wk = 0.0021413 k( 140) = ( 0.3550000 0.2049593 0.5797126), wk = 0.0021413 k( 141) = ( 0.3500000 0.2020726 0.5715476), wk = 0.0021413 k( 142) = ( 0.3450000 0.1991858 0.5633826), wk = 0.0021413 k( 143) = ( 0.3400000 0.1962991 0.5552177), wk = 0.0021413 k( 144) = ( 0.3350000 0.1934123 0.5470527), wk = 0.0021413 k( 145) = ( 0.3300000 0.1905256 0.5388877), wk = 0.0021413 k( 146) = ( 0.3250000 0.1876388 0.5307228), wk = 0.0021413 k( 147) = ( 0.3200000 0.1847521 0.5225578), wk = 0.0021413 k( 148) = ( 0.3150000 0.1818653 0.5143928), wk = 0.0021413 k( 149) = ( 0.3100000 0.1789786 0.5062279), wk = 0.0021413 k( 150) = ( 0.3050000 0.1760918 0.4980629), wk = 0.0021413 k( 151) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0021413 k( 152) = ( 0.2950000 0.1703183 0.4817330), wk = 0.0021413 k( 153) = ( 0.2900000 0.1674316 0.4735680), wk = 0.0021413 k( 154) = ( 0.2850000 0.1645448 0.4654031), wk = 0.0021413 k( 155) = ( 0.2800000 0.1616581 0.4572381), wk = 0.0021413 k( 156) = ( 0.2750000 0.1587713 0.4490731), wk = 0.0021413 k( 157) = ( 0.2700000 0.1558846 0.4409082), wk = 0.0021413 k( 158) = ( 0.2650000 0.1529978 0.4327432), wk = 0.0021413 k( 159) = ( 0.2600000 0.1501111 0.4245782), wk = 0.0021413 k( 160) = ( 0.2550000 0.1472243 0.4164133), wk = 0.0021413 k( 161) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0021413 k( 162) = ( 0.2450000 0.1414508 0.4000833), wk = 0.0021413 k( 163) = ( 0.2400000 0.1385641 0.3919184), wk = 0.0021413 k( 164) = ( 0.2350000 0.1356773 0.3837534), wk = 0.0021413 k( 165) = ( 0.2300000 0.1327906 0.3755884), wk = 0.0021413 k( 166) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0021413 k( 167) = ( 0.2200000 0.1270171 0.3592585), wk = 0.0021413 k( 168) = ( 0.2150000 0.1241303 0.3510935), wk = 0.0021413 k( 169) = ( 0.2100000 0.1212436 0.3429286), wk = 0.0021413 k( 170) = ( 0.2050000 0.1183568 0.3347636), wk = 0.0021413 k( 171) = ( 0.2000000 0.1154701 0.3265986), wk = 0.0021413 k( 172) = ( 0.1950000 0.1125833 0.3184337), wk = 0.0021413 k( 173) = ( 0.1900000 0.1096966 0.3102687), wk = 0.0021413 k( 174) = ( 0.1850000 0.1068098 0.3021037), wk = 0.0021413 k( 175) = ( 0.1800000 0.1039230 0.2939388), wk = 0.0021413 k( 176) = ( 0.1750000 0.1010363 0.2857738), wk = 0.0021413 k( 177) = ( 0.1700000 0.0981495 0.2776088), wk = 0.0021413 k( 178) = ( 0.1650000 0.0952628 0.2694439), wk = 0.0021413 k( 179) = ( 0.1600000 0.0923760 0.2612789), wk = 0.0021413 k( 180) = ( 0.1550000 0.0894893 0.2531139), wk = 0.0021413 k( 181) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0021413 k( 182) = ( 0.1450000 0.0837158 0.2367840), wk = 0.0021413 k( 183) = ( 0.1400000 0.0808290 0.2286190), wk = 0.0021413 k( 184) = ( 0.1350000 0.0779423 0.2204541), wk = 0.0021413 k( 185) = ( 0.1300000 0.0750555 0.2122891), wk = 0.0021413 k( 186) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0021413 k( 187) = ( 0.1200000 0.0692820 0.1959592), wk = 0.0021413 k( 188) = ( 0.1150000 0.0663953 0.1877942), wk = 0.0021413 k( 189) = ( 0.1100000 0.0635085 0.1796292), wk = 0.0021413 k( 190) = ( 0.1050000 0.0606218 0.1714643), wk = 0.0021413 k( 191) = ( 0.1000000 0.0577350 0.1632993), wk = 0.0021413 k( 192) = ( 0.0950000 0.0548483 0.1551344), wk = 0.0021413 k( 193) = ( 0.0900000 0.0519615 0.1469694), wk = 0.0021413 k( 194) = ( 0.0850000 0.0490748 0.1388044), wk = 0.0021413 k( 195) = ( 0.0800000 0.0461880 0.1306395), wk = 0.0021413 k( 196) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0021413 k( 197) = ( 0.0700000 0.0404145 0.1143095), wk = 0.0021413 k( 198) = ( 0.0650000 0.0375278 0.1061446), wk = 0.0021413 k( 199) = ( 0.0600000 0.0346410 0.0979796), wk = 0.0021413 k( 200) = ( 0.0550000 0.0317543 0.0898146), wk = 0.0021413 k( 201) = ( 0.0500000 0.0288675 0.0816497), wk = 0.0021413 k( 202) = ( 0.0450000 0.0259808 0.0734847), wk = 0.0021413 k( 203) = ( 0.0400000 0.0230940 0.0653197), wk = 0.0021413 k( 204) = ( 0.0350000 0.0202073 0.0571548), wk = 0.0021413 k( 205) = ( 0.0300000 0.0173205 0.0489898), wk = 0.0021413 k( 206) = ( 0.0250000 0.0144338 0.0408248), wk = 0.0021413 k( 207) = ( 0.0200000 0.0115470 0.0326599), wk = 0.0021413 k( 208) = ( 0.0150000 0.0086603 0.0244949), wk = 0.0021413 k( 209) = ( 0.0100000 0.0057735 0.0163299), wk = 0.0021413 k( 210) = ( 0.0050000 0.0028868 0.0081650), wk = 0.0021413 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 213) = ( 0.0080645 0.0046561 0.0032923), wk = 0.0021413 k( 214) = ( 0.0161290 0.0093121 0.0065846), wk = 0.0021413 k( 215) = ( 0.0241936 0.0139682 0.0098770), wk = 0.0021413 k( 216) = ( 0.0322581 0.0186242 0.0131693), wk = 0.0021413 k( 217) = ( 0.0403226 0.0232803 0.0164616), wk = 0.0021413 k( 218) = ( 0.0483871 0.0279363 0.0197540), wk = 0.0021413 k( 219) = ( 0.0564516 0.0325924 0.0230463), wk = 0.0021413 k( 220) = ( 0.0645161 0.0372484 0.0263386), wk = 0.0021413 k( 221) = ( 0.0725806 0.0419045 0.0296309), wk = 0.0021413 k( 222) = ( 0.0806452 0.0465605 0.0329232), wk = 0.0021413 k( 223) = ( 0.0887097 0.0512166 0.0362156), wk = 0.0021413 k( 224) = ( 0.0967742 0.0558726 0.0395079), wk = 0.0021413 k( 225) = ( 0.1048387 0.0605287 0.0428002), wk = 0.0021413 k( 226) = ( 0.1129032 0.0651847 0.0460926), wk = 0.0021413 k( 227) = ( 0.1209677 0.0698408 0.0493849), wk = 0.0021413 k( 228) = ( 0.1290323 0.0744968 0.0526772), wk = 0.0021413 k( 229) = ( 0.1370968 0.0791529 0.0559695), wk = 0.0021413 k( 230) = ( 0.1451613 0.0838089 0.0592618), wk = 0.0021413 k( 231) = ( 0.1532258 0.0884650 0.0625542), wk = 0.0021413 k( 232) = ( 0.1612903 0.0931210 0.0658465), wk = 0.0021413 k( 233) = ( 0.1693548 0.0977771 0.0691388), wk = 0.0021413 k( 234) = ( 0.1774194 0.1024331 0.0724311), wk = 0.0021413 k( 235) = ( 0.1854839 0.1070892 0.0757235), wk = 0.0021413 k( 236) = ( 0.1935484 0.1117452 0.0790158), wk = 0.0021413 k( 237) = ( 0.2016129 0.1164013 0.0823081), wk = 0.0021413 k( 238) = ( 0.2096774 0.1210573 0.0856004), wk = 0.0021413 k( 239) = ( 0.2177419 0.1257134 0.0888928), wk = 0.0021413 k( 240) = ( 0.2258064 0.1303694 0.0921851), wk = 0.0021413 k( 241) = ( 0.2338710 0.1350255 0.0954774), wk = 0.0021413 k( 242) = ( 0.2419355 0.1396815 0.0987697), wk = 0.0021413 k( 243) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0021413 k( 244) = ( 0.2580645 0.1489936 0.1053544), wk = 0.0021413 k( 245) = ( 0.2661290 0.1536497 0.1086467), wk = 0.0021413 k( 246) = ( 0.2741936 0.1583057 0.1119390), wk = 0.0021413 k( 247) = ( 0.2822581 0.1629618 0.1152314), wk = 0.0021413 k( 248) = ( 0.2903226 0.1676178 0.1185237), wk = 0.0021413 k( 249) = ( 0.2983871 0.1722739 0.1218160), wk = 0.0021413 k( 250) = ( 0.3064516 0.1769299 0.1251083), wk = 0.0021413 k( 251) = ( 0.3145161 0.1815860 0.1284007), wk = 0.0021413 k( 252) = ( 0.3225807 0.1862420 0.1316930), wk = 0.0021413 k( 253) = ( 0.3306452 0.1908981 0.1349853), wk = 0.0021413 k( 254) = ( 0.3387097 0.1955541 0.1382776), wk = 0.0021413 k( 255) = ( 0.3467742 0.2002102 0.1415700), wk = 0.0021413 k( 256) = ( 0.3548387 0.2048662 0.1448623), wk = 0.0021413 k( 257) = ( 0.3629032 0.2095223 0.1481546), wk = 0.0021413 k( 258) = ( 0.3709677 0.2141783 0.1514469), wk = 0.0021413 k( 259) = ( 0.3790323 0.2188344 0.1547393), wk = 0.0021413 k( 260) = ( 0.3870968 0.2234904 0.1580316), wk = 0.0021413 k( 261) = ( 0.3951613 0.2281465 0.1613239), wk = 0.0021413 k( 262) = ( 0.4032258 0.2328025 0.1646162), wk = 0.0021413 k( 263) = ( 0.4112903 0.2374586 0.1679086), wk = 0.0021413 k( 264) = ( 0.4193548 0.2421146 0.1712009), wk = 0.0021413 k( 265) = ( 0.4274193 0.2467707 0.1744932), wk = 0.0021413 k( 266) = ( 0.4354839 0.2514267 0.1777855), wk = 0.0021413 k( 267) = ( 0.4435484 0.2560828 0.1810779), wk = 0.0021413 k( 268) = ( 0.4516129 0.2607388 0.1843702), wk = 0.0021413 k( 269) = ( 0.4596774 0.2653949 0.1876625), wk = 0.0021413 k( 270) = ( 0.4677419 0.2700509 0.1909548), wk = 0.0021413 k( 271) = ( 0.4758064 0.2747070 0.1942472), wk = 0.0021413 k( 272) = ( 0.4838710 0.2793630 0.1975395), wk = 0.0021413 k( 273) = ( 0.4919355 0.2840191 0.2008318), wk = 0.0021413 k( 274) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021413 k( 275) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021413 k( 276) = ( 0.5028409 0.2804741 0.2087633), wk = 0.0021413 k( 277) = ( 0.5056818 0.2722731 0.2134025), wk = 0.0021413 k( 278) = ( 0.5085227 0.2640721 0.2180417), wk = 0.0021413 k( 279) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0021413 k( 280) = ( 0.5142045 0.2476701 0.2273201), wk = 0.0021413 k( 281) = ( 0.5170455 0.2394691 0.2319593), wk = 0.0021413 k( 282) = ( 0.5198864 0.2312681 0.2365984), wk = 0.0021413 k( 283) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0021413 k( 284) = ( 0.5255682 0.2148662 0.2458768), wk = 0.0021413 k( 285) = ( 0.5284091 0.2066652 0.2505160), wk = 0.0021413 k( 286) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0021413 k( 287) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0021413 k( 288) = ( 0.5369318 0.1820622 0.2644336), wk = 0.0021413 k( 289) = ( 0.5397727 0.1738612 0.2690727), wk = 0.0021413 k( 290) = ( 0.5426136 0.1656602 0.2737119), wk = 0.0021413 k( 291) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0021413 k( 292) = ( 0.5482955 0.1492582 0.2829903), wk = 0.0021413 k( 293) = ( 0.5511364 0.1410572 0.2876295), wk = 0.0021413 k( 294) = ( 0.5539773 0.1328562 0.2922687), wk = 0.0021413 k( 295) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0021413 k( 296) = ( 0.5596591 0.1164542 0.3015470), wk = 0.0021413 k( 297) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0021413 k( 298) = ( 0.5653409 0.1000522 0.3108254), wk = 0.0021413 k( 299) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0021413 k( 300) = ( 0.5710227 0.0836502 0.3201038), wk = 0.0021413 k( 301) = ( 0.5738636 0.0754492 0.3247430), wk = 0.0021413 k( 302) = ( 0.5767045 0.0672482 0.3293821), wk = 0.0021413 k( 303) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0021413 k( 304) = ( 0.5823864 0.0508462 0.3386605), wk = 0.0021413 k( 305) = ( 0.5852273 0.0426452 0.3432997), wk = 0.0021413 k( 306) = ( 0.5880682 0.0344442 0.3479389), wk = 0.0021413 k( 307) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0021413 k( 308) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0021413 k( 309) = ( 0.5965909 0.0098412 0.3618564), wk = 0.0021413 k( 310) = ( 0.5994318 0.0016402 0.3664956), wk = 0.0021413 k( 311) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0021413 k( 312) = ( 0.6051136 -0.0147618 0.3757740), wk = 0.0021413 k( 313) = ( 0.6079545 -0.0229628 0.3804132), wk = 0.0021413 k( 314) = ( 0.6107955 -0.0311638 0.3850524), wk = 0.0021413 k( 315) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0021413 k( 316) = ( 0.6164773 -0.0475658 0.3943307), wk = 0.0021413 k( 317) = ( 0.6193182 -0.0557668 0.3989699), wk = 0.0021413 k( 318) = ( 0.6221591 -0.0639678 0.4036091), wk = 0.0021413 k( 319) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021413 k( 320) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021413 k( 321) = ( 0.6200000 -0.0692820 0.4164133), wk = 0.0021413 k( 322) = ( 0.6150000 -0.0663953 0.4245782), wk = 0.0021413 k( 323) = ( 0.6100000 -0.0635085 0.4327432), wk = 0.0021413 k( 324) = ( 0.6050000 -0.0606218 0.4409082), wk = 0.0021413 k( 325) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0021413 k( 326) = ( 0.5950000 -0.0548483 0.4572381), wk = 0.0021413 k( 327) = ( 0.5900000 -0.0519615 0.4654031), wk = 0.0021413 k( 328) = ( 0.5850000 -0.0490748 0.4735680), wk = 0.0021413 k( 329) = ( 0.5800000 -0.0461880 0.4817330), wk = 0.0021413 k( 330) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0021413 k( 331) = ( 0.5700000 -0.0404145 0.4980629), wk = 0.0021413 k( 332) = ( 0.5650000 -0.0375278 0.5062279), wk = 0.0021413 k( 333) = ( 0.5600000 -0.0346410 0.5143928), wk = 0.0021413 k( 334) = ( 0.5550000 -0.0317543 0.5225578), wk = 0.0021413 k( 335) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0021413 k( 336) = ( 0.5450000 -0.0259808 0.5388877), wk = 0.0021413 k( 337) = ( 0.5400000 -0.0230940 0.5470527), wk = 0.0021413 k( 338) = ( 0.5350000 -0.0202073 0.5552177), wk = 0.0021413 k( 339) = ( 0.5300000 -0.0173205 0.5633826), wk = 0.0021413 k( 340) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0021413 k( 341) = ( 0.5200000 -0.0115470 0.5797126), wk = 0.0021413 k( 342) = ( 0.5150000 -0.0086603 0.5878775), wk = 0.0021413 k( 343) = ( 0.5100000 -0.0057735 0.5960425), wk = 0.0021413 k( 344) = ( 0.5050000 -0.0028868 0.6042075), wk = 0.0021413 k( 345) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021413 k( 346) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021413 k( 347) = ( 0.5000000 0.0057735 0.6042075), wk = 0.0021413 k( 348) = ( 0.5000000 0.0115470 0.5960425), wk = 0.0021413 k( 349) = ( 0.5000000 0.0173205 0.5878775), wk = 0.0021413 k( 350) = ( 0.5000000 0.0230940 0.5797126), wk = 0.0021413 k( 351) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0021413 k( 352) = ( 0.5000000 0.0346410 0.5633826), wk = 0.0021413 k( 353) = ( 0.5000000 0.0404145 0.5552177), wk = 0.0021413 k( 354) = ( 0.5000000 0.0461880 0.5470527), wk = 0.0021413 k( 355) = ( 0.5000000 0.0519615 0.5388877), wk = 0.0021413 k( 356) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0021413 k( 357) = ( 0.5000000 0.0635085 0.5225578), wk = 0.0021413 k( 358) = ( 0.5000000 0.0692820 0.5143928), wk = 0.0021413 k( 359) = ( 0.5000000 0.0750555 0.5062279), wk = 0.0021413 k( 360) = ( 0.5000000 0.0808290 0.4980629), wk = 0.0021413 k( 361) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0021413 k( 362) = ( 0.5000000 0.0923760 0.4817330), wk = 0.0021413 k( 363) = ( 0.5000000 0.0981495 0.4735680), wk = 0.0021413 k( 364) = ( 0.5000000 0.1039230 0.4654031), wk = 0.0021413 k( 365) = ( 0.5000000 0.1096966 0.4572381), wk = 0.0021413 k( 366) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0021413 k( 367) = ( 0.5000000 0.1212436 0.4409082), wk = 0.0021413 k( 368) = ( 0.5000000 0.1270171 0.4327432), wk = 0.0021413 k( 369) = ( 0.5000000 0.1327906 0.4245782), wk = 0.0021413 k( 370) = ( 0.5000000 0.1385641 0.4164133), wk = 0.0021413 k( 371) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0021413 k( 372) = ( 0.5000000 0.1501111 0.4000833), wk = 0.0021413 k( 373) = ( 0.5000000 0.1558846 0.3919184), wk = 0.0021413 k( 374) = ( 0.5000000 0.1616581 0.3837534), wk = 0.0021413 k( 375) = ( 0.5000000 0.1674316 0.3755884), wk = 0.0021413 k( 376) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0021413 k( 377) = ( 0.5000000 0.1789786 0.3592585), wk = 0.0021413 k( 378) = ( 0.5000000 0.1847521 0.3510935), wk = 0.0021413 k( 379) = ( 0.5000000 0.1905256 0.3429286), wk = 0.0021413 k( 380) = ( 0.5000000 0.1962991 0.3347636), wk = 0.0021413 k( 381) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0021413 k( 382) = ( 0.5000000 0.2078461 0.3184337), wk = 0.0021413 k( 383) = ( 0.5000000 0.2136196 0.3102687), wk = 0.0021413 k( 384) = ( 0.5000000 0.2193931 0.3021037), wk = 0.0021413 k( 385) = ( 0.5000000 0.2251666 0.2939388), wk = 0.0021413 k( 386) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0021413 k( 387) = ( 0.5000000 0.2367136 0.2776088), wk = 0.0021413 k( 388) = ( 0.5000000 0.2424871 0.2694439), wk = 0.0021413 k( 389) = ( 0.5000000 0.2482606 0.2612789), wk = 0.0021413 k( 390) = ( 0.5000000 0.2540341 0.2531139), wk = 0.0021413 k( 391) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0021413 k( 392) = ( 0.5000000 0.2655811 0.2367840), wk = 0.0021413 k( 393) = ( 0.5000000 0.2713546 0.2286190), wk = 0.0021413 k( 394) = ( 0.5000000 0.2771281 0.2204541), wk = 0.0021413 k( 395) = ( 0.5000000 0.2829016 0.2122891), wk = 0.0021413 k( 396) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021413 k( 397) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021413 k( 398) = ( 0.4971591 0.2870349 0.2134025), wk = 0.0021413 k( 399) = ( 0.4943182 0.2853947 0.2226809), wk = 0.0021413 k( 400) = ( 0.4914773 0.2837545 0.2319593), wk = 0.0021413 k( 401) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0021413 k( 402) = ( 0.4857955 0.2804741 0.2505160), wk = 0.0021413 k( 403) = ( 0.4829545 0.2788339 0.2597944), wk = 0.0021413 k( 404) = ( 0.4801136 0.2771937 0.2690727), wk = 0.0021413 k( 405) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0021413 k( 406) = ( 0.4744318 0.2739133 0.2876295), wk = 0.0021413 k( 407) = ( 0.4715909 0.2722731 0.2969078), wk = 0.0021413 k( 408) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0021413 k( 409) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0021413 k( 410) = ( 0.4630682 0.2673525 0.3247430), wk = 0.0021413 k( 411) = ( 0.4602273 0.2657123 0.3340213), wk = 0.0021413 k( 412) = ( 0.4573864 0.2640721 0.3432997), wk = 0.0021413 k( 413) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0021413 k( 414) = ( 0.4517045 0.2607917 0.3618564), wk = 0.0021413 k( 415) = ( 0.4488636 0.2591515 0.3711348), wk = 0.0021413 k( 416) = ( 0.4460227 0.2575113 0.3804132), wk = 0.0021413 k( 417) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0021413 k( 418) = ( 0.4403409 0.2542309 0.3989699), wk = 0.0021413 k( 419) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0021413 k( 420) = ( 0.4346591 0.2509505 0.4175267), wk = 0.0021413 k( 421) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0021413 k( 422) = ( 0.4289773 0.2476701 0.4360834), wk = 0.0021413 k( 423) = ( 0.4261364 0.2460299 0.4453618), wk = 0.0021413 k( 424) = ( 0.4232955 0.2443897 0.4546401), wk = 0.0021413 k( 425) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0021413 k( 426) = ( 0.4176136 0.2411093 0.4731969), wk = 0.0021413 k( 427) = ( 0.4147727 0.2394691 0.4824753), wk = 0.0021413 k( 428) = ( 0.4119318 0.2378289 0.4917536), wk = 0.0021413 k( 429) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0021413 k( 430) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0021413 k( 431) = ( 0.4034091 0.2329083 0.5195887), wk = 0.0021413 k( 432) = ( 0.4005682 0.2312681 0.5288671), wk = 0.0021413 k( 433) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0021413 k( 434) = ( 0.3948864 0.2279877 0.5474238), wk = 0.0021413 k( 435) = ( 0.3920455 0.2263475 0.5567022), wk = 0.0021413 k( 436) = ( 0.3892045 0.2247074 0.5659806), wk = 0.0021413 k( 437) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0021413 k( 438) = ( 0.3835227 0.2214270 0.5845373), wk = 0.0021413 k( 439) = ( 0.3806818 0.2197868 0.5938157), wk = 0.0021413 k( 440) = ( 0.3778409 0.2181466 0.6030941), wk = 0.0021413 k( 441) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021413 k( 442) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021413 k( 443) = ( 0.6200000 -0.0808290 0.4082483), wk = 0.0021413 k( 444) = ( 0.6150000 -0.0894893 0.4082483), wk = 0.0021413 k( 445) = ( 0.6100000 -0.0981495 0.4082483), wk = 0.0021413 k( 446) = ( 0.6050000 -0.1068098 0.4082483), wk = 0.0021413 k( 447) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0021413 k( 448) = ( 0.5950000 -0.1241303 0.4082483), wk = 0.0021413 k( 449) = ( 0.5900000 -0.1327906 0.4082483), wk = 0.0021413 k( 450) = ( 0.5850000 -0.1414508 0.4082483), wk = 0.0021413 k( 451) = ( 0.5800000 -0.1501111 0.4082483), wk = 0.0021413 k( 452) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0021413 k( 453) = ( 0.5700000 -0.1674316 0.4082483), wk = 0.0021413 k( 454) = ( 0.5650000 -0.1760918 0.4082483), wk = 0.0021413 k( 455) = ( 0.5600000 -0.1847521 0.4082483), wk = 0.0021413 k( 456) = ( 0.5550000 -0.1934123 0.4082483), wk = 0.0021413 k( 457) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0021413 k( 458) = ( 0.5450000 -0.2107328 0.4082483), wk = 0.0021413 k( 459) = ( 0.5400000 -0.2193931 0.4082483), wk = 0.0021413 k( 460) = ( 0.5350000 -0.2280534 0.4082483), wk = 0.0021413 k( 461) = ( 0.5300000 -0.2367136 0.4082483), wk = 0.0021413 k( 462) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0021413 k( 463) = ( 0.5200000 -0.2540341 0.4082483), wk = 0.0021413 k( 464) = ( 0.5150000 -0.2626944 0.4082483), wk = 0.0021413 k( 465) = ( 0.5100000 -0.2713546 0.4082483), wk = 0.0021413 k( 466) = ( 0.5050000 -0.2800149 0.4082483), wk = 0.0021413 k( 467) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021413 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0070422 -0.0000000 0.0070422), wk = 0.0021413 k( 3) = ( 0.0140845 0.0000000 0.0140845), wk = 0.0021413 k( 4) = ( 0.0211268 -0.0000000 0.0211268), wk = 0.0021413 k( 5) = ( 0.0281690 -0.0000000 0.0281690), wk = 0.0021413 k( 6) = ( 0.0352113 0.0000000 0.0352113), wk = 0.0021413 k( 7) = ( 0.0422535 -0.0000000 0.0422535), wk = 0.0021413 k( 8) = ( 0.0492958 0.0000000 0.0492958), wk = 0.0021413 k( 9) = ( 0.0563380 -0.0000000 0.0563380), wk = 0.0021413 k( 10) = ( 0.0633803 0.0000000 0.0633803), wk = 0.0021413 k( 11) = ( 0.0704225 0.0000000 0.0704225), wk = 0.0021413 k( 12) = ( 0.0774648 -0.0000000 0.0774648), wk = 0.0021413 k( 13) = ( 0.0845070 -0.0000000 0.0845070), wk = 0.0021413 k( 14) = ( 0.0915493 -0.0000000 0.0915493), wk = 0.0021413 k( 15) = ( 0.0985916 0.0000000 0.0985916), wk = 0.0021413 k( 16) = ( 0.1056338 0.0000000 0.1056338), wk = 0.0021413 k( 17) = ( 0.1126761 -0.0000000 0.1126761), wk = 0.0021413 k( 18) = ( 0.1197183 -0.0000000 0.1197183), wk = 0.0021413 k( 19) = ( 0.1267606 0.0000000 0.1267606), wk = 0.0021413 k( 20) = ( 0.1338028 0.0000000 0.1338028), wk = 0.0021413 k( 21) = ( 0.1408451 0.0000000 0.1408451), wk = 0.0021413 k( 22) = ( 0.1478873 0.0000000 0.1478873), wk = 0.0021413 k( 23) = ( 0.1549296 -0.0000000 0.1549296), wk = 0.0021413 k( 24) = ( 0.1619718 -0.0000000 0.1619718), wk = 0.0021413 k( 25) = ( 0.1690141 -0.0000000 0.1690141), wk = 0.0021413 k( 26) = ( 0.1760563 -0.0000000 0.1760563), wk = 0.0021413 k( 27) = ( 0.1830986 -0.0000000 0.1830986), wk = 0.0021413 k( 28) = ( 0.1901409 -0.0000000 0.1901409), wk = 0.0021413 k( 29) = ( 0.1971831 0.0000000 0.1971831), wk = 0.0021413 k( 30) = ( 0.2042253 0.0000000 0.2042253), wk = 0.0021413 k( 31) = ( 0.2112676 0.0000000 0.2112676), wk = 0.0021413 k( 32) = ( 0.2183099 0.0000000 0.2183099), wk = 0.0021413 k( 33) = ( 0.2253521 0.0000000 0.2253521), wk = 0.0021413 k( 34) = ( 0.2323944 -0.0000000 0.2323944), wk = 0.0021413 k( 35) = ( 0.2394366 -0.0000000 0.2394366), wk = 0.0021413 k( 36) = ( 0.2464789 -0.0000000 0.2464789), wk = 0.0021413 k( 37) = ( 0.2535211 0.0000000 0.2535211), wk = 0.0021413 k( 38) = ( 0.2605634 0.0000000 0.2605634), wk = 0.0021413 k( 39) = ( 0.2676056 -0.0000000 0.2676056), wk = 0.0021413 k( 40) = ( 0.2746479 -0.0000000 0.2746479), wk = 0.0021413 k( 41) = ( 0.2816901 0.0000000 0.2816901), wk = 0.0021413 k( 42) = ( 0.2887324 -0.0000000 0.2887324), wk = 0.0021413 k( 43) = ( 0.2957746 -0.0000000 0.2957746), wk = 0.0021413 k( 44) = ( 0.3028169 0.0000000 0.3028169), wk = 0.0021413 k( 45) = ( 0.3098592 0.0000000 0.3098592), wk = 0.0021413 k( 46) = ( 0.3169014 0.0000000 0.3169014), wk = 0.0021413 k( 47) = ( 0.3239437 -0.0000000 0.3239437), wk = 0.0021413 k( 48) = ( 0.3309859 -0.0000000 0.3309859), wk = 0.0021413 k( 49) = ( 0.3380282 0.0000000 0.3380282), wk = 0.0021413 k( 50) = ( 0.3450704 -0.0000000 0.3450704), wk = 0.0021413 k( 51) = ( 0.3521127 -0.0000000 0.3521127), wk = 0.0021413 k( 52) = ( 0.3591549 0.0000000 0.3591549), wk = 0.0021413 k( 53) = ( 0.3661972 -0.0000000 0.3661972), wk = 0.0021413 k( 54) = ( 0.3732394 -0.0000000 0.3732394), wk = 0.0021413 k( 55) = ( 0.3802817 -0.0000000 0.3802817), wk = 0.0021413 k( 56) = ( 0.3873239 0.0000000 0.3873239), wk = 0.0021413 k( 57) = ( 0.3943662 0.0000000 0.3943662), wk = 0.0021413 k( 58) = ( 0.4014085 -0.0000000 0.4014085), wk = 0.0021413 k( 59) = ( 0.4084507 0.0000000 0.4084507), wk = 0.0021413 k( 60) = ( 0.4154930 0.0000000 0.4154930), wk = 0.0021413 k( 61) = ( 0.4225352 -0.0000000 0.4225352), wk = 0.0021413 k( 62) = ( 0.4295775 -0.0000000 0.4295775), wk = 0.0021413 k( 63) = ( 0.4366197 0.0000000 0.4366197), wk = 0.0021413 k( 64) = ( 0.4436620 -0.0000000 0.4436620), wk = 0.0021413 k( 65) = ( 0.4507042 -0.0000000 0.4507042), wk = 0.0021413 k( 66) = ( 0.4577465 0.0000000 0.4577465), wk = 0.0021413 k( 67) = ( 0.4647887 -0.0000000 0.4647887), wk = 0.0021413 k( 68) = ( 0.4718310 -0.0000000 0.4718310), wk = 0.0021413 k( 69) = ( 0.4788732 -0.0000000 0.4788732), wk = 0.0021413 k( 70) = ( 0.4859155 -0.0000000 0.4859155), wk = 0.0021413 k( 71) = ( 0.4929577 0.0000000 0.4929577), wk = 0.0021413 k( 72) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 k( 73) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 k( 74) = ( 0.5000000 0.0069444 0.5069444), wk = 0.0021413 k( 75) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0021413 k( 76) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0021413 k( 77) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0021413 k( 78) = ( 0.5000000 0.0347222 0.5347222), wk = 0.0021413 k( 79) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0021413 k( 80) = ( 0.5000000 0.0486111 0.5486111), wk = 0.0021413 k( 81) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0021413 k( 82) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0021413 k( 83) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0021413 k( 84) = ( 0.5000000 0.0763889 0.5763889), wk = 0.0021413 k( 85) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0021413 k( 86) = ( 0.5000000 0.0902778 0.5902778), wk = 0.0021413 k( 87) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0021413 k( 88) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0021413 k( 89) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0021413 k( 90) = ( 0.5000000 0.1180556 0.6180556), wk = 0.0021413 k( 91) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0021413 k( 92) = ( 0.5000000 0.1319444 0.6319444), wk = 0.0021413 k( 93) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0021413 k( 94) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0021413 k( 95) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0021413 k( 96) = ( 0.5000000 0.1597222 0.6597222), wk = 0.0021413 k( 97) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0021413 k( 98) = ( 0.5000000 0.1736111 0.6736111), wk = 0.0021413 k( 99) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0021413 k( 100) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0021413 k( 101) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0021413 k( 102) = ( 0.5000000 0.2013889 0.7013889), wk = 0.0021413 k( 103) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0021413 k( 104) = ( 0.5000000 0.2152778 0.7152778), wk = 0.0021413 k( 105) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0021413 k( 106) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0021413 k( 107) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0021413 k( 108) = ( 0.5000000 0.2430556 0.7430556), wk = 0.0021413 k( 109) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021413 k( 110) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021413 k( 111) = ( 0.4950000 0.2550000 0.7500000), wk = 0.0021413 k( 112) = ( 0.4900000 0.2600000 0.7500000), wk = 0.0021413 k( 113) = ( 0.4850000 0.2650000 0.7500000), wk = 0.0021413 k( 114) = ( 0.4800000 0.2700000 0.7500000), wk = 0.0021413 k( 115) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0021413 k( 116) = ( 0.4700000 0.2800000 0.7500000), wk = 0.0021413 k( 117) = ( 0.4650000 0.2850000 0.7500000), wk = 0.0021413 k( 118) = ( 0.4600000 0.2900000 0.7500000), wk = 0.0021413 k( 119) = ( 0.4550000 0.2950000 0.7500000), wk = 0.0021413 k( 120) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0021413 k( 121) = ( 0.4450000 0.3050000 0.7500000), wk = 0.0021413 k( 122) = ( 0.4400000 0.3100000 0.7500000), wk = 0.0021413 k( 123) = ( 0.4350000 0.3150000 0.7500000), wk = 0.0021413 k( 124) = ( 0.4300000 0.3200000 0.7500000), wk = 0.0021413 k( 125) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0021413 k( 126) = ( 0.4200000 0.3300000 0.7500000), wk = 0.0021413 k( 127) = ( 0.4150000 0.3350000 0.7500000), wk = 0.0021413 k( 128) = ( 0.4100000 0.3400000 0.7500000), wk = 0.0021413 k( 129) = ( 0.4050000 0.3450000 0.7500000), wk = 0.0021413 k( 130) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0021413 k( 131) = ( 0.3950000 0.3550000 0.7500000), wk = 0.0021413 k( 132) = ( 0.3900000 0.3600000 0.7500000), wk = 0.0021413 k( 133) = ( 0.3850000 0.3650000 0.7500000), wk = 0.0021413 k( 134) = ( 0.3800000 0.3700000 0.7500000), wk = 0.0021413 k( 135) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021413 k( 136) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021413 k( 137) = ( 0.3700000 0.3700000 0.7400000), wk = 0.0021413 k( 138) = ( 0.3650000 0.3650000 0.7300000), wk = 0.0021413 k( 139) = ( 0.3600000 0.3600000 0.7200000), wk = 0.0021413 k( 140) = ( 0.3550000 0.3550000 0.7100000), wk = 0.0021413 k( 141) = ( 0.3500000 0.3500000 0.7000000), wk = 0.0021413 k( 142) = ( 0.3450000 0.3450000 0.6900000), wk = 0.0021413 k( 143) = ( 0.3400000 0.3400000 0.6800000), wk = 0.0021413 k( 144) = ( 0.3350000 0.3350000 0.6700000), wk = 0.0021413 k( 145) = ( 0.3300000 0.3300000 0.6600000), wk = 0.0021413 k( 146) = ( 0.3250000 0.3250000 0.6500000), wk = 0.0021413 k( 147) = ( 0.3200000 0.3200000 0.6400000), wk = 0.0021413 k( 148) = ( 0.3150000 0.3150000 0.6300000), wk = 0.0021413 k( 149) = ( 0.3100000 0.3100000 0.6200000), wk = 0.0021413 k( 150) = ( 0.3050000 0.3050000 0.6100000), wk = 0.0021413 k( 151) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0021413 k( 152) = ( 0.2950000 0.2950000 0.5900000), wk = 0.0021413 k( 153) = ( 0.2900000 0.2900000 0.5800000), wk = 0.0021413 k( 154) = ( 0.2850000 0.2850000 0.5700000), wk = 0.0021413 k( 155) = ( 0.2800000 0.2800000 0.5600000), wk = 0.0021413 k( 156) = ( 0.2750000 0.2750000 0.5500000), wk = 0.0021413 k( 157) = ( 0.2700000 0.2700000 0.5400000), wk = 0.0021413 k( 158) = ( 0.2650000 0.2650000 0.5300000), wk = 0.0021413 k( 159) = ( 0.2600000 0.2600000 0.5200000), wk = 0.0021413 k( 160) = ( 0.2550000 0.2550000 0.5100000), wk = 0.0021413 k( 161) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0021413 k( 162) = ( 0.2450000 0.2450000 0.4900000), wk = 0.0021413 k( 163) = ( 0.2400000 0.2400000 0.4800000), wk = 0.0021413 k( 164) = ( 0.2350000 0.2350000 0.4700000), wk = 0.0021413 k( 165) = ( 0.2300000 0.2300000 0.4600000), wk = 0.0021413 k( 166) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0021413 k( 167) = ( 0.2200000 0.2200000 0.4400000), wk = 0.0021413 k( 168) = ( 0.2150000 0.2150000 0.4300000), wk = 0.0021413 k( 169) = ( 0.2100000 0.2100000 0.4200000), wk = 0.0021413 k( 170) = ( 0.2050000 0.2050000 0.4100000), wk = 0.0021413 k( 171) = ( 0.2000000 0.2000000 0.4000000), wk = 0.0021413 k( 172) = ( 0.1950000 0.1950000 0.3900000), wk = 0.0021413 k( 173) = ( 0.1900000 0.1900000 0.3800000), wk = 0.0021413 k( 174) = ( 0.1850000 0.1850000 0.3700000), wk = 0.0021413 k( 175) = ( 0.1800000 0.1800000 0.3600000), wk = 0.0021413 k( 176) = ( 0.1750000 0.1750000 0.3500000), wk = 0.0021413 k( 177) = ( 0.1700000 0.1700000 0.3400000), wk = 0.0021413 k( 178) = ( 0.1650000 0.1650000 0.3300000), wk = 0.0021413 k( 179) = ( 0.1600000 0.1600000 0.3200000), wk = 0.0021413 k( 180) = ( 0.1550000 0.1550000 0.3100000), wk = 0.0021413 k( 181) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0021413 k( 182) = ( 0.1450000 0.1450000 0.2900000), wk = 0.0021413 k( 183) = ( 0.1400000 0.1400000 0.2800000), wk = 0.0021413 k( 184) = ( 0.1350000 0.1350000 0.2700000), wk = 0.0021413 k( 185) = ( 0.1300000 0.1300000 0.2600000), wk = 0.0021413 k( 186) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0021413 k( 187) = ( 0.1200000 0.1200000 0.2400000), wk = 0.0021413 k( 188) = ( 0.1150000 0.1150000 0.2300000), wk = 0.0021413 k( 189) = ( 0.1100000 0.1100000 0.2200000), wk = 0.0021413 k( 190) = ( 0.1050000 0.1050000 0.2100000), wk = 0.0021413 k( 191) = ( 0.1000000 0.1000000 0.2000000), wk = 0.0021413 k( 192) = ( 0.0950000 0.0950000 0.1900000), wk = 0.0021413 k( 193) = ( 0.0900000 0.0900000 0.1800000), wk = 0.0021413 k( 194) = ( 0.0850000 0.0850000 0.1700000), wk = 0.0021413 k( 195) = ( 0.0800000 0.0800000 0.1600000), wk = 0.0021413 k( 196) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0021413 k( 197) = ( 0.0700000 0.0700000 0.1400000), wk = 0.0021413 k( 198) = ( 0.0650000 0.0650000 0.1300000), wk = 0.0021413 k( 199) = ( 0.0600000 0.0600000 0.1200000), wk = 0.0021413 k( 200) = ( 0.0550000 0.0550000 0.1100000), wk = 0.0021413 k( 201) = ( 0.0500000 0.0500000 0.1000000), wk = 0.0021413 k( 202) = ( 0.0450000 0.0450000 0.0900000), wk = 0.0021413 k( 203) = ( 0.0400000 0.0400000 0.0800000), wk = 0.0021413 k( 204) = ( 0.0350000 0.0350000 0.0700000), wk = 0.0021413 k( 205) = ( 0.0300000 0.0300000 0.0600000), wk = 0.0021413 k( 206) = ( 0.0250000 0.0250000 0.0500000), wk = 0.0021413 k( 207) = ( 0.0200000 0.0200000 0.0400000), wk = 0.0021413 k( 208) = ( 0.0150000 0.0150000 0.0300000), wk = 0.0021413 k( 209) = ( 0.0100000 0.0100000 0.0200000), wk = 0.0021413 k( 210) = ( 0.0050000 0.0050000 0.0100000), wk = 0.0021413 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 213) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0021413 k( 214) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0021413 k( 215) = ( 0.0241936 0.0241936 0.0241936), wk = 0.0021413 k( 216) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0021413 k( 217) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0021413 k( 218) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0021413 k( 219) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0021413 k( 220) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0021413 k( 221) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0021413 k( 222) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0021413 k( 223) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0021413 k( 224) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0021413 k( 225) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0021413 k( 226) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0021413 k( 227) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0021413 k( 228) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0021413 k( 229) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0021413 k( 230) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0021413 k( 231) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0021413 k( 232) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0021413 k( 233) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0021413 k( 234) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0021413 k( 235) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0021413 k( 236) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0021413 k( 237) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0021413 k( 238) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0021413 k( 239) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0021413 k( 240) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0021413 k( 241) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0021413 k( 242) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0021413 k( 243) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021413 k( 244) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0021413 k( 245) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0021413 k( 246) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0021413 k( 247) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0021413 k( 248) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0021413 k( 249) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0021413 k( 250) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0021413 k( 251) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0021413 k( 252) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0021413 k( 253) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0021413 k( 254) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0021413 k( 255) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0021413 k( 256) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0021413 k( 257) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0021413 k( 258) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0021413 k( 259) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0021413 k( 260) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0021413 k( 261) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0021413 k( 262) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0021413 k( 263) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0021413 k( 264) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0021413 k( 265) = ( 0.4274193 0.4274193 0.4274194), wk = 0.0021413 k( 266) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0021413 k( 267) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0021413 k( 268) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0021413 k( 269) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0021413 k( 270) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0021413 k( 271) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0021413 k( 272) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0021413 k( 273) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0021413 k( 274) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021413 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021413 k( 276) = ( 0.5028409 0.4943182 0.5028409), wk = 0.0021413 k( 277) = ( 0.5056818 0.4886364 0.5056818), wk = 0.0021413 k( 278) = ( 0.5085227 0.4829545 0.5085227), wk = 0.0021413 k( 279) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0021413 k( 280) = ( 0.5142045 0.4715909 0.5142046), wk = 0.0021413 k( 281) = ( 0.5170455 0.4659091 0.5170455), wk = 0.0021413 k( 282) = ( 0.5198864 0.4602273 0.5198864), wk = 0.0021413 k( 283) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0021413 k( 284) = ( 0.5255682 0.4488636 0.5255682), wk = 0.0021413 k( 285) = ( 0.5284091 0.4431818 0.5284091), wk = 0.0021413 k( 286) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0021413 k( 287) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0021413 k( 288) = ( 0.5369318 0.4261364 0.5369318), wk = 0.0021413 k( 289) = ( 0.5397727 0.4204545 0.5397727), wk = 0.0021413 k( 290) = ( 0.5426136 0.4147727 0.5426136), wk = 0.0021413 k( 291) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0021413 k( 292) = ( 0.5482955 0.4034091 0.5482955), wk = 0.0021413 k( 293) = ( 0.5511364 0.3977273 0.5511364), wk = 0.0021413 k( 294) = ( 0.5539773 0.3920455 0.5539773), wk = 0.0021413 k( 295) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0021413 k( 296) = ( 0.5596591 0.3806818 0.5596591), wk = 0.0021413 k( 297) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0021413 k( 298) = ( 0.5653409 0.3693182 0.5653409), wk = 0.0021413 k( 299) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0021413 k( 300) = ( 0.5710227 0.3579545 0.5710227), wk = 0.0021413 k( 301) = ( 0.5738636 0.3522727 0.5738636), wk = 0.0021413 k( 302) = ( 0.5767045 0.3465909 0.5767045), wk = 0.0021413 k( 303) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0021413 k( 304) = ( 0.5823864 0.3352273 0.5823864), wk = 0.0021413 k( 305) = ( 0.5852273 0.3295455 0.5852273), wk = 0.0021413 k( 306) = ( 0.5880682 0.3238636 0.5880682), wk = 0.0021413 k( 307) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0021413 k( 308) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0021413 k( 309) = ( 0.5965909 0.3068182 0.5965909), wk = 0.0021413 k( 310) = ( 0.5994318 0.3011364 0.5994318), wk = 0.0021413 k( 311) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0021413 k( 312) = ( 0.6051136 0.2897727 0.6051136), wk = 0.0021413 k( 313) = ( 0.6079545 0.2840909 0.6079545), wk = 0.0021413 k( 314) = ( 0.6107955 0.2784091 0.6107955), wk = 0.0021413 k( 315) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0021413 k( 316) = ( 0.6164773 0.2670455 0.6164773), wk = 0.0021413 k( 317) = ( 0.6193182 0.2613636 0.6193182), wk = 0.0021413 k( 318) = ( 0.6221591 0.2556818 0.6221591), wk = 0.0021413 k( 319) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021413 k( 320) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021413 k( 321) = ( 0.6200000 0.2500000 0.6300000), wk = 0.0021413 k( 322) = ( 0.6150000 0.2500000 0.6350000), wk = 0.0021413 k( 323) = ( 0.6100000 0.2500000 0.6400000), wk = 0.0021413 k( 324) = ( 0.6050000 0.2500000 0.6450000), wk = 0.0021413 k( 325) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0021413 k( 326) = ( 0.5950000 0.2500000 0.6550000), wk = 0.0021413 k( 327) = ( 0.5900000 0.2500000 0.6600000), wk = 0.0021413 k( 328) = ( 0.5850000 0.2500000 0.6650000), wk = 0.0021413 k( 329) = ( 0.5800000 0.2500000 0.6700000), wk = 0.0021413 k( 330) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0021413 k( 331) = ( 0.5700000 0.2500000 0.6800000), wk = 0.0021413 k( 332) = ( 0.5650000 0.2500000 0.6850000), wk = 0.0021413 k( 333) = ( 0.5600000 0.2500000 0.6900000), wk = 0.0021413 k( 334) = ( 0.5550000 0.2500000 0.6950000), wk = 0.0021413 k( 335) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0021413 k( 336) = ( 0.5450000 0.2500000 0.7050000), wk = 0.0021413 k( 337) = ( 0.5400000 0.2500000 0.7100000), wk = 0.0021413 k( 338) = ( 0.5350000 0.2500000 0.7150000), wk = 0.0021413 k( 339) = ( 0.5300000 0.2500000 0.7200000), wk = 0.0021413 k( 340) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0021413 k( 341) = ( 0.5200000 0.2500000 0.7300000), wk = 0.0021413 k( 342) = ( 0.5150000 0.2500000 0.7350000), wk = 0.0021413 k( 343) = ( 0.5100000 0.2500000 0.7400000), wk = 0.0021413 k( 344) = ( 0.5050000 0.2500000 0.7450000), wk = 0.0021413 k( 345) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021413 k( 346) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021413 k( 347) = ( 0.5000000 0.2550000 0.7450000), wk = 0.0021413 k( 348) = ( 0.5000000 0.2600000 0.7400000), wk = 0.0021413 k( 349) = ( 0.5000000 0.2650000 0.7350000), wk = 0.0021413 k( 350) = ( 0.5000000 0.2700000 0.7300000), wk = 0.0021413 k( 351) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0021413 k( 352) = ( 0.5000000 0.2800000 0.7200000), wk = 0.0021413 k( 353) = ( 0.5000000 0.2850000 0.7150000), wk = 0.0021413 k( 354) = ( 0.5000000 0.2900000 0.7100000), wk = 0.0021413 k( 355) = ( 0.5000000 0.2950000 0.7050000), wk = 0.0021413 k( 356) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0021413 k( 357) = ( 0.5000000 0.3050000 0.6950000), wk = 0.0021413 k( 358) = ( 0.5000000 0.3100000 0.6900000), wk = 0.0021413 k( 359) = ( 0.5000000 0.3150000 0.6850000), wk = 0.0021413 k( 360) = ( 0.5000000 0.3200000 0.6800000), wk = 0.0021413 k( 361) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0021413 k( 362) = ( 0.5000000 0.3300000 0.6700000), wk = 0.0021413 k( 363) = ( 0.5000000 0.3350000 0.6650000), wk = 0.0021413 k( 364) = ( 0.5000000 0.3400000 0.6600000), wk = 0.0021413 k( 365) = ( 0.5000000 0.3450000 0.6550000), wk = 0.0021413 k( 366) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0021413 k( 367) = ( 0.5000000 0.3550000 0.6450000), wk = 0.0021413 k( 368) = ( 0.5000000 0.3600000 0.6400000), wk = 0.0021413 k( 369) = ( 0.5000000 0.3650000 0.6350000), wk = 0.0021413 k( 370) = ( 0.5000000 0.3700000 0.6300000), wk = 0.0021413 k( 371) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0021413 k( 372) = ( 0.5000000 0.3800000 0.6200000), wk = 0.0021413 k( 373) = ( 0.5000000 0.3850000 0.6150000), wk = 0.0021413 k( 374) = ( 0.5000000 0.3900000 0.6100000), wk = 0.0021413 k( 375) = ( 0.5000000 0.3950000 0.6050000), wk = 0.0021413 k( 376) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0021413 k( 377) = ( 0.5000000 0.4050000 0.5950000), wk = 0.0021413 k( 378) = ( 0.5000000 0.4100000 0.5900000), wk = 0.0021413 k( 379) = ( 0.5000000 0.4150000 0.5850000), wk = 0.0021413 k( 380) = ( 0.5000000 0.4200000 0.5800000), wk = 0.0021413 k( 381) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0021413 k( 382) = ( 0.5000000 0.4300000 0.5700000), wk = 0.0021413 k( 383) = ( 0.5000000 0.4350000 0.5650000), wk = 0.0021413 k( 384) = ( 0.5000000 0.4400000 0.5600000), wk = 0.0021413 k( 385) = ( 0.5000000 0.4450000 0.5550000), wk = 0.0021413 k( 386) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0021413 k( 387) = ( 0.5000000 0.4550000 0.5450000), wk = 0.0021413 k( 388) = ( 0.5000000 0.4600000 0.5400000), wk = 0.0021413 k( 389) = ( 0.5000000 0.4650000 0.5350000), wk = 0.0021413 k( 390) = ( 0.5000000 0.4700000 0.5300000), wk = 0.0021413 k( 391) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0021413 k( 392) = ( 0.5000000 0.4800000 0.5200000), wk = 0.0021413 k( 393) = ( 0.5000000 0.4850000 0.5150000), wk = 0.0021413 k( 394) = ( 0.5000000 0.4900000 0.5100000), wk = 0.0021413 k( 395) = ( 0.5000000 0.4950000 0.5050000), wk = 0.0021413 k( 396) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021413 k( 397) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021413 k( 398) = ( 0.4971591 0.4971591 0.5056818), wk = 0.0021413 k( 399) = ( 0.4943182 0.4943182 0.5113636), wk = 0.0021413 k( 400) = ( 0.4914773 0.4914773 0.5170455), wk = 0.0021413 k( 401) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0021413 k( 402) = ( 0.4857955 0.4857955 0.5284091), wk = 0.0021413 k( 403) = ( 0.4829545 0.4829545 0.5340909), wk = 0.0021413 k( 404) = ( 0.4801136 0.4801136 0.5397727), wk = 0.0021413 k( 405) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0021413 k( 406) = ( 0.4744318 0.4744318 0.5511364), wk = 0.0021413 k( 407) = ( 0.4715909 0.4715909 0.5568182), wk = 0.0021413 k( 408) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0021413 k( 409) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0021413 k( 410) = ( 0.4630682 0.4630682 0.5738636), wk = 0.0021413 k( 411) = ( 0.4602273 0.4602273 0.5795455), wk = 0.0021413 k( 412) = ( 0.4573864 0.4573864 0.5852273), wk = 0.0021413 k( 413) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0021413 k( 414) = ( 0.4517045 0.4517045 0.5965909), wk = 0.0021413 k( 415) = ( 0.4488636 0.4488636 0.6022727), wk = 0.0021413 k( 416) = ( 0.4460227 0.4460227 0.6079545), wk = 0.0021413 k( 417) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0021413 k( 418) = ( 0.4403409 0.4403409 0.6193182), wk = 0.0021413 k( 419) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0021413 k( 420) = ( 0.4346591 0.4346591 0.6306818), wk = 0.0021413 k( 421) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0021413 k( 422) = ( 0.4289773 0.4289773 0.6420455), wk = 0.0021413 k( 423) = ( 0.4261364 0.4261364 0.6477273), wk = 0.0021413 k( 424) = ( 0.4232955 0.4232955 0.6534091), wk = 0.0021413 k( 425) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0021413 k( 426) = ( 0.4176136 0.4176136 0.6647727), wk = 0.0021413 k( 427) = ( 0.4147727 0.4147727 0.6704545), wk = 0.0021413 k( 428) = ( 0.4119318 0.4119318 0.6761364), wk = 0.0021413 k( 429) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0021413 k( 430) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0021413 k( 431) = ( 0.4034091 0.4034091 0.6931818), wk = 0.0021413 k( 432) = ( 0.4005682 0.4005682 0.6988636), wk = 0.0021413 k( 433) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0021413 k( 434) = ( 0.3948864 0.3948864 0.7102273), wk = 0.0021413 k( 435) = ( 0.3920455 0.3920455 0.7159091), wk = 0.0021413 k( 436) = ( 0.3892045 0.3892045 0.7215909), wk = 0.0021413 k( 437) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0021413 k( 438) = ( 0.3835227 0.3835227 0.7329546), wk = 0.0021413 k( 439) = ( 0.3806818 0.3806818 0.7386364), wk = 0.0021413 k( 440) = ( 0.3778409 0.3778409 0.7443182), wk = 0.0021413 k( 441) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021413 k( 442) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021413 k( 443) = ( 0.6200000 0.2400000 0.6200000), wk = 0.0021413 k( 444) = ( 0.6150000 0.2300000 0.6150000), wk = 0.0021413 k( 445) = ( 0.6100000 0.2200000 0.6100000), wk = 0.0021413 k( 446) = ( 0.6050000 0.2100000 0.6050000), wk = 0.0021413 k( 447) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0021413 k( 448) = ( 0.5950000 0.1900000 0.5950000), wk = 0.0021413 k( 449) = ( 0.5900000 0.1800000 0.5900000), wk = 0.0021413 k( 450) = ( 0.5850000 0.1700000 0.5850000), wk = 0.0021413 k( 451) = ( 0.5800000 0.1600000 0.5800000), wk = 0.0021413 k( 452) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0021413 k( 453) = ( 0.5700000 0.1400000 0.5700000), wk = 0.0021413 k( 454) = ( 0.5650000 0.1300000 0.5650000), wk = 0.0021413 k( 455) = ( 0.5600000 0.1200000 0.5600000), wk = 0.0021413 k( 456) = ( 0.5550000 0.1100000 0.5550000), wk = 0.0021413 k( 457) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0021413 k( 458) = ( 0.5450000 0.0900000 0.5450000), wk = 0.0021413 k( 459) = ( 0.5400000 0.0800000 0.5400000), wk = 0.0021413 k( 460) = ( 0.5350000 0.0700000 0.5350000), wk = 0.0021413 k( 461) = ( 0.5300000 0.0600000 0.5300000), wk = 0.0021413 k( 462) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0021413 k( 463) = ( 0.5200000 0.0400000 0.5200000), wk = 0.0021413 k( 464) = ( 0.5150000 0.0300000 0.5150000), wk = 0.0021413 k( 465) = ( 0.5100000 0.0200000 0.5100000), wk = 0.0021413 k( 466) = ( 0.5050000 0.0100000 0.5050000), wk = 0.0021413 k( 467) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 Dense grid: 15009 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 6735 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 56, 24) NL pseudopotentials 0.02 Mb ( 28, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 419) G-vector shells 0.00 Mb ( 160) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 56, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 48, 2, 24) The potential is recalculated from file : ./HfC.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 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.5 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.7 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 2.9 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 3.1 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 3.3 secs Computing kpt #: 18 total cpu time spent up to now is 3.4 secs Computing kpt #: 19 total cpu time spent up to now is 3.4 secs Computing kpt #: 20 total cpu time spent up to now is 3.5 secs Computing kpt #: 21 total cpu time spent up to now is 3.6 secs Computing kpt #: 22 total cpu time spent up to now is 3.6 secs Computing kpt #: 23 total cpu time spent up to now is 3.7 secs Computing kpt #: 24 total cpu time spent up to now is 3.8 secs Computing kpt #: 25 total cpu time spent up to now is 3.8 secs Computing kpt #: 26 total cpu time spent up to now is 3.9 secs Computing kpt #: 27 total cpu time spent up to now is 4.0 secs Computing kpt #: 28 total cpu time spent up to now is 4.0 secs Computing kpt #: 29 total cpu time spent up to now is 4.1 secs Computing kpt #: 30 total cpu time spent up to now is 4.1 secs Computing kpt #: 31 total cpu time spent up to now is 4.2 secs Computing kpt #: 32 total cpu time spent up to now is 4.3 secs Computing kpt #: 33 total cpu time spent up to now is 4.3 secs Computing kpt #: 34 total cpu time spent up to now is 4.4 secs Computing kpt #: 35 total cpu time spent up to now is 4.5 secs Computing kpt #: 36 total cpu time spent up to now is 4.5 secs Computing kpt #: 37 total cpu time spent up to now is 4.6 secs Computing kpt #: 38 total cpu time spent up to now is 4.6 secs Computing kpt #: 39 total cpu time spent up to now is 4.7 secs Computing kpt #: 40 total cpu time spent up to now is 4.8 secs Computing kpt #: 41 total cpu time spent up to now is 4.8 secs Computing kpt #: 42 total cpu time spent up to now is 4.9 secs Computing kpt #: 43 total cpu time spent up to now is 5.0 secs Computing kpt #: 44 total cpu time spent up to now is 5.0 secs Computing kpt #: 45 total cpu time spent up to now is 5.1 secs Computing kpt #: 46 total cpu time spent up to now is 5.2 secs Computing kpt #: 47 total cpu time spent up to now is 5.2 secs Computing kpt #: 48 total cpu time spent up to now is 5.3 secs Computing kpt #: 49 total cpu time spent up to now is 5.4 secs Computing kpt #: 50 total cpu time spent up to now is 5.4 secs Computing kpt #: 51 total cpu time spent up to now is 5.5 secs Computing kpt #: 52 total cpu time spent up to now is 5.6 secs Computing kpt #: 53 total cpu time spent up to now is 5.7 secs Computing kpt #: 54 total cpu time spent up to now is 5.7 secs Computing kpt #: 55 total cpu time spent up to now is 5.8 secs Computing kpt #: 56 total cpu time spent up to now is 5.9 secs Computing kpt #: 57 total cpu time spent up to now is 5.9 secs Computing kpt #: 58 total cpu time spent up to now is 6.0 secs Computing kpt #: 59 total cpu time spent up to now is 6.1 secs Computing kpt #: 60 total cpu time spent up to now is 6.1 secs Computing kpt #: 61 total cpu time spent up to now is 6.2 secs Computing kpt #: 62 total cpu time spent up to now is 6.3 secs Computing kpt #: 63 total cpu time spent up to now is 6.3 secs Computing kpt #: 64 total cpu time spent up to now is 6.4 secs Computing kpt #: 65 total cpu time spent up to now is 6.5 secs Computing kpt #: 66 total cpu time spent up to now is 6.5 secs Computing kpt #: 67 total cpu time spent up to now is 6.6 secs Computing kpt #: 68 total cpu time spent up to now is 6.6 secs Computing kpt #: 69 total cpu time spent up to now is 6.7 secs Computing kpt #: 70 total cpu time spent up to now is 6.8 secs Computing kpt #: 71 total cpu time spent up to now is 6.8 secs Computing kpt #: 72 total cpu time spent up to now is 6.9 secs Computing kpt #: 73 total cpu time spent up to now is 7.0 secs Computing kpt #: 74 total cpu time spent up to now is 7.0 secs Computing kpt #: 75 total cpu time spent up to now is 7.1 secs Computing kpt #: 76 total cpu time spent up to now is 7.2 secs Computing kpt #: 77 total cpu time spent up to now is 7.2 secs Computing kpt #: 78 total cpu time spent up to now is 7.3 secs Computing kpt #: 79 total cpu time spent up to now is 7.3 secs Computing kpt #: 80 total cpu time spent up to now is 7.4 secs Computing kpt #: 81 total cpu time spent up to now is 7.5 secs Computing kpt #: 82 total cpu time spent up to now is 7.5 secs Computing kpt #: 83 total cpu time spent up to now is 7.6 secs Computing kpt #: 84 total cpu time spent up to now is 7.8 secs Computing kpt #: 85 total cpu time spent up to now is 7.8 secs Computing kpt #: 86 total cpu time spent up to now is 7.9 secs Computing kpt #: 87 total cpu time spent up to now is 8.0 secs Computing kpt #: 88 total cpu time spent up to now is 8.0 secs Computing kpt #: 89 total cpu time spent up to now is 8.1 secs Computing kpt #: 90 total cpu time spent up to now is 8.2 secs Computing kpt #: 91 total cpu time spent up to now is 8.2 secs Computing kpt #: 92 total cpu time spent up to now is 8.3 secs Computing kpt #: 93 total cpu time spent up to now is 8.4 secs Computing kpt #: 94 total cpu time spent up to now is 8.4 secs Computing kpt #: 95 total cpu time spent up to now is 8.5 secs Computing kpt #: 96 total cpu time spent up to now is 8.6 secs Computing kpt #: 97 total cpu time spent up to now is 8.6 secs Computing kpt #: 98 total cpu time spent up to now is 8.7 secs Computing kpt #: 99 total cpu time spent up to now is 8.8 secs Computing kpt #: 100 total cpu time spent up to now is 8.9 secs Computing kpt #: 101 total cpu time spent up to now is 8.9 secs Computing kpt #: 102 total cpu time spent up to now is 9.0 secs Computing kpt #: 103 total cpu time spent up to now is 9.1 secs Computing kpt #: 104 total cpu time spent up to now is 9.1 secs Computing kpt #: 105 total cpu time spent up to now is 9.2 secs Computing kpt #: 106 total cpu time spent up to now is 9.3 secs Computing kpt #: 107 total cpu time spent up to 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up to now is 11.7 secs Computing kpt #: 139 total cpu time spent up to now is 11.8 secs Computing kpt #: 140 total cpu time spent up to now is 11.8 secs Computing kpt #: 141 total cpu time spent up to now is 11.9 secs Computing kpt #: 142 total cpu time spent up to now is 12.0 secs Computing kpt #: 143 total cpu time spent up to now is 12.1 secs Computing kpt #: 144 total cpu time spent up to now is 12.1 secs Computing kpt #: 145 total cpu time spent up to now is 12.2 secs Computing kpt #: 146 total cpu time spent up to now is 12.3 secs Computing kpt #: 147 total cpu time spent up to now is 12.3 secs Computing kpt #: 148 total cpu time spent up to now is 12.4 secs Computing kpt #: 149 total cpu time spent up to now is 12.5 secs Computing kpt #: 150 total cpu time spent up to now is 12.5 secs Computing kpt #: 151 total cpu time spent up to now is 12.6 secs Computing kpt #: 152 total cpu time spent up to now is 12.7 secs Computing kpt #: 153 total cpu time spent up to now is 12.7 secs Computing kpt #: 154 total cpu time spent up to now is 12.8 secs Computing kpt #: 155 total cpu time spent up to now is 12.9 secs Computing kpt #: 156 total cpu time spent up to now is 13.0 secs Computing kpt #: 157 total cpu time spent up to now is 13.0 secs Computing kpt #: 158 total cpu time spent up to now is 13.1 secs Computing kpt #: 159 total cpu time spent up to now is 13.2 secs Computing kpt #: 160 total cpu time spent up to now is 13.3 secs Computing kpt #: 161 total cpu time spent up to now is 13.3 secs Computing kpt #: 162 total cpu time spent up to now is 13.4 secs Computing kpt #: 163 total cpu time spent up to now is 13.5 secs Computing kpt #: 164 total cpu time spent up to now is 13.5 secs Computing kpt #: 165 total cpu time spent up to now is 13.6 secs Computing kpt #: 166 total cpu time spent up to now is 13.7 secs Computing kpt #: 167 total cpu time spent up to now is 13.7 secs Computing kpt #: 168 total cpu time spent up to now is 13.8 secs Computing kpt #: 169 total cpu time spent up to now is 13.9 secs Computing kpt #: 170 total cpu time spent up to now is 14.0 secs Computing kpt #: 171 total cpu time spent up to now is 14.0 secs Computing kpt #: 172 total cpu time spent up to now is 14.1 secs Computing kpt #: 173 total cpu time spent up to now is 14.2 secs Computing kpt #: 174 total cpu time spent up to now is 14.2 secs Computing kpt #: 175 total cpu time spent up to now is 14.3 secs Computing kpt #: 176 total cpu time spent up to now is 14.4 secs Computing kpt #: 177 total cpu time spent up to now is 14.4 secs Computing kpt #: 178 total cpu time spent up to now is 14.5 secs Computing kpt #: 179 total cpu time spent up to now is 14.6 secs Computing kpt #: 180 total cpu time spent up to now is 14.6 secs Computing kpt #: 181 total cpu time spent up to now is 14.7 secs Computing kpt #: 182 total cpu time spent up to now is 14.8 secs Computing kpt #: 183 total cpu time spent up to now is 14.8 secs Computing kpt #: 184 total cpu time spent up to now is 14.9 secs Computing kpt #: 185 total cpu time spent up to now is 15.0 secs Computing kpt #: 186 total cpu time spent up to now is 15.0 secs Computing kpt #: 187 total cpu time spent up to now is 15.1 secs Computing kpt #: 188 total cpu time spent up to now is 15.2 secs Computing kpt #: 189 total cpu time spent up to now is 15.2 secs Computing kpt #: 190 total cpu time spent up to now is 15.3 secs Computing kpt #: 191 total cpu time spent up to now is 15.4 secs Computing kpt #: 192 total cpu time spent up to now is 15.4 secs Computing kpt #: 193 total cpu time spent up to now is 15.5 secs Computing kpt #: 194 total cpu time spent up to now is 15.6 secs Computing kpt #: 195 total cpu time spent up to now is 15.6 secs Computing kpt #: 196 total cpu time spent up to now is 15.7 secs Computing kpt #: 197 total cpu time spent up to now is 15.8 secs Computing kpt #: 198 total cpu time spent up to now is 15.8 secs Computing kpt #: 199 total cpu time spent up to now is 15.9 secs Computing kpt #: 200 total cpu time spent up to now is 16.0 secs Computing kpt #: 201 total cpu time spent up to now is 16.0 secs Computing kpt #: 202 total cpu time spent up to now is 16.1 secs Computing kpt #: 203 total cpu time spent up to now is 16.2 secs Computing kpt #: 204 total cpu time spent up to now is 16.2 secs Computing kpt #: 205 total cpu time spent up to now is 16.3 secs Computing kpt #: 206 total cpu time spent up to now is 16.4 secs Computing kpt #: 207 total cpu time spent up to now is 16.4 secs Computing kpt #: 208 total cpu time spent up to now is 16.5 secs Computing kpt #: 209 total cpu time spent up to now is 16.6 secs Computing kpt #: 210 total cpu time spent up to now is 16.6 secs Computing kpt #: 211 total cpu time spent up to now is 16.7 secs Computing kpt #: 212 total cpu time spent up to now is 16.8 secs Computing kpt #: 213 total cpu time spent up to now is 16.8 secs Computing kpt #: 214 total cpu time spent up to now is 16.9 secs Computing kpt #: 215 total cpu time spent up to now is 17.0 secs Computing kpt #: 216 total cpu time spent up to now is 17.1 secs Computing kpt #: 217 total cpu time spent up to now is 17.2 secs Computing kpt #: 218 total cpu time spent up to now is 17.3 secs Computing kpt #: 219 total cpu time spent up to now is 17.4 secs Computing kpt #: 220 total cpu time spent up to now is 17.5 secs Computing kpt #: 221 total cpu time spent up to now is 17.6 secs Computing kpt #: 222 total cpu time spent up to now is 17.7 secs Computing kpt #: 223 total cpu time spent up to now is 17.8 secs Computing kpt #: 224 total cpu time spent up to now is 17.9 secs Computing kpt #: 225 total cpu time spent up to now is 18.0 secs Computing kpt #: 226 total cpu time spent up to now is 18.1 secs Computing kpt #: 227 total cpu time spent up to now is 18.2 secs Computing kpt #: 228 total cpu time spent up to now is 18.3 secs Computing kpt #: 229 total cpu time spent up to now is 18.4 secs Computing kpt #: 230 total cpu time spent up to now is 18.5 secs Computing kpt #: 231 total cpu time spent up to now is 18.6 secs Computing kpt #: 232 total cpu time spent up to now is 18.7 secs Computing kpt #: 233 total cpu time spent up to now is 18.8 secs Computing kpt #: 234 total cpu time spent up to now is 18.9 secs Computing kpt #: 235 total cpu time spent up to now is 19.0 secs Computing kpt #: 236 total cpu time spent up to now is 19.0 secs Computing kpt #: 237 total cpu time spent up to now is 19.1 secs Computing kpt #: 238 total cpu time spent up to now is 19.2 secs Computing kpt #: 239 total cpu time spent up to now is 19.3 secs Computing kpt #: 240 total cpu time spent up to now is 19.4 secs Computing kpt #: 241 total cpu time spent up to now is 19.5 secs Computing kpt #: 242 total cpu time spent up to now is 19.6 secs Computing kpt #: 243 total cpu time spent up to now is 19.7 secs Computing kpt #: 244 total cpu time spent up to now is 19.8 secs Computing kpt #: 245 total cpu time spent up to now is 19.8 secs Computing kpt #: 246 total cpu time spent up to now is 19.9 secs Computing kpt #: 247 total cpu time spent up to now is 20.0 secs Computing kpt #: 248 total cpu time spent up to now is 20.1 secs Computing kpt #: 249 total cpu time spent up to now is 20.2 secs Computing kpt #: 250 total cpu time spent up to now is 20.2 secs Computing kpt #: 251 total cpu time spent up to now is 20.4 secs Computing kpt #: 252 total cpu time spent up to now is 20.5 secs Computing kpt #: 253 total cpu time spent up to now is 20.5 secs Computing kpt #: 254 total cpu time spent up to now is 20.6 secs Computing kpt #: 255 total cpu time spent up to now is 20.7 secs Computing kpt #: 256 total cpu time spent up to now is 20.8 secs Computing kpt #: 257 total cpu time spent up to now is 20.9 secs Computing kpt #: 258 total cpu time spent up to now is 21.0 secs Computing kpt #: 259 total cpu time spent up to now is 21.1 secs Computing kpt #: 260 total cpu time spent up to now is 21.1 secs Computing kpt #: 261 total cpu time spent up to now is 21.2 secs Computing kpt #: 262 total cpu time spent up to now is 21.3 secs Computing kpt #: 263 total cpu time spent up to now is 21.4 secs Computing kpt #: 264 total cpu time spent up to now is 21.4 secs Computing kpt #: 265 total cpu time spent up to now is 21.5 secs Computing kpt #: 266 total cpu time spent up to now is 21.6 secs Computing kpt #: 267 total cpu time spent up to now is 21.7 secs Computing kpt #: 268 total cpu time spent up to now is 21.7 secs Computing kpt #: 269 total cpu time spent up to now is 21.8 secs Computing kpt #: 270 total cpu time spent up to now is 21.9 secs Computing kpt #: 271 total cpu time spent up to now is 21.9 secs Computing kpt #: 272 total cpu time spent up to now is 22.0 secs Computing kpt #: 273 total cpu time spent up to now is 22.1 secs Computing kpt #: 274 total cpu time spent up to now is 22.2 secs Computing kpt #: 275 total cpu time spent up to now is 22.3 secs Computing kpt #: 276 total cpu time spent up to now is 22.3 secs Computing kpt #: 277 total cpu time spent up to now is 22.4 secs Computing kpt #: 278 total cpu time spent up to now is 22.5 secs Computing kpt #: 279 total cpu time spent up to now is 22.5 secs Computing kpt #: 280 total cpu time spent up to now is 22.6 secs Computing kpt #: 281 total cpu time spent up to now is 22.7 secs Computing kpt #: 282 total cpu time spent up to now is 22.7 secs Computing kpt #: 283 total cpu time spent up to now is 22.8 secs Computing kpt #: 284 total cpu time spent up to now is 22.9 secs Computing kpt #: 285 total cpu time spent up to now is 22.9 secs Computing kpt #: 286 total cpu time spent up to now is 23.0 secs Computing kpt #: 287 total cpu time spent up to now is 23.1 secs Computing kpt #: 288 total cpu time spent up to now is 23.2 secs Computing kpt #: 289 total cpu time spent up to now is 23.2 secs Computing kpt #: 290 total cpu time spent up to now is 23.3 secs Computing kpt #: 291 total cpu time spent up to now is 23.4 secs Computing kpt #: 292 total cpu time spent up to now is 23.5 secs Computing kpt #: 293 total cpu time spent up to now is 23.5 secs Computing kpt #: 294 total cpu time spent up to now is 23.6 secs Computing kpt #: 295 total cpu time spent up to now is 23.7 secs Computing kpt #: 296 total cpu time spent up to now is 23.8 secs Computing kpt #: 297 total cpu time spent up to now is 23.8 secs Computing kpt #: 298 total cpu time spent up to now is 23.9 secs Computing kpt #: 299 total cpu time spent up to now is 24.0 secs Computing kpt #: 300 total cpu time spent up to now is 24.1 secs Computing kpt #: 301 total cpu time spent up to now is 24.2 secs Computing kpt #: 302 total cpu time spent up to now is 24.2 secs Computing kpt #: 303 total cpu time spent up to now is 24.3 secs Computing kpt #: 304 total cpu time spent up to now is 24.4 secs Computing kpt #: 305 total cpu time spent up to now is 24.5 secs Computing kpt #: 306 total cpu time spent up to now is 24.5 secs Computing kpt #: 307 total cpu time spent up to now is 24.6 secs Computing kpt #: 308 total cpu time spent up to now is 24.7 secs Computing kpt #: 309 total cpu time spent up to now is 24.8 secs Computing kpt #: 310 total cpu time spent up to now is 24.8 secs Computing kpt #: 311 total cpu time spent up to now is 24.9 secs Computing kpt #: 312 total cpu time spent up to now is 25.0 secs Computing kpt #: 313 total cpu time spent up to now is 25.1 secs Computing kpt #: 314 total cpu time spent up to now is 25.1 secs Computing kpt #: 315 total cpu time spent up to now is 25.2 secs Computing kpt #: 316 total cpu time spent up to now is 25.3 secs Computing kpt #: 317 total cpu time spent up to now is 25.4 secs Computing kpt #: 318 total cpu time spent up to now is 25.5 secs Computing kpt #: 319 total cpu time spent up to now is 25.6 secs Computing kpt #: 320 total cpu time spent up to now is 25.7 secs Computing kpt #: 321 total cpu time spent up to now is 25.8 secs Computing kpt #: 322 total cpu time spent up to now is 25.9 secs Computing kpt #: 323 total cpu time spent up to now is 25.9 secs Computing kpt #: 324 total cpu time spent up to now is 26.0 secs Computing kpt #: 325 total cpu time spent up to now is 26.1 secs Computing kpt #: 326 total cpu time spent up to now is 26.2 secs Computing kpt #: 327 total cpu time spent up to now is 26.3 secs Computing kpt #: 328 total cpu time spent up to now is 26.3 secs Computing kpt #: 329 total cpu time spent up to now is 26.4 secs Computing kpt #: 330 total cpu time spent up to now is 26.5 secs Computing kpt #: 331 total cpu time spent up to now is 26.6 secs Computing kpt #: 332 total cpu time spent up to now is 26.6 secs Computing kpt #: 333 total cpu time spent up to now is 26.7 secs Computing kpt #: 334 total cpu time spent up to now is 26.8 secs Computing kpt #: 335 total cpu time spent up to now is 26.8 secs Computing kpt #: 336 total cpu time spent up to now is 26.9 secs Computing kpt #: 337 total cpu time spent up to now is 27.0 secs Computing kpt #: 338 total cpu time spent up to now is 27.0 secs Computing kpt #: 339 total cpu time spent up to now is 27.1 secs Computing kpt #: 340 total cpu time spent up to now is 27.2 secs Computing kpt #: 341 total cpu time spent up to now is 27.3 secs Computing kpt #: 342 total cpu time spent up to now is 27.3 secs Computing kpt #: 343 total cpu time spent up to now is 27.4 secs Computing kpt #: 344 total cpu time spent up to now is 27.5 secs Computing kpt #: 345 total cpu time spent up to now is 27.5 secs Computing kpt #: 346 total cpu time spent up to now is 27.6 secs Computing kpt #: 347 total cpu time spent up to now is 27.7 secs Computing kpt #: 348 total cpu time spent up to now is 27.8 secs Computing kpt #: 349 total cpu time spent up to now is 27.8 secs Computing kpt #: 350 total cpu time spent up to now is 27.9 secs Computing kpt #: 351 total cpu time spent up to now is 28.0 secs Computing kpt #: 352 total cpu time spent up to now is 28.0 secs Computing kpt #: 353 total cpu time spent up to now is 28.1 secs Computing kpt #: 354 total cpu time spent up to now is 28.2 secs Computing kpt #: 355 total cpu time spent up to now is 28.2 secs Computing kpt #: 356 total cpu time spent up to now is 28.3 secs Computing kpt #: 357 total cpu time spent up to now is 28.4 secs Computing kpt #: 358 total cpu time spent up to now is 28.5 secs Computing kpt #: 359 total cpu time spent up to now is 28.5 secs Computing kpt #: 360 total cpu time spent up to now is 28.6 secs Computing kpt #: 361 total cpu time spent up to now is 28.7 secs Computing kpt #: 362 total cpu time spent up to now is 28.8 secs Computing kpt #: 363 total cpu time spent up to now is 28.9 secs Computing kpt #: 364 total cpu time spent up to now is 29.0 secs Computing kpt #: 365 total cpu time spent up to now is 29.1 secs Computing kpt #: 366 total cpu time spent up to now is 29.2 secs Computing kpt #: 367 total cpu time spent up to now is 29.3 secs Computing kpt #: 368 total cpu time spent up to now is 29.4 secs Computing kpt #: 369 total cpu time spent up to now is 29.4 secs Computing kpt #: 370 total cpu time spent up to now is 29.5 secs Computing kpt #: 371 total cpu time spent up to now is 29.6 secs Computing kpt #: 372 total cpu time spent up to now is 29.7 secs Computing kpt #: 373 total cpu time spent up to now is 29.8 secs Computing kpt #: 374 total cpu time spent up to now is 29.8 secs Computing kpt #: 375 total cpu time spent up to now is 29.9 secs Computing kpt #: 376 total cpu time spent up to now is 30.0 secs Computing kpt #: 377 total cpu time spent up to now is 30.1 secs Computing kpt #: 378 total cpu time spent up to now is 30.1 secs Computing kpt #: 379 total cpu time spent up to now is 30.2 secs Computing kpt #: 380 total cpu time spent up to now is 30.3 secs Computing kpt #: 381 total cpu time spent up to now is 30.4 secs Computing kpt #: 382 total cpu time spent up to now is 30.4 secs Computing kpt #: 383 total cpu time spent up to now is 30.5 secs Computing kpt #: 384 total cpu time spent up to now is 30.6 secs Computing kpt #: 385 total cpu time spent up to now is 30.6 secs Computing kpt #: 386 total cpu time spent up to now is 30.7 secs Computing kpt #: 387 total cpu time spent up to now is 30.8 secs Computing kpt #: 388 total cpu time spent up to now is 30.9 secs Computing kpt #: 389 total cpu time spent up to now is 30.9 secs Computing kpt #: 390 total cpu time spent up to now is 31.0 secs Computing kpt #: 391 total cpu time spent up to now is 31.1 secs Computing kpt #: 392 total cpu time spent up to now is 31.1 secs Computing kpt #: 393 total cpu time spent up to now is 31.2 secs Computing kpt #: 394 total cpu time spent up to now is 31.3 secs Computing kpt #: 395 total cpu time spent up to now is 31.3 secs Computing kpt #: 396 total cpu time spent up to now is 31.4 secs Computing kpt #: 397 total cpu time spent up to now is 31.5 secs Computing kpt #: 398 total cpu time spent up to now is 31.6 secs Computing kpt #: 399 total cpu time spent up to now is 31.7 secs Computing kpt #: 400 total cpu time spent up to now is 31.7 secs Computing kpt #: 401 total cpu time spent up to now is 31.8 secs Computing kpt #: 402 total cpu time spent up to now is 31.9 secs Computing kpt #: 403 total cpu time spent up to now is 31.9 secs Computing kpt #: 404 total cpu time spent up to now is 32.0 secs Computing kpt #: 405 total cpu time spent up to now is 32.1 secs Computing kpt #: 406 total cpu time spent up to now is 32.1 secs Computing kpt #: 407 total cpu time spent up to now is 32.2 secs Computing kpt #: 408 total cpu time spent up to now is 32.3 secs Computing kpt #: 409 total cpu time spent up to now is 32.4 secs Computing kpt #: 410 total cpu time spent up to now is 32.4 secs Computing kpt #: 411 total cpu time spent up to now is 32.5 secs Computing kpt #: 412 total cpu time spent up to now is 32.6 secs Computing kpt #: 413 total cpu time spent up to now is 32.6 secs Computing kpt #: 414 total cpu time spent up to now is 32.7 secs Computing kpt #: 415 total cpu time spent up to now is 32.8 secs Computing kpt #: 416 total cpu time spent up to now is 32.9 secs Computing kpt #: 417 total cpu time spent up to now is 32.9 secs Computing kpt #: 418 total cpu time spent up to now is 33.0 secs Computing kpt #: 419 total cpu time spent up to now is 33.1 secs Computing kpt #: 420 total cpu time spent up to now is 33.2 secs Computing kpt #: 421 total cpu time spent up to now is 33.3 secs Computing kpt #: 422 total cpu time spent up to now is 33.4 secs Computing kpt #: 423 total cpu time spent up to now is 33.5 secs Computing kpt #: 424 total cpu time spent up to now is 33.5 secs Computing kpt #: 425 total cpu time spent up to now is 33.6 secs Computing kpt #: 426 total cpu time spent up to now is 33.7 secs Computing kpt #: 427 total cpu time spent up to now is 33.8 secs Computing kpt #: 428 total cpu time spent up to now is 33.8 secs Computing kpt #: 429 total cpu time spent up to now is 33.9 secs Computing kpt #: 430 total cpu time spent up to now is 34.0 secs Computing kpt #: 431 total cpu time spent up to now is 34.1 secs Computing kpt #: 432 total cpu time spent up to now is 34.1 secs Computing kpt #: 433 total cpu time spent up to now is 34.2 secs Computing kpt #: 434 total cpu time spent up to now is 34.3 secs Computing kpt #: 435 total cpu time spent up to now is 34.4 secs Computing kpt #: 436 total cpu time spent up to now is 34.5 secs Computing kpt #: 437 total cpu time spent up to now is 34.5 secs Computing kpt #: 438 total cpu time spent up to now is 34.6 secs Computing kpt #: 439 total cpu time spent up to now is 34.7 secs Computing kpt #: 440 total cpu time spent up to now is 34.8 secs Computing kpt #: 441 total cpu time spent up to now is 34.9 secs Computing kpt #: 442 total cpu time spent up to now is 35.0 secs Computing kpt #: 443 total cpu time spent up to now is 35.1 secs Computing kpt #: 444 total cpu time spent up to now is 35.1 secs Computing kpt #: 445 total cpu time spent up to now is 35.2 secs Computing kpt #: 446 total cpu time spent up to now is 35.3 secs Computing kpt #: 447 total cpu time spent up to now is 35.3 secs Computing kpt #: 448 total cpu time spent up to now is 35.4 secs Computing kpt #: 449 total cpu time spent up to now is 35.5 secs Computing kpt #: 450 total cpu time spent up to now is 35.5 secs Computing kpt #: 451 total cpu time spent up to now is 35.6 secs Computing kpt #: 452 total cpu time spent up to now is 35.7 secs Computing kpt #: 453 total cpu time spent up to now is 35.7 secs Computing kpt #: 454 total cpu time spent up to now is 35.8 secs Computing kpt #: 455 total cpu time spent up to now is 35.9 secs Computing kpt #: 456 total cpu time spent up to now is 35.9 secs Computing kpt #: 457 total cpu time spent up to now is 36.0 secs Computing kpt #: 458 total cpu time spent up to now is 36.0 secs Computing kpt #: 459 total cpu time spent up to now is 36.1 secs Computing kpt #: 460 total cpu time spent up to now is 36.2 secs Computing kpt #: 461 total cpu time spent up to now is 36.2 secs Computing kpt #: 462 total cpu time spent up to now is 36.3 secs Computing kpt #: 463 total cpu time spent up to now is 36.4 secs Computing kpt #: 464 total cpu time spent up to now is 36.4 secs Computing kpt #: 465 total cpu time spent up to now is 36.5 secs Computing kpt #: 466 total cpu time spent up to now is 36.6 secs Computing kpt #: 467 total cpu time spent up to now is 36.6 secs ethr = 6.25E-08, avg # of iterations = 11.3 total cpu time spent up to now is 36.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 869 PWs) bands (ev): -42.6350 -42.6350 -16.7910 -16.7910 -8.9775 -8.9775 -8.9775 -8.9775 4.8048 4.8048 18.4201 18.4201 18.6585 18.6585 18.6585 18.6585 19.0407 19.0407 19.0407 19.0407 19.3314 19.3314 21.5698 21.5698 k = 0.0070-0.0041 0.0057 ( 869 PWs) bands (ev): -42.6350 -42.6350 -16.7912 -16.7912 -8.9781 -8.9781 -8.9778 -8.9778 4.8069 4.8069 18.4067 18.4067 18.6337 18.6337 18.6429 18.6429 19.0465 19.0465 19.0631 19.0631 19.3412 19.3412 21.5707 21.5707 k = 0.0141-0.0081 0.0115 ( 869 PWs) bands (ev): -42.6348 -42.6348 -16.7917 -16.7917 -8.9798 -8.9798 -8.9784 -8.9784 4.8131 4.8131 18.3686 18.3686 18.5682 18.5682 18.6015 18.6015 19.0571 19.0571 19.1206 19.1206 19.3715 19.3715 21.5733 21.5733 k = 0.0211-0.0122 0.0172 ( 869 PWs) bands (ev): -42.6346 -42.6346 -16.7926 -16.7926 -8.9826 -8.9826 -8.9796 -8.9796 4.8235 4.8235 18.3102 18.3102 18.4759 18.4759 18.5445 18.5445 19.0618 19.0618 19.1989 19.1989 19.4234 19.4234 21.5776 21.5776 k = 0.0282-0.0163 0.0230 ( 869 PWs) bands (ev): -42.6342 -42.6342 -16.7938 -16.7938 -8.9865 -8.9865 -8.9811 -8.9811 4.8380 4.8380 18.2323 18.2323 18.3695 18.3695 18.4795 18.4795 19.0554 19.0554 19.2896 19.2896 19.4943 19.4943 21.5837 21.5837 k = 0.0352-0.0203 0.0287 ( 869 PWs) bands (ev): -42.6338 -42.6338 -16.7953 -16.7953 -8.9915 -8.9915 -8.9832 -8.9832 4.8566 4.8566 18.1284 18.1284 18.2650 18.2650 18.4109 18.4109 19.0384 19.0384 19.3887 19.3887 19.5794 19.5794 21.5915 21.5915 k = 0.0423-0.0244 0.0345 ( 869 PWs) bands (ev): -42.6332 -42.6332 -16.7972 -16.7972 -8.9975 -8.9975 -8.9856 -8.9856 4.8792 4.8792 17.9940 17.9940 18.1739 18.1739 18.3413 18.3413 19.0124 19.0124 19.4938 19.4938 19.6749 19.6749 21.6011 21.6011 k = 0.0493-0.0285 0.0402 ( 869 PWs) bands (ev): -42.6326 -42.6326 -16.7994 -16.7994 -9.0046 -9.0046 -8.9885 -8.9885 4.9057 4.9057 17.8377 17.8377 18.0930 18.0930 18.2721 18.2721 18.9788 18.9788 19.6039 19.6039 19.7780 19.7780 21.6124 21.6124 k = 0.0563-0.0325 0.0460 ( 869 PWs) bands (ev): -42.6319 -42.6319 -16.8019 -16.8019 -9.0128 -9.0128 -8.9918 -8.9918 4.9361 4.9361 17.6684 17.6684 18.0176 18.0176 18.2041 18.2041 18.9387 18.9387 19.7181 19.7181 19.8870 19.8870 21.6255 21.6255 k = 0.0634-0.0366 0.0517 ( 869 PWs) bands (ev): -42.6311 -42.6311 -16.8048 -16.8048 -9.0219 -9.0219 -8.9955 -8.9955 4.9703 4.9703 17.4912 17.4912 17.9456 17.9456 18.1379 18.1379 18.8930 18.8930 19.8360 19.8360 20.0008 20.0008 21.6404 21.6404 k = 0.0704-0.0407 0.0575 ( 869 PWs) bands (ev): -42.6301 -42.6301 -16.8080 -16.8080 -9.0320 -9.0320 -8.9997 -8.9997 5.0082 5.0082 17.3092 17.3092 17.8764 17.8764 18.0738 18.0738 18.8422 18.8422 19.9570 19.9570 20.1187 20.1187 21.6571 21.6571 k = 0.0775-0.0447 0.0632 ( 869 PWs) bands (ev): -42.6291 -42.6291 -16.8115 -16.8115 -9.0430 -9.0430 -9.0044 -9.0044 5.0496 5.0496 17.1244 17.1244 17.8099 17.8099 18.0121 18.0121 18.7868 18.7868 20.0811 20.0811 20.2401 20.2401 21.6755 21.6755 k = 0.0845-0.0488 0.0690 ( 869 PWs) bands (ev): -42.6281 -42.6281 -16.8153 -16.8153 -9.0549 -9.0549 -9.0093 -9.0093 5.0945 5.0945 16.9383 16.9383 17.7459 17.7459 17.9529 17.9529 18.7274 18.7274 20.2079 20.2079 20.3647 20.3647 21.6958 21.6958 k = 0.0915-0.0529 0.0747 ( 865 PWs) bands (ev): -42.6269 -42.6269 -16.8192 -16.8192 -9.0676 -9.0676 -9.0147 -9.0147 5.1428 5.1428 16.7520 16.7520 17.6846 17.6846 17.8964 17.8964 18.6643 18.6643 20.3372 20.3372 20.4920 20.4920 21.7179 21.7179 k = 0.0986-0.0569 0.0805 ( 865 PWs) bands (ev): -42.6256 -42.6256 -16.8236 -16.8236 -9.0812 -9.0812 -9.0204 -9.0204 5.1941 5.1941 16.5665 16.5665 17.6260 17.6260 17.8426 17.8426 18.5979 18.5979 20.4689 20.4689 20.6219 20.6219 21.7419 21.7419 k = 0.1056-0.0610 0.0862 ( 865 PWs) bands (ev): -42.6243 -42.6243 -16.8282 -16.8282 -9.0957 -9.0957 -9.0264 -9.0264 5.2484 5.2484 16.3825 16.3825 17.5701 17.5701 17.7916 17.7916 18.5286 18.5286 20.6028 20.6028 20.7540 20.7540 21.7679 21.7679 k = 0.1127-0.0651 0.0920 ( 869 PWs) bands (ev): -42.6229 -42.6229 -16.8333 -16.8333 -9.1109 -9.1109 -9.0330 -9.0330 5.3055 5.3055 16.2008 16.2008 17.5170 17.5170 17.7434 17.7434 18.4568 18.4568 20.7388 20.7388 20.8881 20.8881 21.7959 21.7959 k = 0.1197-0.0691 0.0977 ( 861 PWs) bands (ev): -42.6214 -42.6214 -16.8382 -16.8382 -9.1265 -9.1265 -9.0396 -9.0396 5.3653 5.3653 16.0219 16.0219 17.4666 17.4666 17.6980 17.6980 18.3827 18.3827 20.8766 20.8766 21.0238 21.0238 21.8261 21.8261 k = 0.1268-0.0732 0.1035 ( 861 PWs) bands (ev): -42.6198 -42.6198 -16.8436 -16.8436 -9.1430 -9.1430 -9.0467 -9.0467 5.4274 5.4274 15.8462 15.8462 17.4190 17.4190 17.6554 17.6554 18.3068 18.3068 21.0162 21.0162 21.1607 21.1607 21.8587 21.8587 k = 0.1338-0.0773 0.1092 ( 869 PWs) bands (ev): -42.6182 -42.6182 -16.8495 -16.8495 -9.1605 -9.1605 -9.0541 -9.0541 5.4917 5.4917 15.6743 15.6743 17.3741 17.3741 17.6157 17.6157 18.2293 18.2293 21.1574 21.1574 21.2980 21.2980 21.8942 21.8942 k = 0.1408-0.0813 0.1150 ( 861 PWs) bands (ev): -42.6165 -42.6165 -16.8551 -16.8551 -9.1780 -9.1780 -9.0616 -9.0616 5.5579 5.5579 15.5066 15.5066 17.3320 17.3320 17.5787 17.5787 18.1505 18.1505 21.3000 21.3000 21.4349 21.4349 21.9334 21.9334 k = 0.1479-0.0854 0.1207 ( 861 PWs) bands (ev): -42.6147 -42.6147 -16.8612 -16.8612 -9.1962 -9.1962 -9.0695 -9.0695 5.6258 5.6258 15.3435 15.3435 17.2927 17.2927 17.5445 17.5445 18.0707 18.0707 21.4438 21.4438 21.5695 21.5695 21.9777 21.9777 k = 0.1549-0.0894 0.1265 ( 861 PWs) bands (ev): -42.6129 -42.6129 -16.8675 -16.8675 -9.2148 -9.2148 -9.0778 -9.0778 5.6950 5.6950 15.1854 15.1854 17.2561 17.2561 17.5130 17.5130 17.9902 17.9902 21.5887 21.5887 21.6986 21.6986 22.0304 22.0304 k = 0.1620-0.0935 0.1322 ( 853 PWs) bands (ev): -42.6110 -42.6110 -16.8737 -16.8737 -9.2336 -9.2336 -9.0861 -9.0861 5.7655 5.7655 15.0326 15.0326 17.2222 17.2222 17.4841 17.4841 17.9093 17.9093 21.7344 21.7344 21.8164 21.8164 22.0968 22.0968 k = 0.1690-0.0976 0.1380 ( 853 PWs) bands (ev): -42.6090 -42.6090 -16.8804 -16.8804 -9.2530 -9.2530 -9.0947 -9.0947 5.8366 5.8366 14.8855 14.8855 17.1911 17.1911 17.4576 17.4576 17.8284 17.8284 21.8809 21.8809 21.9155 21.9155 22.1843 22.1843 k = 0.1761-0.1016 0.1437 ( 853 PWs) bands (ev): -42.6071 -42.6071 -16.8872 -16.8872 -9.2727 -9.2727 -9.1036 -9.1036 5.9082 5.9082 14.7445 14.7445 17.1626 17.1626 17.4334 17.4334 17.7478 17.7478 21.9937 21.9937 22.0278 22.0278 22.2947 22.2947 k = 0.1831-0.1057 0.1495 ( 853 PWs) bands (ev): -42.6050 -42.6050 -16.8941 -16.8941 -9.2927 -9.2927 -9.1127 -9.1127 5.9799 5.9799 14.6099 14.6099 17.1368 17.1368 17.4110 17.4110 17.6680 17.6680 22.0569 22.0569 22.1749 22.1749 22.4218 22.4218 k = 0.1901-0.1098 0.1552 ( 853 PWs) bands (ev): -42.6030 -42.6030 -16.9012 -16.9012 -9.3128 -9.3128 -9.1220 -9.1220 6.0514 6.0514 14.4821 14.4821 17.1136 17.1136 17.3896 17.3896 17.5902 17.5902 22.1120 22.1120 22.3220 22.3220 22.5586 22.5586 k = 0.1972-0.1138 0.1610 ( 849 PWs) bands (ev): -42.6009 -42.6009 -16.9082 -16.9082 -9.3330 -9.3330 -9.1314 -9.1314 6.1224 6.1224 14.3614 14.3614 17.0929 17.0929 17.3668 17.3668 17.5167 17.5167 22.1632 22.1632 22.4689 22.4689 22.7004 22.7004 k = 0.2042-0.1179 0.1667 ( 849 PWs) bands (ev): -42.5987 -42.5987 -16.9155 -16.9155 -9.3534 -9.3534 -9.1409 -9.1409 6.1923 6.1923 14.2481 14.2481 17.0748 17.0748 17.3369 17.3369 17.4534 17.4534 22.2126 22.2126 22.6153 22.6153 22.8448 22.8448 k = 0.2113-0.1220 0.1725 ( 849 PWs) bands (ev): -42.5966 -42.5966 -16.9228 -16.9228 -9.3740 -9.3740 -9.1506 -9.1506 6.2609 6.2609 14.1427 14.1427 17.0592 17.0592 17.2900 17.2900 17.4102 17.4102 22.2613 22.2613 22.7609 22.7609 22.9904 22.9904 k = 0.2183-0.1260 0.1782 ( 849 PWs) bands (ev): -42.5944 -42.5944 -16.9302 -16.9302 -9.3945 -9.3945 -9.1604 -9.1604 6.3277 6.3277 14.0454 14.0454 17.0461 17.0461 17.2263 17.2263 17.3870 17.3870 22.3099 22.3099 22.9053 22.9053 23.1363 23.1363 k = 0.2254-0.1301 0.1840 ( 849 PWs) bands (ev): -42.5922 -42.5922 -16.9377 -16.9377 -9.4151 -9.4151 -9.1702 -9.1702 6.3925 6.3925 13.9566 13.9566 17.0353 17.0353 17.1549 17.1549 17.3749 17.3749 22.3587 22.3587 23.0484 23.0484 23.2818 23.2818 k = 0.2324-0.1342 0.1897 ( 849 PWs) bands (ev): -42.5899 -42.5899 -16.9452 -16.9452 -9.4356 -9.4356 -9.1801 -9.1801 6.4547 6.4547 13.8765 13.8765 17.0269 17.0269 17.0810 17.0810 17.3686 17.3686 22.4077 22.4077 23.1897 23.1897 23.4263 23.4263 k = 0.2394-0.1382 0.1955 ( 849 PWs) bands (ev): -42.5877 -42.5877 -16.9528 -16.9528 -9.4559 -9.4559 -9.1900 -9.1900 6.5140 6.5140 13.8055 13.8055 17.0066 17.0066 17.0207 17.0207 17.3661 17.3661 22.4571 22.4571 23.3290 23.3290 23.5695 23.5695 k = 0.2465-0.1423 0.2012 ( 849 PWs) bands (ev): -42.5854 -42.5854 -16.9603 -16.9603 -9.4762 -9.4762 -9.2000 -9.2000 6.5701 6.5701 13.7437 13.7437 16.9326 16.9326 17.0168 17.0168 17.3667 17.3667 22.5070 22.5070 23.4658 23.4658 23.7108 23.7108 k = 0.2535-0.1464 0.2070 ( 833 PWs) bands (ev): -42.5831 -42.5831 -16.9673 -16.9673 -9.4961 -9.4961 -9.2094 -9.2094 6.6226 6.6226 13.6915 13.6915 16.8595 16.8595 17.0151 17.0151 17.3698 17.3698 22.5572 22.5572 23.5999 23.5999 23.8498 23.8498 k = 0.2606-0.1504 0.2127 ( 833 PWs) bands (ev): -42.5809 -42.5809 -16.9749 -16.9749 -9.5160 -9.5160 -9.2193 -9.2193 6.6713 6.6713 13.6488 13.6488 16.7874 16.7874 17.0154 17.0154 17.3752 17.3752 22.6077 22.6077 23.7308 23.7308 23.9861 23.9861 k = 0.2676-0.1545 0.2185 ( 833 PWs) bands (ev): -42.5787 -42.5787 -16.9823 -16.9823 -9.5356 -9.5356 -9.2292 -9.2292 6.7159 6.7159 13.6160 13.6160 16.7167 16.7167 17.0177 17.0177 17.3828 17.3828 22.6585 22.6585 23.8582 23.8582 24.1192 24.1192 k = 0.2746-0.1586 0.2242 ( 833 PWs) bands (ev): -42.5764 -42.5764 -16.9898 -16.9898 -9.5550 -9.5550 -9.2390 -9.2390 6.7562 6.7562 13.5929 13.5929 16.6473 16.6473 17.0220 17.0220 17.3923 17.3923 22.7095 22.7095 23.9817 23.9817 24.2488 24.2488 k = 0.2817-0.1626 0.2300 ( 833 PWs) bands (ev): -42.5742 -42.5742 -16.9971 -16.9971 -9.5741 -9.5741 -9.2488 -9.2488 6.7921 6.7921 13.5796 13.5796 16.5795 16.5795 17.0281 17.0281 17.4036 17.4036 22.7607 22.7607 24.1010 24.1010 24.3745 24.3745 k = 0.2887-0.1667 0.2357 ( 833 PWs) bands (ev): -42.5720 -42.5720 -17.0044 -17.0044 -9.5928 -9.5928 -9.2584 -9.2584 6.8234 6.8234 13.5759 13.5759 16.5133 16.5133 17.0361 17.0361 17.4167 17.4167 22.8119 22.8119 24.2157 24.2157 24.4959 24.4959 k = 0.2958-0.1708 0.2415 ( 833 PWs) bands (ev): -42.5698 -42.5698 -17.0116 -17.0116 -9.6112 -9.6112 -9.2680 -9.2680 6.8502 6.8502 13.5818 13.5818 16.4487 16.4487 17.0457 17.0457 17.4313 17.4313 22.8631 22.8631 24.3255 24.3255 24.6125 24.6125 k = 0.3028-0.1748 0.2472 ( 833 PWs) bands (ev): -42.5677 -42.5677 -17.0187 -17.0187 -9.6291 -9.6291 -9.2774 -9.2774 6.8724 6.8724 13.5968 13.5968 16.3859 16.3859 17.0569 17.0569 17.4474 17.4474 22.9142 22.9142 24.4300 24.4300 24.7240 24.7240 k = 0.3099-0.1789 0.2530 ( 833 PWs) bands (ev): -42.5656 -42.5656 -17.0257 -17.0257 -9.6467 -9.6467 -9.2866 -9.2866 6.8903 6.8903 13.6208 13.6208 16.3249 16.3249 17.0696 17.0696 17.4648 17.4648 22.9650 22.9650 24.5290 24.5290 24.8302 24.8302 k = 0.3169-0.1830 0.2587 ( 837 PWs) bands (ev): -42.5635 -42.5635 -17.0326 -17.0326 -9.6639 -9.6639 -9.2957 -9.2957 6.9038 6.9038 13.6532 13.6532 16.2658 16.2658 17.0838 17.0838 17.4834 17.4834 23.0155 23.0155 24.6222 24.6222 24.9306 24.9306 k = 0.3239-0.1870 0.2645 ( 837 PWs) bands (ev): -42.5615 -42.5615 -17.0393 -17.0393 -9.6806 -9.6806 -9.3046 -9.3046 6.9133 6.9133 13.6937 13.6937 16.2086 16.2086 17.0992 17.0992 17.5031 17.5031 23.0655 23.0655 24.7095 24.7095 25.0251 25.0251 k = 0.3310-0.1911 0.2702 ( 837 PWs) bands (ev): -42.5595 -42.5595 -17.0459 -17.0459 -9.6967 -9.6967 -9.3133 -9.3133 6.9190 6.9190 13.7416 13.7416 16.1534 16.1534 17.1159 17.1159 17.5238 17.5238 23.1150 23.1150 24.7907 24.7907 25.1134 25.1134 k = 0.3380-0.1952 0.2760 ( 837 PWs) bands (ev): -42.5576 -42.5576 -17.0522 -17.0522 -9.7123 -9.7123 -9.3218 -9.3218 6.9212 6.9212 13.7964 13.7964 16.1001 16.1001 17.1337 17.1337 17.5452 17.5452 23.1638 23.1638 24.8656 24.8656 25.1955 25.1955 k = 0.3451-0.1992 0.2817 ( 837 PWs) bands (ev): -42.5557 -42.5557 -17.0584 -17.0584 -9.7274 -9.7274 -9.3300 -9.3300 6.9202 6.9202 13.8574 13.8574 16.0489 16.0489 17.1524 17.1524 17.5673 17.5673 23.2118 23.2118 24.9343 24.9343 25.2711 25.2711 k = 0.3521-0.2033 0.2875 ( 837 PWs) bands (ev): -42.5538 -42.5538 -17.0644 -17.0644 -9.7420 -9.7420 -9.3380 -9.3380 6.9162 6.9162 13.9238 13.9238 15.9998 15.9998 17.1721 17.1721 17.5899 17.5899 23.2589 23.2589 24.9967 24.9967 25.3403 25.3403 k = 0.3592-0.2074 0.2932 ( 838 PWs) bands (ev): -42.5520 -42.5520 -17.0702 -17.0702 -9.7560 -9.7560 -9.3457 -9.3457 6.9098 6.9098 13.9950 13.9950 15.9527 15.9527 17.1925 17.1925 17.6129 17.6129 23.3049 23.3049 25.0530 25.0530 25.4031 25.4031 k = 0.3662-0.2114 0.2990 ( 834 PWs) bands (ev): -42.5503 -42.5503 -17.0757 -17.0757 -9.7693 -9.7693 -9.3530 -9.3530 6.9011 6.9011 14.0701 14.0701 15.9078 15.9078 17.2136 17.2136 17.6361 17.6361 23.3498 23.3498 25.1033 25.1033 25.4597 25.4597 k = 0.3732-0.2155 0.3047 ( 838 PWs) bands (ev): -42.5487 -42.5487 -17.0811 -17.0811 -9.7823 -9.7823 -9.3602 -9.3602 6.8907 6.8907 14.1484 14.1484 15.8651 15.8651 17.2351 17.2351 17.6594 17.6594 23.3933 23.3933 25.1477 25.1477 25.5101 25.5101 k = 0.3803-0.2196 0.3105 ( 838 PWs) bands (ev): -42.5471 -42.5471 -17.0863 -17.0863 -9.7945 -9.7945 -9.3670 -9.3670 6.8788 6.8788 14.2290 14.2290 15.8245 15.8245 17.2570 17.2570 17.6826 17.6826 23.4354 23.4354 25.1866 25.1866 25.5547 25.5547 k = 0.3873-0.2236 0.3162 ( 830 PWs) bands (ev): -42.5456 -42.5456 -17.0909 -17.0909 -9.8058 -9.8058 -9.3735 -9.3735 6.8657 6.8657 14.3112 14.3112 15.7861 15.7861 17.2792 17.2792 17.7056 17.7056 23.4759 23.4759 25.2203 25.2203 25.5937 25.5937 k = 0.3944-0.2277 0.3220 ( 830 PWs) bands (ev): -42.5441 -42.5441 -17.0955 -17.0955 -9.8167 -9.8167 -9.3796 -9.3796 6.8518 6.8518 14.3939 14.3939 15.7500 15.7500 17.3014 17.3014 17.7281 17.7281 23.5148 23.5148 25.2491 25.2491 25.6275 25.6275 k = 0.4014-0.2318 0.3277 ( 830 PWs) bands (ev): -42.5428 -42.5428 -17.0999 -17.0999 -9.8269 -9.8269 -9.3855 -9.3855 6.8374 6.8374 14.4764 14.4764 15.7161 15.7161 17.3236 17.3236 17.7501 17.7501 23.5518 23.5518 25.2734 25.2734 25.6564 25.6564 k = 0.4085-0.2358 0.3335 ( 822 PWs) bands (ev): -42.5415 -42.5415 -17.1037 -17.1037 -9.8363 -9.8363 -9.3908 -9.3908 6.8228 6.8228 14.5580 14.5580 15.6845 15.6845 17.3455 17.3455 17.7714 17.7714 23.5868 23.5868 25.2935 25.2935 25.6808 25.6808 k = 0.4155-0.2399 0.3392 ( 822 PWs) bands (ev): -42.5403 -42.5403 -17.1076 -17.1076 -9.8453 -9.8453 -9.3959 -9.3959 6.8082 6.8082 14.6375 14.6375 15.6552 15.6552 17.3670 17.3670 17.7919 17.7919 23.6198 23.6198 25.3100 25.3100 25.7011 25.7011 k = 0.4225-0.2440 0.3450 ( 822 PWs) bands (ev): -42.5392 -42.5392 -17.1111 -17.1111 -9.8535 -9.8535 -9.4007 -9.4007 6.7939 6.7939 14.7143 14.7143 15.6281 15.6281 17.3879 17.3879 17.8113 17.8113 23.6507 23.6507 25.3231 25.3231 25.7179 25.7179 k = 0.4296-0.2480 0.3507 ( 818 PWs) bands (ev): -42.5382 -42.5382 -17.1142 -17.1142 -9.8609 -9.8609 -9.4050 -9.4050 6.7801 6.7801 14.7876 14.7876 15.6034 15.6034 17.4080 17.4080 17.8296 17.8296 23.6792 23.6792 25.3334 25.3334 25.7314 25.7314 k = 0.4366-0.2521 0.3565 ( 818 PWs) bands (ev): -42.5372 -42.5372 -17.1172 -17.1172 -9.8678 -9.8678 -9.4090 -9.4090 6.7671 6.7671 14.8565 14.8565 15.5810 15.5810 17.4271 17.4271 17.8466 17.8466 23.7053 23.7053 25.3413 25.3413 25.7422 25.7422 k = 0.4437-0.2561 0.3622 ( 818 PWs) bands (ev): -42.5364 -42.5364 -17.1199 -17.1199 -9.8739 -9.8739 -9.4125 -9.4125 6.7549 6.7549 14.9204 14.9204 15.5609 15.5609 17.4450 17.4450 17.8622 17.8622 23.7290 23.7290 25.3472 25.3472 25.7507 25.7507 k = 0.4507-0.2602 0.3680 ( 818 PWs) bands (ev): -42.5357 -42.5357 -17.1222 -17.1222 -9.8794 -9.8794 -9.4157 -9.4157 6.7438 6.7438 14.9785 14.9785 15.5432 15.5432 17.4615 17.4615 17.8763 17.8763 23.7501 23.7501 25.3514 25.3514 25.7571 25.7571 k = 0.4577-0.2643 0.3737 ( 822 PWs) bands (ev): -42.5350 -42.5350 -17.1244 -17.1244 -9.8842 -9.8842 -9.4185 -9.4185 6.7338 6.7338 15.0302 15.0302 15.5278 15.5278 17.4763 17.4763 17.8887 17.8887 23.7685 23.7685 25.3543 25.3543 25.7620 25.7620 k = 0.4648-0.2683 0.3795 ( 826 PWs) bands (ev): -42.5345 -42.5345 -17.1263 -17.1263 -9.8883 -9.8883 -9.4208 -9.4208 6.7252 6.7252 15.0749 15.0749 15.5148 15.5148 17.4893 17.4893 17.8994 17.8994 23.7843 23.7843 25.3561 25.3561 25.7655 25.7655 k = 0.4718-0.2724 0.3852 ( 834 PWs) bands (ev): -42.5341 -42.5341 -17.1279 -17.1279 -9.8917 -9.8917 -9.4230 -9.4230 6.7180 6.7180 15.1122 15.1122 15.5041 15.5041 17.5002 17.5002 17.9082 17.9082 23.7972 23.7972 25.3573 25.3573 25.7680 25.7680 k = 0.4789-0.2765 0.3910 ( 834 PWs) bands (ev): -42.5337 -42.5337 -17.1291 -17.1291 -9.8943 -9.8943 -9.4245 -9.4245 6.7124 6.7124 15.1417 15.1417 15.4958 15.4958 17.5089 17.5089 17.9152 17.9152 23.8074 23.8074 25.3579 25.3579 25.7697 25.7697 k = 0.4859-0.2805 0.3967 ( 834 PWs) bands (ev): -42.5335 -42.5335 -17.1298 -17.1298 -9.8961 -9.8961 -9.4256 -9.4256 6.7083 6.7083 15.1630 15.1630 15.4898 15.4898 17.5152 17.5152 17.9202 17.9202 23.8146 23.8146 25.3583 25.3583 25.7708 25.7708 k = 0.4930-0.2846 0.4025 ( 846 PWs) bands (ev): -42.5334 -42.5334 -17.1307 -17.1307 -9.8975 -9.8975 -9.4264 -9.4264 6.7058 6.7058 15.1758 15.1758 15.4863 15.4863 17.5190 17.5190 17.9232 17.9232 23.8190 23.8190 25.3584 25.3584 25.7714 25.7714 k = 0.5000-0.2887 0.4082 ( 846 PWs) bands (ev): -42.5333 -42.5333 -17.1309 -17.1309 -9.8979 -9.8979 -9.4266 -9.4266 6.7050 6.7050 15.1801 15.1801 15.4851 15.4851 17.5203 17.5203 17.9242 17.9242 23.8204 23.8204 25.3584 25.3584 25.7716 25.7716 k = 0.5000-0.2887 0.4082 ( 846 PWs) bands (ev): -42.5333 -42.5333 -17.1309 -17.1309 -9.8979 -9.8979 -9.4266 -9.4266 6.7050 6.7050 15.1801 15.1801 15.4851 15.4851 17.5203 17.5203 17.9242 17.9242 23.8204 23.8204 25.3584 25.3584 25.7716 25.7716 k = 0.5000-0.2807 0.4139 ( 846 PWs) bands (ev): -42.5333 -42.5333 -17.1309 -17.1309 -9.8977 -9.8977 -9.4269 -9.4269 6.7065 6.7065 15.1779 15.1779 15.4849 15.4849 17.5188 17.5188 17.9221 17.9221 23.8279 23.8279 25.3567 25.3567 25.7698 25.7698 k = 0.5000-0.2726 0.4196 ( 838 PWs) bands (ev): -42.5333 -42.5333 -17.1306 -17.1306 -9.8972 -9.8972 -9.4273 -9.4273 6.7110 6.7110 15.1712 15.1712 15.4842 15.4842 17.5129 17.5129 17.9170 17.9170 23.8499 23.8499 25.3516 25.3516 25.7644 25.7644 k = 0.5000-0.2646 0.4253 ( 834 PWs) bands (ev): -42.5333 -42.5333 -17.1305 -17.1305 -9.8964 -9.8964 -9.4283 -9.4283 6.7185 6.7185 15.1604 15.1604 15.4829 15.4829 17.4990 17.4990 17.9131 17.9131 23.8860 23.8860 25.3426 25.3426 25.7559 25.7559 k = 0.5000-0.2566 0.4309 ( 834 PWs) bands (ev): -42.5333 -42.5333 -17.1305 -17.1305 -9.8954 -9.8954 -9.4299 -9.4299 6.7290 6.7290 15.1458 15.1458 15.4811 15.4811 17.4722 17.4722 17.9158 17.9158 23.9350 23.9350 25.3293 25.3293 25.7446 25.7446 k = 0.5000-0.2486 0.4366 ( 834 PWs) bands (ev): -42.5333 -42.5333 -17.1305 -17.1305 -9.8942 -9.8942 -9.4318 -9.4318 6.7424 6.7424 15.1277 15.1277 15.4785 15.4785 17.4283 17.4283 17.9301 17.9301 23.9957 23.9957 25.3111 25.3111 25.7312 25.7312 k = 0.5000-0.2406 0.4423 ( 834 PWs) bands (ev): -42.5333 -42.5333 -17.1305 -17.1305 -9.8927 -9.8927 -9.4341 -9.4341 6.7586 6.7586 15.1067 15.1067 15.4752 15.4752 17.3660 17.3660 17.9584 17.9584 24.0663 24.0663 25.2872 25.2872 25.7167 25.7167 k = 0.5000-0.2325 0.4479 ( 834 PWs) bands (ev): -42.5333 -42.5333 -17.1304 -17.1304 -9.8910 -9.8910 -9.4369 -9.4369 6.7776 6.7776 15.0831 15.0831 15.4710 15.4710 17.2866 17.2866 18.0004 18.0004 24.1453 24.1453 25.2568 25.2568 25.7018 25.7018 k = 0.5000-0.2245 0.4536 ( 832 PWs) bands (ev): -42.5333 -42.5333 -17.1304 -17.1304 -9.8889 -9.8889 -9.4400 -9.4400 6.7994 6.7994 15.0576 15.0576 15.4660 15.4660 17.1928 17.1928 18.0545 18.0545 24.2307 24.2307 25.2192 25.2192 25.6874 25.6874 k = 0.5000-0.2165 0.4593 ( 832 PWs) bands (ev): -42.5333 -42.5333 -17.1303 -17.1303 -9.8867 -9.8867 -9.4435 -9.4435 6.8237 6.8237 15.0305 15.0305 15.4601 15.4601 17.0871 17.0871 18.1190 18.1190 24.3206 24.3206 25.1740 25.1740 25.6743 25.6743 k = 0.5000-0.2085 0.4649 ( 824 PWs) bands (ev): -42.5332 -42.5332 -17.1301 -17.1301 -9.8840 -9.8840 -9.4472 -9.4472 6.8506 6.8506 15.0023 15.0023 15.4533 15.4533 16.9720 16.9720 18.1927 18.1927 24.4131 24.4131 25.1211 25.1211 25.6628 25.6628 k = 0.5000-0.2005 0.4706 ( 824 PWs) bands (ev): -42.5332 -42.5332 -17.1300 -17.1300 -9.8813 -9.8813 -9.4515 -9.4515 6.8798 6.8798 14.9733 14.9733 15.4457 15.4457 16.8496 16.8496 18.2742 18.2742 24.5058 24.5058 25.0614 25.0614 25.6533 25.6533 k = 0.5000-0.1925 0.4763 ( 824 PWs) bands (ev): -42.5332 -42.5332 -17.1300 -17.1300 -9.8783 -9.8783 -9.4560 -9.4560 6.9113 6.9113 14.9438 14.9438 15.4373 15.4373 16.7217 16.7217 18.3629 18.3629 24.5950 24.5950 24.9971 24.9971 25.6457 25.6457 k = 0.5000-0.1844 0.4820 ( 830 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.8752 -9.8752 -9.4611 -9.4611 6.9447 6.9447 14.9141 14.9141 15.4282 15.4282 16.5897 16.5897 18.4581 18.4581 24.6716 24.6716 24.9365 24.9365 25.6401 25.6401 k = 0.5000-0.1764 0.4876 ( 830 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.8717 -9.8717 -9.4663 -9.4663 6.9802 6.9802 14.8845 14.8845 15.4184 15.4184 16.4552 16.4552 18.5590 18.5590 24.7046 24.7046 24.9098 24.9098 25.6363 25.6363 k = 0.5000-0.1684 0.4933 ( 830 PWs) bands (ev): -42.5332 -42.5332 -17.1301 -17.1301 -9.8681 -9.8681 -9.4717 -9.4717 7.0173 7.0173 14.8553 14.8553 15.4078 15.4078 16.3195 16.3195 18.6654 18.6654 24.6606 24.6606 24.9499 24.9499 25.6344 25.6344 k = 0.5000-0.1604 0.4990 ( 832 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.8643 -9.8643 -9.4774 -9.4774 7.0559 7.0559 14.8265 14.8265 15.3965 15.3965 16.1836 16.1836 18.7768 18.7768 24.5748 24.5748 25.0211 25.0211 25.6343 25.6343 k = 0.5000-0.1524 0.5046 ( 834 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.8603 -9.8603 -9.4833 -9.4833 7.0957 7.0957 14.7983 14.7983 15.3842 15.3842 16.0489 16.0489 18.8929 18.8929 24.4725 24.4725 25.0980 25.0980 25.6362 25.6362 k = 0.5000-0.1443 0.5103 ( 834 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.8561 -9.8561 -9.4893 -9.4893 7.1366 7.1366 14.7710 14.7710 15.3708 15.3708 15.9166 15.9166 19.0133 19.0133 24.3604 24.3604 25.1732 25.1732 25.6405 25.6405 k = 0.5000-0.1363 0.5160 ( 834 PWs) bands (ev): -42.5332 -42.5332 -17.1301 -17.1301 -9.8518 -9.8518 -9.4955 -9.4955 7.1782 7.1782 14.7444 14.7444 15.3556 15.3556 15.7884 15.7884 19.1377 19.1377 24.2410 24.2410 25.2440 25.2440 25.6476 25.6476 k = 0.5000-0.1283 0.5217 ( 838 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.8474 -9.8474 -9.5019 -9.5019 7.2203 7.2203 14.7188 14.7188 15.3370 15.3370 15.6666 15.6666 19.2660 19.2660 24.1154 24.1154 25.3085 25.3085 25.6584 25.6584 k = 0.5000-0.1203 0.5273 ( 838 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.8429 -9.8429 -9.5083 -9.5083 7.2625 7.2625 14.6941 14.6941 15.3112 15.3112 15.5561 15.5561 19.3978 19.3978 23.9844 23.9844 25.3650 25.3650 25.6741 25.6741 k = 0.5000-0.1123 0.5330 ( 836 PWs) bands (ev): -42.5332 -42.5332 -17.1301 -17.1301 -9.8382 -9.8382 -9.5146 -9.5146 7.3045 7.3045 14.6703 14.6703 15.2697 15.2697 15.4663 15.4663 19.5331 19.5331 23.8486 23.8486 25.4123 25.4123 25.6958 25.6958 k = 0.5000-0.1042 0.5387 ( 836 PWs) bands (ev): -42.5332 -42.5332 -17.1300 -17.1300 -9.8335 -9.8335 -9.5210 -9.5210 7.3459 7.3459 14.6472 14.6472 15.2034 15.2034 15.4070 15.4070 19.6714 19.6714 23.7084 23.7084 25.4495 25.4495 25.7239 25.7239 k = 0.5000-0.0962 0.5443 ( 832 PWs) bands (ev): -42.5332 -42.5332 -17.1299 -17.1299 -9.8288 -9.8288 -9.5272 -9.5272 7.3865 7.3865 14.6249 14.6249 15.1185 15.1185 15.3731 15.3731 19.8127 19.8127 23.5644 23.5644 25.4772 25.4772 25.7579 25.7579 k = 0.5000-0.0882 0.5500 ( 832 PWs) bands (ev): -42.5332 -42.5332 -17.1298 -17.1298 -9.8242 -9.8242 -9.5334 -9.5334 7.4258 7.4258 14.6028 14.6028 15.0286 15.0286 15.3520 15.3520 19.9568 19.9568 23.4169 23.4169 25.4972 25.4972 25.7959 25.7959 k = 0.5000-0.0802 0.5557 ( 836 PWs) bands (ev): -42.5332 -42.5332 -17.1299 -17.1299 -9.8198 -9.8198 -9.5395 -9.5395 7.4634 7.4634 14.5808 14.5808 14.9417 14.9417 15.3368 15.3368 20.1035 20.1035 23.2664 23.2664 25.5114 25.5114 25.8357 25.8357 k = 0.5000-0.0722 0.5613 ( 836 PWs) bands (ev): -42.5332 -42.5332 -17.1299 -17.1299 -9.8154 -9.8154 -9.5452 -9.5452 7.4990 7.4990 14.5579 14.5579 14.8618 14.8618 15.3249 15.3249 20.2526 20.2526 23.1133 23.1133 25.5216 25.5216 25.8756 25.8756 k = 0.5000-0.0642 0.5670 ( 844 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.8114 -9.8114 -9.5508 -9.5508 7.5322 7.5322 14.5335 14.5335 14.7916 14.7916 15.3150 15.3150 20.4038 20.4038 22.9579 22.9579 25.5291 25.5291 25.9139 25.9139 k = 0.5000-0.0561 0.5727 ( 844 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.8075 -9.8075 -9.5559 -9.5559 7.5625 7.5625 14.5066 14.5066 14.7331 14.7331 15.3066 15.3066 20.5571 20.5571 22.8005 22.8005 25.5346 25.5346 25.9498 25.9498 k = 0.5000-0.0481 0.5784 ( 844 PWs) bands (ev): -42.5332 -42.5332 -17.1301 -17.1301 -9.8039 -9.8039 -9.5605 -9.5605 7.5897 7.5897 14.4771 14.4771 14.6871 14.6871 15.2995 15.2995 20.7122 20.7122 22.6416 22.6416 25.5388 25.5388 25.9824 25.9824 k = 0.5000-0.0401 0.5840 ( 840 PWs) bands (ev): -42.5332 -42.5332 -17.1300 -17.1300 -9.8006 -9.8006 -9.5644 -9.5644 7.6133 7.6133 14.4463 14.4463 14.6532 14.6532 15.2936 15.2936 20.8690 20.8690 22.4813 22.4813 25.5419 25.5419 26.0111 26.0111 k = 0.5000-0.0321 0.5897 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.7979 -9.7979 -9.5682 -9.5682 7.6330 7.6330 14.4165 14.4165 14.6292 14.6292 15.2888 15.2888 21.0272 21.0272 22.3202 22.3202 25.5443 25.5443 26.0353 26.0353 k = 0.5000-0.0241 0.5954 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.7957 -9.7957 -9.5710 -9.5710 7.6487 7.6487 14.3908 14.3908 14.6128 14.6128 15.2851 15.2851 21.1866 21.1866 22.1583 22.1583 25.5459 25.5459 26.0547 26.0547 k = 0.5000-0.0160 0.6010 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.7940 -9.7940 -9.5730 -9.5730 7.6601 7.6601 14.3710 14.3710 14.6023 14.6023 15.2825 15.2825 21.3469 21.3469 21.9962 21.9962 25.5471 25.5471 26.0688 26.0688 k = 0.5000-0.0080 0.6067 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.7930 -9.7930 -9.5743 -9.5743 7.6670 7.6670 14.3586 14.3586 14.5963 14.5963 15.2809 15.2809 21.5077 21.5077 21.8343 21.8343 25.5478 25.5478 26.0774 26.0774 k = 0.5000 0.0000 0.6124 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.7927 -9.7927 -9.5747 -9.5747 7.6693 7.6693 14.3544 14.3544 14.5944 14.5944 15.2804 15.2804 21.6512 21.6512 21.6904 21.6904 25.5480 25.5480 26.0803 26.0803 k = 0.5000 0.0000 0.6124 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.7927 -9.7927 -9.5747 -9.5747 7.6693 7.6693 14.3544 14.3544 14.5944 14.5944 15.2804 15.2804 21.6512 21.6512 21.6904 21.6904 25.5480 25.5480 26.0803 26.0803 k = 0.4950 0.0087 0.6124 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.7930 -9.7930 -9.5742 -9.5742 7.6688 7.6688 14.3494 14.3494 14.6000 14.6000 15.2813 15.2813 21.5520 21.5520 21.7894 21.7894 25.5470 25.5470 26.0821 26.0821 k = 0.4900 0.0173 0.6124 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1300 -17.1300 -9.7939 -9.7939 -9.5727 -9.5727 7.6672 7.6672 14.3352 14.3352 14.6159 14.6159 15.2843 15.2843 21.4346 21.4346 21.9059 21.9059 25.5439 25.5439 26.0883 26.0883 k = 0.4850 0.0260 0.6124 ( 848 PWs) bands (ev): -42.5334 -42.5334 -17.1299 -17.1299 -9.7955 -9.7955 -9.5702 -9.5702 7.6646 7.6646 14.3140 14.3140 14.6397 14.6397 15.2894 15.2894 21.3158 21.3158 22.0231 22.0231 25.5385 25.5385 26.0997 26.0997 k = 0.4800 0.0346 0.6124 ( 850 PWs) bands (ev): -42.5334 -42.5334 -17.1298 -17.1298 -9.7975 -9.7975 -9.5670 -9.5670 7.6610 7.6610 14.2882 14.2882 14.6689 14.6689 15.2971 15.2971 21.1959 21.1959 22.1407 22.1407 25.5309 25.5309 26.1168 26.1168 k = 0.4750 0.0433 0.6124 ( 846 PWs) bands (ev): -42.5335 -42.5335 -17.1294 -17.1294 -9.8000 -9.8000 -9.5629 -9.5629 7.6567 7.6567 14.2597 14.2597 14.7013 14.7013 15.3075 15.3075 21.0752 21.0752 22.2584 22.2584 25.5207 25.5207 26.1401 26.1401 k = 0.4700 0.0520 0.6124 ( 844 PWs) bands (ev): -42.5336 -42.5336 -17.1291 -17.1291 -9.8029 -9.8029 -9.5581 -9.5581 7.6515 7.6515 14.2297 14.2297 14.7355 14.7355 15.3211 15.3211 20.9539 20.9539 22.3762 22.3762 25.5079 25.5079 26.1696 26.1696 k = 0.4650 0.0606 0.6124 ( 842 PWs) bands (ev): -42.5337 -42.5337 -17.1287 -17.1287 -9.8061 -9.8061 -9.5530 -9.5530 7.6457 7.6457 14.1989 14.1989 14.7701 14.7701 15.3381 15.3381 20.8322 20.8322 22.4938 22.4938 25.4921 25.4921 26.2055 26.2055 k = 0.4600 0.0693 0.6124 ( 843 PWs) bands (ev): -42.5338 -42.5338 -17.1284 -17.1284 -9.8096 -9.8096 -9.5475 -9.5475 7.6393 7.6393 14.1680 14.1680 14.8041 14.8041 15.3591 15.3591 20.7106 20.7106 22.6113 22.6113 25.4733 25.4733 26.2477 26.2477 k = 0.4550 0.0779 0.6124 ( 843 PWs) bands (ev): -42.5340 -42.5340 -17.1281 -17.1281 -9.8132 -9.8132 -9.5417 -9.5417 7.6324 7.6324 14.1373 14.1373 14.8368 14.8368 15.3843 15.3843 20.5895 20.5895 22.7285 22.7285 25.4511 25.4511 26.2959 26.2959 k = 0.4500 0.0866 0.6124 ( 835 PWs) bands (ev): -42.5341 -42.5341 -17.1275 -17.1275 -9.8167 -9.8167 -9.5355 -9.5355 7.6252 7.6252 14.1073 14.1073 14.8673 14.8673 15.4139 15.4139 20.4694 20.4694 22.8453 22.8453 25.4253 25.4253 26.3499 26.3499 k = 0.4450 0.0953 0.6124 ( 835 PWs) bands (ev): -42.5342 -42.5342 -17.1271 -17.1271 -9.8204 -9.8204 -9.5295 -9.5295 7.6178 7.6178 14.0781 14.0781 14.8950 14.8950 15.4479 15.4479 20.3509 20.3509 22.9615 22.9615 25.3958 25.3958 26.4091 26.4091 k = 0.4400 0.1039 0.6124 ( 839 PWs) bands (ev): -42.5344 -42.5344 -17.1269 -17.1269 -9.8241 -9.8241 -9.5236 -9.5236 7.6102 7.6102 14.0501 14.0501 14.9199 14.9199 15.4859 15.4859 20.2345 20.2345 23.0769 23.0769 25.3625 25.3625 26.4731 26.4731 k = 0.4350 0.1126 0.6124 ( 839 PWs) bands (ev): -42.5345 -42.5345 -17.1266 -17.1266 -9.8276 -9.8276 -9.5178 -9.5178 7.6026 7.6026 14.0234 14.0234 14.9416 14.9416 15.5276 15.5276 20.1211 20.1211 23.1914 23.1914 25.3251 25.3251 26.5412 26.5412 k = 0.4300 0.1212 0.6124 ( 837 PWs) bands (ev): -42.5346 -42.5346 -17.1262 -17.1262 -9.8310 -9.8310 -9.5120 -9.5120 7.5951 7.5951 13.9982 13.9982 14.9605 14.9605 15.5720 15.5720 20.0113 20.0113 23.3048 23.3048 25.2837 25.2837 26.6128 26.6128 k = 0.4250 0.1299 0.6124 ( 833 PWs) bands (ev): -42.5347 -42.5347 -17.1257 -17.1257 -9.8341 -9.8341 -9.5065 -9.5065 7.5878 7.5878 13.9748 13.9748 14.9766 14.9766 15.6184 15.6184 19.9061 19.9061 23.4168 23.4168 25.2382 25.2382 26.6871 26.6871 k = 0.4200 0.1386 0.6124 ( 833 PWs) bands (ev): -42.5349 -42.5349 -17.1254 -17.1254 -9.8370 -9.8370 -9.5014 -9.5014 7.5809 7.5809 13.9531 13.9531 14.9903 14.9903 15.6655 15.6655 19.8062 19.8062 23.5271 23.5271 25.1888 25.1888 26.7631 26.7631 k = 0.4150 0.1472 0.6124 ( 833 PWs) bands (ev): -42.5350 -42.5350 -17.1252 -17.1252 -9.8398 -9.8398 -9.4967 -9.4967 7.5744 7.5744 13.9334 13.9334 15.0018 15.0018 15.7122 15.7122 19.7127 19.7127 23.6353 23.6353 25.1354 25.1354 26.8400 26.8400 k = 0.4100 0.1559 0.6124 ( 835 PWs) bands (ev): -42.5351 -42.5351 -17.1250 -17.1250 -9.8423 -9.8423 -9.4925 -9.4925 7.5684 7.5684 13.9158 13.9158 15.0113 15.0113 15.7574 15.7574 19.6266 19.6266 23.7411 23.7411 25.0786 25.0786 26.9168 26.9168 k = 0.4050 0.1645 0.6124 ( 835 PWs) bands (ev): -42.5352 -42.5352 -17.1247 -17.1247 -9.8445 -9.8445 -9.4887 -9.4887 7.5630 7.5630 13.9003 13.9003 15.0192 15.0192 15.7999 15.7999 19.5490 19.5490 23.8437 23.8437 25.0186 25.0186 26.9924 26.9924 k = 0.4000 0.1732 0.6124 ( 832 PWs) bands (ev): -42.5352 -42.5352 -17.1245 -17.1245 -9.8463 -9.8463 -9.4854 -9.4854 7.5583 7.5583 13.8871 13.8871 15.0257 15.0257 15.8384 15.8384 19.4809 19.4809 23.9422 23.9422 24.9563 24.9563 27.0654 27.0654 k = 0.3950 0.1819 0.6124 ( 832 PWs) bands (ev): -42.5353 -42.5353 -17.1243 -17.1243 -9.8479 -9.8479 -9.4827 -9.4827 7.5544 7.5544 13.8762 13.8762 15.0307 15.0307 15.8718 15.8718 19.4234 19.4234 24.0353 24.0353 24.8931 24.8931 27.1345 27.1345 k = 0.3900 0.1905 0.6124 ( 831 PWs) bands (ev): -42.5353 -42.5353 -17.1241 -17.1241 -9.8492 -9.8492 -9.4804 -9.4804 7.5513 7.5513 13.8676 13.8676 15.0345 15.0345 15.8990 15.8990 19.3775 19.3775 24.1204 24.1204 24.8313 24.8313 27.1978 27.1978 k = 0.3850 0.1992 0.6124 ( 831 PWs) bands (ev): -42.5354 -42.5354 -17.1241 -17.1241 -9.8500 -9.8500 -9.4789 -9.4789 7.5490 7.5490 13.8615 13.8615 15.0372 15.0372 15.9192 15.9192 19.3440 19.3440 24.1930 24.1930 24.7754 24.7754 27.2522 27.2522 k = 0.3800 0.2078 0.6124 ( 831 PWs) bands (ev): -42.5354 -42.5354 -17.1240 -17.1240 -9.8506 -9.8506 -9.4779 -9.4779 7.5477 7.5477 13.8578 13.8578 15.0388 15.0388 15.9316 15.9316 19.3236 19.3236 24.2449 24.2449 24.7335 24.7335 27.2921 27.2921 k = 0.3750 0.2165 0.6124 ( 834 PWs) bands (ev): -42.5354 -42.5354 -17.1241 -17.1241 -9.8508 -9.8508 -9.4777 -9.4777 7.5472 7.5472 13.8566 13.8566 15.0393 15.0393 15.9357 15.9357 19.3168 19.3168 24.2643 24.2643 24.7174 24.7174 27.3076 27.3076 k = 0.3750 0.2165 0.6124 ( 834 PWs) bands (ev): -42.5354 -42.5354 -17.1241 -17.1241 -9.8508 -9.8508 -9.4777 -9.4777 7.5472 7.5472 13.8566 13.8566 15.0393 15.0393 15.9357 15.9357 19.3168 19.3168 24.2643 24.2643 24.7174 24.7174 27.3076 27.3076 k = 0.3700 0.2136 0.6042 ( 832 PWs) bands (ev): -42.5358 -42.5358 -17.1230 -17.1230 -9.8497 -9.8497 -9.4756 -9.4756 7.6039 7.6039 13.7578 13.7578 15.0162 15.0162 15.8531 15.8531 19.4665 19.4665 24.1789 24.1789 24.6508 24.6508 27.4279 27.4279 k = 0.3650 0.2107 0.5960 ( 832 PWs) bands (ev): -42.5361 -42.5361 -17.1219 -17.1219 -9.8488 -9.8488 -9.4727 -9.4727 7.6607 7.6607 13.6584 13.6584 14.9941 14.9941 15.7729 15.7729 19.6222 19.6222 24.0912 24.0912 24.5828 24.5828 27.3593 27.3593 k = 0.3600 0.2078 0.5879 ( 832 PWs) bands (ev): -42.5366 -42.5366 -17.1207 -17.1207 -9.8481 -9.8481 -9.4691 -9.4691 7.7175 7.7175 13.5589 13.5589 14.9727 14.9727 15.6953 15.6953 19.7836 19.7836 24.0015 24.0015 24.5133 24.5133 27.2834 27.2834 k = 0.3550 0.2050 0.5797 ( 828 PWs) bands (ev): -42.5370 -42.5370 -17.1192 -17.1192 -9.8473 -9.8473 -9.4648 -9.4648 7.7739 7.7739 13.4598 13.4598 14.9523 14.9523 15.6207 15.6207 19.9505 19.9505 23.9098 23.9098 24.4426 24.4426 27.2051 27.2051 k = 0.3500 0.2021 0.5715 ( 828 PWs) bands (ev): -42.5375 -42.5375 -17.1177 -17.1177 -9.8467 -9.8467 -9.4598 -9.4598 7.8295 7.8295 13.3617 13.3617 14.9327 14.9327 15.5492 15.5492 20.1226 20.1226 23.8165 23.8165 24.3706 24.3706 27.1249 27.1249 k = 0.3450 0.1992 0.5634 ( 828 PWs) bands (ev): -42.5381 -42.5381 -17.1161 -17.1161 -9.8461 -9.8461 -9.4541 -9.4541 7.8841 7.8841 13.2651 13.2651 14.9140 14.9140 15.4811 15.4811 20.2996 20.2996 23.7216 23.7216 24.2975 24.2975 27.0430 27.0430 k = 0.3400 0.1963 0.5552 ( 826 PWs) bands (ev): -42.5387 -42.5387 -17.1142 -17.1142 -9.8454 -9.8454 -9.4478 -9.4478 7.9372 7.9372 13.1706 13.1706 14.8961 14.8961 15.4165 15.4165 20.4812 20.4812 23.6254 23.6254 24.2234 24.2234 26.9597 26.9597 k = 0.3350 0.1934 0.5471 ( 832 PWs) bands (ev): -42.5393 -42.5393 -17.1125 -17.1125 -9.8447 -9.8447 -9.4410 -9.4410 7.9883 7.9883 13.0787 13.0787 14.8788 14.8788 15.3558 15.3558 20.6672 20.6672 23.5280 23.5280 24.1482 24.1482 26.8751 26.8751 k = 0.3300 0.1905 0.5389 ( 830 PWs) bands (ev): -42.5400 -42.5400 -17.1104 -17.1104 -9.8437 -9.8437 -9.4335 -9.4335 8.0373 8.0373 12.9902 12.9902 14.8623 14.8623 15.2991 15.2991 20.8571 20.8571 23.4296 23.4296 24.0722 24.0722 26.7894 26.7894 k = 0.3250 0.1876 0.5307 ( 834 PWs) bands (ev): -42.5408 -42.5408 -17.1083 -17.1083 -9.8426 -9.8426 -9.4256 -9.4256 8.0833 8.0833 12.9056 12.9056 14.8462 14.8462 15.2468 15.2468 21.0505 21.0505 23.3304 23.3304 23.9953 23.9953 26.7028 26.7028 k = 0.3200 0.1848 0.5226 ( 834 PWs) bands (ev): -42.5416 -42.5416 -17.1058 -17.1058 -9.8411 -9.8411 -9.4171 -9.4171 8.1259 8.1259 12.8255 12.8255 14.8305 14.8305 15.1992 15.1992 21.2470 21.2470 23.2304 23.2304 23.9177 23.9177 26.6153 26.6153 k = 0.3150 0.1819 0.5144 ( 834 PWs) bands (ev): -42.5425 -42.5425 -17.1032 -17.1032 -9.8393 -9.8393 -9.4083 -9.4083 8.1648 8.1648 12.7507 12.7507 14.8149 14.8149 15.1566 15.1566 21.4460 21.4460 23.1299 23.1299 23.8395 23.8395 26.5272 26.5272 k = 0.3100 0.1790 0.5062 ( 840 PWs) bands (ev): -42.5434 -42.5434 -17.1007 -17.1007 -9.8371 -9.8371 -9.3991 -9.3991 8.1991 8.1991 12.6817 12.6817 14.7994 14.7994 15.1194 15.1194 21.6469 21.6469 23.0291 23.0291 23.7608 23.7608 26.4386 26.4386 k = 0.3050 0.1761 0.4981 ( 840 PWs) bands (ev): -42.5444 -42.5444 -17.0977 -17.0977 -9.8344 -9.8344 -9.3895 -9.3895 8.2285 8.2285 12.6193 12.6193 14.7838 14.7838 15.0876 15.0876 21.8489 21.8489 22.9281 22.9281 23.6818 23.6818 26.3496 26.3496 k = 0.3000 0.1732 0.4899 ( 840 PWs) bands (ev): -42.5454 -42.5454 -17.0946 -17.0946 -9.8312 -9.8312 -9.3796 -9.3796 8.2524 8.2524 12.5641 12.5641 14.7681 14.7681 15.0616 15.0616 22.0510 22.0510 22.8272 22.8272 23.6026 23.6026 26.2604 26.2604 k = 0.2950 0.1703 0.4817 ( 844 PWs) bands (ev): -42.5465 -42.5465 -17.0914 -17.0914 -9.8276 -9.8276 -9.3695 -9.3695 8.2702 8.2702 12.5167 12.5167 14.7524 14.7524 15.0413 15.0413 22.2514 22.2514 22.7272 22.7272 23.5236 23.5236 26.1712 26.1712 k = 0.2900 0.1674 0.4736 ( 844 PWs) bands (ev): -42.5476 -42.5476 -17.0878 -17.0878 -9.8233 -9.8233 -9.3591 -9.3591 8.2815 8.2815 12.4777 12.4777 14.7370 14.7370 15.0265 15.0265 22.4442 22.4442 22.6325 22.6325 23.4455 23.4455 26.0823 26.0823 k = 0.2850 0.1645 0.4654 ( 844 PWs) bands (ev): -42.5488 -42.5488 -17.0841 -17.0841 -9.8184 -9.8184 -9.3485 -9.3485 8.2858 8.2858 12.4475 12.4475 14.7222 14.7222 15.0169 15.0169 22.5068 22.5068 22.6631 22.6631 23.3698 23.3698 25.9937 25.9937 k = 0.2800 0.1617 0.4572 ( 845 PWs) bands (ev): -42.5501 -42.5501 -17.0802 -17.0802 -9.8128 -9.8128 -9.3378 -9.3378 8.2828 8.2828 12.4266 12.4266 14.7087 14.7087 15.0122 15.0122 22.4147 22.4147 22.8377 22.8377 23.3009 23.3009 25.9057 25.9057 k = 0.2750 0.1588 0.4491 ( 837 PWs) bands (ev): -42.5514 -42.5514 -17.0758 -17.0758 -9.8063 -9.8063 -9.3269 -9.3269 8.2723 8.2723 12.4153 12.4153 14.6968 14.6968 15.0120 15.0120 22.3159 22.3159 22.9862 22.9862 23.2596 23.2596 25.8187 25.8187 k = 0.2700 0.1559 0.4409 ( 837 PWs) bands (ev): -42.5527 -42.5527 -17.0714 -17.0714 -9.7994 -9.7994 -9.3160 -9.3160 8.2543 8.2543 12.4137 12.4137 14.6869 14.6869 15.0158 15.0158 22.2166 22.2166 23.0310 23.0310 23.3152 23.3152 25.7330 25.7330 k = 0.2650 0.1530 0.4327 ( 839 PWs) bands (ev): -42.5542 -42.5542 -17.0670 -17.0670 -9.7918 -9.7918 -9.3050 -9.3050 8.2286 8.2286 12.4219 12.4219 14.6796 14.6796 15.0235 15.0235 22.1175 22.1175 22.9840 22.9840 23.4524 23.4524 25.6489 25.6489 k = 0.2600 0.1501 0.4246 ( 839 PWs) bands (ev): -42.5556 -42.5556 -17.0622 -17.0622 -9.7835 -9.7835 -9.2940 -9.2940 8.1954 8.1954 12.4398 12.4398 14.6751 14.6751 15.0347 15.0347 22.0189 22.0189 22.9134 22.9134 23.6001 23.6001 25.5670 25.5670 k = 0.2550 0.1472 0.4164 ( 839 PWs) bands (ev): -42.5572 -42.5572 -17.0573 -17.0573 -9.7744 -9.7744 -9.2830 -9.2830 8.1550 8.1550 12.4673 12.4673 14.6736 14.6736 15.0493 15.0493 21.9210 21.9210 22.8365 22.8365 23.7373 23.7373 25.4877 25.4877 k = 0.2500 0.1443 0.4082 ( 837 PWs) bands (ev): -42.5587 -42.5587 -17.0521 -17.0521 -9.7645 -9.7645 -9.2720 -9.2720 8.1078 8.1078 12.5040 12.5040 14.6754 14.6754 15.0671 15.0671 21.8240 21.8240 22.7574 22.7574 23.8564 23.8564 25.4115 25.4115 k = 0.2450 0.1415 0.4001 ( 837 PWs) bands (ev): -42.5604 -42.5604 -17.0468 -17.0468 -9.7539 -9.7539 -9.2610 -9.2610 8.0541 8.0541 12.5495 12.5495 14.6806 14.6806 15.0880 15.0880 21.7279 21.7279 22.6771 22.6771 23.9522 23.9522 25.3385 25.3385 k = 0.2400 0.1386 0.3919 ( 837 PWs) bands (ev): -42.5620 -42.5620 -17.0413 -17.0413 -9.7426 -9.7426 -9.2501 -9.2501 7.9944 7.9944 12.6036 12.6036 14.6895 14.6895 15.1119 15.1119 21.6328 21.6328 22.5965 22.5965 24.0208 24.0208 25.2685 25.2685 k = 0.2350 0.1357 0.3838 ( 837 PWs) bands (ev): -42.5638 -42.5638 -17.0356 -17.0356 -9.7306 -9.7306 -9.2393 -9.2393 7.9292 7.9292 12.6656 12.6656 14.7020 14.7020 15.1388 15.1388 21.5387 21.5387 22.5157 22.5157 24.0599 24.0599 25.2003 25.2003 k = 0.2300 0.1328 0.3756 ( 839 PWs) bands (ev): -42.5655 -42.5655 -17.0299 -17.0299 -9.7178 -9.7178 -9.2287 -9.2287 7.8590 7.8590 12.7351 12.7351 14.7182 14.7182 15.1686 15.1686 21.4458 21.4458 22.4350 22.4350 24.0692 24.0692 25.1321 25.1321 k = 0.2250 0.1299 0.3674 ( 843 PWs) bands (ev): -42.5674 -42.5674 -17.0240 -17.0240 -9.7044 -9.7044 -9.2182 -9.2182 7.7843 7.7843 12.8117 12.8117 14.7383 14.7383 15.2013 15.2013 21.3541 21.3541 22.3544 22.3544 24.0501 24.0501 25.0618 25.0618 k = 0.2200 0.1270 0.3593 ( 843 PWs) bands (ev): -42.5692 -42.5692 -17.0178 -17.0178 -9.6901 -9.6901 -9.2077 -9.2077 7.7058 7.7058 12.8949 12.8949 14.7623 14.7623 15.2368 15.2368 21.2638 21.2638 22.2741 22.2741 24.0056 24.0056 24.9873 24.9873 k = 0.2150 0.1241 0.3511 ( 843 PWs) bands (ev): -42.5711 -42.5711 -17.0115 -17.0115 -9.6752 -9.6752 -9.1975 -9.1975 7.6238 7.6238 12.9842 12.9842 14.7902 14.7902 15.2752 15.2752 21.1747 21.1747 22.1941 22.1941 23.9394 23.9394 24.9076 24.9076 k = 0.2100 0.1212 0.3429 ( 839 PWs) bands (ev): -42.5730 -42.5730 -17.0049 -17.0049 -9.6595 -9.6595 -9.1872 -9.1872 7.5389 7.5389 13.0791 13.0791 14.8221 14.8221 15.3163 15.3163 21.0871 21.0871 22.1145 22.1145 23.8549 23.8549 24.8227 24.8227 k = 0.2050 0.1184 0.3348 ( 837 PWs) bands (ev): -42.5749 -42.5749 -16.9983 -16.9983 -9.6432 -9.6432 -9.1772 -9.1772 7.4515 7.4515 13.1794 13.1794 14.8579 14.8579 15.3603 15.3603 21.0009 21.0009 22.0353 22.0353 23.7552 23.7552 24.7334 24.7334 k = 0.2000 0.1155 0.3266 ( 837 PWs) bands (ev): -42.5769 -42.5769 -16.9916 -16.9916 -9.6263 -9.6263 -9.1675 -9.1675 7.3621 7.3621 13.2845 13.2845 14.8977 14.8977 15.4070 15.4070 20.9163 20.9163 21.9565 21.9565 23.6430 23.6430 24.6411 24.6411 k = 0.1950 0.1126 0.3184 ( 837 PWs) bands (ev): -42.5789 -42.5789 -16.9848 -16.9848 -9.6087 -9.6087 -9.1579 -9.1579 7.2709 7.2709 13.3941 13.3941 14.9415 14.9415 15.4565 15.4565 20.8332 20.8332 21.8783 21.8783 23.5203 23.5203 24.5469 24.5469 k = 0.1900 0.1097 0.3103 ( 837 PWs) bands (ev): -42.5810 -42.5810 -16.9779 -16.9779 -9.5906 -9.5906 -9.1486 -9.1486 7.1784 7.1784 13.5080 13.5080 14.9894 14.9894 15.5086 15.5086 20.7517 20.7517 21.8006 21.8006 23.3893 23.3893 24.4520 24.4520 k = 0.1850 0.1068 0.3021 ( 845 PWs) bands (ev): -42.5830 -42.5830 -16.9711 -16.9711 -9.5721 -9.5721 -9.1397 -9.1397 7.0850 7.0850 13.6257 13.6257 15.0411 15.0411 15.5635 15.5635 20.6719 20.6719 21.7234 21.7234 23.2516 23.2516 24.3573 24.3573 k = 0.1800 0.1039 0.2939 ( 845 PWs) bands (ev): -42.5851 -42.5851 -16.9641 -16.9641 -9.5529 -9.5529 -9.1308 -9.1308 6.9909 6.9909 13.7471 13.7471 15.0969 15.0969 15.6210 15.6210 20.5938 20.5938 21.6467 21.6467 23.1088 23.1088 24.2632 24.2632 k = 0.1750 0.1010 0.2858 ( 845 PWs) bands (ev): -42.5871 -42.5871 -16.9570 -16.9570 -9.5332 -9.5332 -9.1221 -9.1221 6.8964 6.8964 13.8718 13.8718 15.1567 15.1567 15.6812 15.6812 20.5174 20.5174 21.5706 21.5706 22.9623 22.9623 24.1701 24.1701 k = 0.1700 0.0981 0.2776 ( 845 PWs) bands (ev): -42.5892 -42.5892 -16.9499 -16.9499 -9.5131 -9.5131 -9.1137 -9.1137 6.8019 6.8019 13.9997 13.9997 15.2204 15.2204 15.7440 15.7440 20.4428 20.4428 21.4950 21.4950 22.8133 22.8133 24.0782 24.0782 k = 0.1650 0.0953 0.2694 ( 845 PWs) bands (ev): -42.5913 -42.5913 -16.9427 -16.9427 -9.4925 -9.4925 -9.1055 -9.1055 6.7075 6.7075 14.1304 14.1304 15.2880 15.2880 15.8094 15.8094 20.3700 20.3700 21.4199 21.4199 22.6629 22.6629 23.9873 23.9873 k = 0.1600 0.0924 0.2613 ( 845 PWs) bands (ev): -42.5934 -42.5934 -16.9355 -16.9355 -9.4717 -9.4717 -9.0976 -9.0976 6.6135 6.6135 14.2639 14.2639 15.3595 15.3595 15.8772 15.8772 20.2990 20.2990 21.3453 21.3453 22.5121 22.5121 23.8976 23.8976 k = 0.1550 0.0895 0.2531 ( 845 PWs) bands (ev): -42.5954 -42.5954 -16.9284 -16.9284 -9.4505 -9.4505 -9.0899 -9.0899 6.5202 6.5202 14.3999 14.3999 15.4349 15.4349 15.9476 15.9476 20.2300 20.2300 21.2712 21.2712 22.3616 22.3616 23.8089 23.8089 k = 0.1500 0.0866 0.2449 ( 841 PWs) bands (ev): -42.5975 -42.5975 -16.9211 -16.9211 -9.4290 -9.4290 -9.0824 -9.0824 6.4276 6.4276 14.5382 14.5382 15.5140 15.5140 16.0203 16.0203 20.1628 20.1628 21.1975 21.1975 22.2122 22.2122 23.7211 23.7211 k = 0.1450 0.0837 0.2368 ( 841 PWs) bands (ev): -42.5995 -42.5995 -16.9140 -16.9140 -9.4074 -9.4074 -9.0752 -9.0752 6.3362 6.3362 14.6786 14.6786 15.5970 15.5970 16.0954 16.0954 20.0976 20.0976 21.1243 21.1243 22.0645 22.0645 23.6340 23.6340 k = 0.1400 0.0808 0.2286 ( 841 PWs) bands (ev): -42.6015 -42.6015 -16.9070 -16.9070 -9.3856 -9.3856 -9.0683 -9.0683 6.2459 6.2459 14.8210 14.8210 15.6837 15.6837 16.1728 16.1728 20.0344 20.0344 21.0513 21.0513 21.9189 21.9189 23.5476 23.5476 k = 0.1350 0.0779 0.2205 ( 841 PWs) bands (ev): -42.6035 -42.6035 -16.9000 -16.9000 -9.3638 -9.3638 -9.0617 -9.0617 6.1571 6.1571 14.9651 14.9651 15.7740 15.7740 16.2524 16.2524 19.9731 19.9731 20.9787 20.9787 21.7760 21.7760 23.4616 23.4616 k = 0.1300 0.0751 0.2123 ( 845 PWs) bands (ev): -42.6055 -42.6055 -16.8932 -16.8932 -9.3420 -9.3420 -9.0554 -9.0554 6.0698 6.0698 15.1109 15.1109 15.8679 15.8679 16.3342 16.3342 19.9139 19.9139 20.9063 20.9063 21.6360 21.6360 23.3760 23.3760 k = 0.1250 0.0722 0.2041 ( 847 PWs) bands (ev): -42.6075 -42.6075 -16.8865 -16.8865 -9.3202 -9.3202 -9.0493 -9.0493 5.9843 5.9843 15.2582 15.2582 15.9653 15.9653 16.4180 16.4180 19.8567 19.8567 20.8341 20.8341 21.4993 21.4993 23.2907 23.2907 k = 0.1200 0.0693 0.1960 ( 843 PWs) bands (ev): -42.6094 -42.6094 -16.8797 -16.8797 -9.2984 -9.2984 -9.0434 -9.0434 5.9008 5.9008 15.4067 15.4067 16.0661 16.0661 16.5037 16.5037 19.8015 19.8015 20.7619 20.7619 21.3661 21.3661 23.2054 23.2054 k = 0.1150 0.0664 0.1878 ( 843 PWs) bands (ev): -42.6112 -42.6112 -16.8732 -16.8732 -9.2768 -9.2768 -9.0378 -9.0378 5.8193 5.8193 15.5563 15.5563 16.1702 16.1702 16.5914 16.5914 19.7484 19.7484 20.6896 20.6896 21.2367 21.2367 23.1202 23.1202 k = 0.1100 0.0635 0.1796 ( 843 PWs) bands (ev): -42.6130 -42.6130 -16.8668 -16.8668 -9.2555 -9.2555 -9.0325 -9.0325 5.7400 5.7400 15.7069 15.7069 16.2776 16.2776 16.6808 16.6808 19.6975 19.6975 20.6171 20.6171 21.1114 21.1114 23.0350 23.0350 k = 0.1050 0.0606 0.1715 ( 843 PWs) bands (ev): -42.6148 -42.6148 -16.8606 -16.8606 -9.2344 -9.2344 -9.0274 -9.0274 5.6631 5.6631 15.8583 15.8583 16.3880 16.3880 16.7718 16.7718 19.6486 19.6486 20.5444 20.5444 20.9901 20.9901 22.9496 22.9496 k = 0.1000 0.0577 0.1633 ( 851 PWs) bands (ev): -42.6166 -42.6166 -16.8548 -16.8548 -9.2139 -9.2139 -9.0228 -9.0228 5.5886 5.5886 16.0101 16.0101 16.5013 16.5013 16.8643 16.8643 19.6018 19.6018 20.4712 20.4712 20.8731 20.8731 22.8641 22.8641 k = 0.0950 0.0548 0.1551 ( 847 PWs) bands (ev): -42.6182 -42.6182 -16.8489 -16.8489 -9.1936 -9.1936 -9.0182 -9.0182 5.5169 5.5169 16.1624 16.1624 16.6173 16.6173 16.9583 16.9583 19.5572 19.5572 20.3975 20.3975 20.7604 20.7604 22.7785 22.7785 k = 0.0900 0.0520 0.1470 ( 855 PWs) bands (ev): -42.6198 -42.6198 -16.8435 -16.8435 -9.1741 -9.1741 -9.0141 -9.0141 5.4479 5.4479 16.3148 16.3148 16.7360 16.7360 17.0536 17.0536 19.5147 19.5147 20.3231 20.3231 20.6521 20.6521 22.6926 22.6926 k = 0.0850 0.0491 0.1388 ( 855 PWs) bands (ev): -42.6214 -42.6214 -16.8381 -16.8381 -9.1549 -9.1549 -9.0100 -9.0100 5.3819 5.3819 16.4670 16.4670 16.8569 16.8569 17.1500 17.1500 19.4744 19.4744 20.2479 20.2479 20.5482 20.5482 22.6068 22.6068 k = 0.0800 0.0462 0.1306 ( 863 PWs) bands (ev): -42.6229 -42.6229 -16.8332 -16.8332 -9.1367 -9.1367 -9.0063 -9.0063 5.3189 5.3189 16.6188 16.6188 16.9798 16.9798 17.2474 17.2474 19.4362 19.4362 20.1718 20.1718 20.4484 20.4484 22.5210 22.5210 k = 0.0750 0.0433 0.1225 ( 863 PWs) bands (ev): -42.6243 -42.6243 -16.8283 -16.8283 -9.1189 -9.1189 -9.0028 -9.0028 5.2590 5.2590 16.7700 16.7700 17.1045 17.1045 17.3458 17.3458 19.4001 19.4001 20.0950 20.0950 20.3527 20.3527 22.4355 22.4355 k = 0.0700 0.0404 0.1143 ( 863 PWs) bands (ev): -42.6256 -42.6256 -16.8237 -16.8237 -9.1019 -9.1019 -8.9995 -8.9995 5.2025 5.2025 16.9202 16.9202 17.2304 17.2304 17.4449 17.4449 19.3662 19.3662 20.0174 20.0174 20.2608 20.2608 22.3505 22.3505 k = 0.0650 0.0375 0.1061 ( 867 PWs) bands (ev): -42.6269 -42.6269 -16.8194 -16.8194 -9.0860 -9.0860 -8.9964 -8.9964 5.1493 5.1493 17.0689 17.0689 17.3571 17.3571 17.5446 17.5446 19.3343 19.3343 19.9392 19.9392 20.1721 20.1721 22.2665 22.2665 k = 0.0600 0.0346 0.0980 ( 867 PWs) bands (ev): -42.6280 -42.6280 -16.8153 -16.8153 -9.0707 -9.0707 -8.9936 -8.9936 5.0996 5.0996 17.2158 17.2158 17.4840 17.4840 17.6450 17.6450 19.3046 19.3046 19.8607 19.8607 20.0863 20.0863 22.1837 22.1837 k = 0.0550 0.0318 0.0898 ( 871 PWs) bands (ev): -42.6291 -42.6291 -16.8117 -16.8117 -9.0566 -9.0566 -8.9911 -8.9911 5.0535 5.0535 17.3603 17.3603 17.6104 17.6104 17.7459 17.7459 19.2768 19.2768 19.7820 19.7820 20.0028 20.0028 22.1028 22.1028 k = 0.0500 0.0289 0.0816 ( 871 PWs) bands (ev): -42.6301 -42.6301 -16.8082 -16.8082 -9.0434 -9.0434 -8.9887 -8.9887 5.0111 5.0111 17.5018 17.5018 17.7352 17.7352 17.8475 17.8475 19.2510 19.2510 19.7032 19.7032 19.9213 19.9213 22.0244 22.0244 k = 0.0450 0.0260 0.0735 ( 875 PWs) bands (ev): -42.6311 -42.6311 -16.8051 -16.8051 -9.0314 -9.0314 -8.9866 -8.9866 4.9725 4.9725 17.6395 17.6395 17.8574 17.8574 17.9498 17.9498 19.2269 19.2269 19.6246 19.6246 19.8415 19.8415 21.9492 21.9492 k = 0.0400 0.0231 0.0653 ( 871 PWs) bands (ev): -42.6319 -42.6319 -16.8021 -16.8021 -9.0203 -9.0203 -8.9846 -8.9846 4.9377 4.9377 17.7724 17.7724 17.9757 17.9757 18.0528 18.0528 19.2045 19.2045 19.5463 19.5463 19.7630 19.7630 21.8782 21.8782 k = 0.0350 0.0202 0.0572 ( 869 PWs) bands (ev): -42.6326 -42.6326 -16.7995 -16.7995 -9.0104 -9.0104 -8.9830 -8.9830 4.9068 4.9068 17.8992 17.8992 18.0891 18.0891 18.1562 18.1562 19.1833 19.1833 19.4684 19.4684 19.6862 19.6862 21.8121 21.8121 k = 0.0300 0.0173 0.0490 ( 869 PWs) bands (ev): -42.6332 -42.6332 -16.7972 -16.7972 -9.0018 -9.0018 -8.9815 -8.9815 4.8799 4.8799 18.0181 18.0181 18.1975 18.1975 18.2583 18.2583 19.1630 19.1630 19.3911 19.3911 19.6113 19.6113 21.7521 21.7521 k = 0.0250 0.0144 0.0408 ( 869 PWs) bands (ev): -42.6338 -42.6338 -16.7954 -16.7954 -8.9944 -8.9944 -8.9803 -8.9803 4.8571 4.8571 18.1270 18.1270 18.3014 18.3014 18.3564 18.3564 19.1427 19.1427 19.3150 19.3150 19.5395 19.5395 21.6990 21.6990 k = 0.0200 0.0115 0.0327 ( 869 PWs) bands (ev): -42.6342 -42.6342 -16.7938 -16.7938 -8.9884 -8.9884 -8.9793 -8.9793 4.8383 4.8383 18.2235 18.2235 18.4007 18.4007 18.4475 18.4475 19.1213 19.1213 19.2408 19.2408 19.4729 19.4729 21.6540 21.6540 k = 0.0150 0.0087 0.0245 ( 869 PWs) bands (ev): -42.6346 -42.6346 -16.7926 -16.7926 -8.9837 -8.9837 -8.9785 -8.9785 4.8237 4.8237 18.3046 18.3046 18.4934 18.4934 18.5282 18.5282 19.0979 19.0979 19.1704 19.1704 19.4148 19.4148 21.6178 21.6178 k = 0.0100 0.0058 0.0163 ( 869 PWs) bands (ev): -42.6348 -42.6348 -16.7917 -16.7917 -8.9803 -8.9803 -8.9780 -8.9780 4.8132 4.8132 18.3669 18.3669 18.5749 18.5749 18.5949 18.5949 19.0726 19.0726 19.1074 19.1074 19.3696 19.3696 21.5914 21.5914 k = 0.0050 0.0029 0.0082 ( 869 PWs) bands (ev): -42.6350 -42.6350 -16.7912 -16.7912 -8.9782 -8.9782 -8.9776 -8.9776 4.8069 4.8069 18.4065 18.4065 18.6351 18.6351 18.6413 18.6413 19.0503 19.0503 19.0596 19.0596 19.3411 19.3411 21.5753 21.5754 k = 0.0000 0.0000 0.0000 ( 869 PWs) bands (ev): -42.6350 -42.6350 -16.7910 -16.7910 -8.9775 -8.9775 -8.9775 -8.9775 4.8048 4.8048 18.4201 18.4201 18.6585 18.6585 18.6585 18.6585 19.0407 19.0407 19.0407 19.0407 19.3314 19.3314 21.5698 21.5698 k = 0.0000 0.0000 0.0000 ( 869 PWs) bands (ev): -42.6350 -42.6350 -16.7910 -16.7910 -8.9775 -8.9775 -8.9775 -8.9775 4.8048 4.8048 18.4201 18.4201 18.6585 18.6585 18.6585 18.6585 19.0407 19.0407 19.0407 19.0407 19.3314 19.3314 21.5698 21.5698 k = 0.0081 0.0047 0.0033 ( 869 PWs) bands (ev): -42.6350 -42.6350 -16.7912 -16.7912 -8.9782 -8.9782 -8.9776 -8.9776 4.8068 4.8068 18.4068 18.4068 18.6363 18.6363 18.6410 18.6410 19.0524 19.0524 19.0569 19.0569 19.3408 19.3408 21.5795 21.5797 k = 0.0161 0.0093 0.0066 ( 869 PWs) bands (ev): -42.6348 -42.6348 -16.7917 -16.7917 -8.9803 -8.9803 -8.9778 -8.9778 4.8130 4.8130 18.3677 18.3677 18.5797 18.5797 18.5938 18.5938 19.0823 19.0823 19.0960 19.0960 19.3680 19.3680 21.6081 21.6089 k = 0.0242 0.0140 0.0099 ( 869 PWs) bands (ev): -42.6346 -42.6346 -16.7925 -16.7925 -8.9838 -8.9838 -8.9782 -8.9782 4.8232 4.8232 18.3052 18.3052 18.5039 18.5039 18.5260 18.5260 19.1221 19.1221 19.1435 19.1435 19.4105 19.4105 21.6549 21.6557 k = 0.0323 0.0186 0.0132 ( 869 PWs) bands (ev): -42.6342 -42.6342 -16.7937 -16.7937 -8.9886 -8.9886 -8.9788 -8.9788 4.8375 4.8375 18.2230 18.2230 18.4182 18.4182 18.4446 18.4446 19.1661 19.1661 19.1917 19.1917 19.4645 19.4645 21.7187 21.7197 k = 0.0403 0.0233 0.0165 ( 869 PWs) bands (ev): -42.6338 -42.6338 -16.7952 -16.7952 -8.9948 -8.9948 -8.9795 -8.9795 4.8558 4.8558 18.1251 18.1251 18.3265 18.3265 18.3537 18.3537 19.2116 19.2116 19.2383 19.2383 19.5259 19.5259 21.7983 21.7983 k = 0.0484 0.0279 0.0198 ( 869 PWs) bands (ev): -42.6333 -42.6333 -16.7971 -16.7971 -9.0023 -9.0023 -8.9803 -8.9803 4.8781 4.8781 18.0152 18.0152 18.2303 18.2303 18.2557 18.2557 19.2575 19.2575 19.2833 19.2833 19.5913 19.5913 21.8921 21.8921 k = 0.0565 0.0326 0.0230 ( 872 PWs) bands (ev): -42.6327 -42.6327 -16.7994 -16.7994 -9.0112 -9.0112 -8.9813 -8.9813 4.9044 4.9044 17.8963 17.8963 18.1302 18.1302 18.1524 18.1524 19.3038 19.3038 19.3276 19.3276 19.6581 19.6581 21.9986 21.9986 k = 0.0645 0.0372 0.0263 ( 872 PWs) bands (ev): -42.6320 -42.6320 -16.8019 -16.8019 -9.0212 -9.0212 -8.9825 -8.9825 4.9346 4.9346 17.7706 17.7706 18.0267 18.0267 18.0450 18.0450 19.3506 19.3506 19.3718 19.3718 19.7246 19.7246 22.1163 22.1163 k = 0.0726 0.0419 0.0296 ( 872 PWs) bands (ev): -42.6312 -42.6312 -16.8047 -16.8047 -9.0325 -9.0325 -8.9838 -8.9838 4.9687 4.9687 17.6396 17.6396 17.9204 17.9204 17.9346 17.9346 19.3982 19.3982 19.4166 19.4166 19.7898 19.7898 22.2440 22.2442 k = 0.0806 0.0466 0.0329 ( 872 PWs) bands (ev): -42.6303 -42.6303 -16.8078 -16.8078 -9.0450 -9.0450 -8.9852 -8.9852 5.0065 5.0065 17.5044 17.5044 17.8120 17.8120 17.8219 17.8219 19.4471 19.4471 19.4624 19.4624 19.8532 19.8532 22.3804 22.3804 k = 0.0887 0.0512 0.0362 ( 866 PWs) bands (ev): -42.6293 -42.6293 -16.8110 -16.8110 -9.0583 -9.0583 -8.9867 -8.9867 5.0481 5.0481 17.3659 17.3659 17.7020 17.7020 17.7076 17.7076 19.4975 19.4975 19.5097 19.5097 19.9144 19.9144 22.5244 22.5244 k = 0.0968 0.0559 0.0395 ( 866 PWs) bands (ev): -42.6282 -42.6282 -16.8147 -16.8147 -9.0730 -9.0730 -8.9884 -8.9884 5.0933 5.0933 17.2246 17.2246 17.5908 17.5908 17.5924 17.5924 19.5498 19.5498 19.5588 19.5588 19.9735 19.9735 22.6752 22.6752 k = 0.1048 0.0605 0.0428 ( 866 PWs) bands (ev): -42.6271 -42.6271 -16.8187 -16.8187 -9.0887 -9.0887 -8.9903 -8.9903 5.1422 5.1422 17.0810 17.0810 17.4767 17.4767 17.4790 17.4790 19.6042 19.6042 19.6099 19.6099 20.0305 20.0305 22.8320 22.8320 k = 0.1129 0.0652 0.0461 ( 857 PWs) bands (ev): -42.6258 -42.6258 -16.8227 -16.8227 -9.1051 -9.1051 -8.9922 -8.9922 5.1945 5.1945 16.9356 16.9356 17.3608 17.3608 17.3670 17.3670 19.6609 19.6609 19.6631 19.6631 20.0855 20.0855 22.9941 22.9941 k = 0.1210 0.0698 0.0494 ( 857 PWs) bands (ev): -42.6245 -42.6245 -16.8272 -16.8272 -9.1227 -9.1227 -8.9942 -8.9942 5.2502 5.2502 16.7887 16.7887 17.2453 17.2453 17.2552 17.2552 19.7185 19.7185 19.7201 19.7201 20.1389 20.1389 23.1609 23.1609 k = 0.1290 0.0745 0.0527 ( 857 PWs) bands (ev): -42.6232 -42.6232 -16.8320 -16.8320 -9.1412 -9.1412 -8.9964 -8.9964 5.3093 5.3093 16.6406 16.6406 17.1303 17.1303 17.1437 17.1437 19.7762 19.7762 19.7820 19.7820 20.1910 20.1910 23.3318 23.3318 k = 0.1371 0.0792 0.0560 ( 857 PWs) bands (ev): -42.6218 -42.6218 -16.8370 -16.8370 -9.1605 -9.1605 -8.9987 -8.9987 5.3715 5.3715 16.4915 16.4915 17.0162 17.0162 17.0330 17.0330 19.8362 19.8362 19.8465 19.8465 20.2421 20.2421 23.5066 23.5066 k = 0.1452 0.0838 0.0593 ( 857 PWs) bands (ev): -42.6203 -42.6203 -16.8423 -16.8423 -9.1805 -9.1805 -9.0011 -9.0011 5.4369 5.4369 16.3418 16.3418 16.9031 16.9031 16.9233 16.9233 19.8985 19.8985 19.9137 19.9137 20.2926 20.2926 23.6847 23.6847 k = 0.1532 0.0885 0.0626 ( 854 PWs) bands (ev): -42.6187 -42.6187 -16.8477 -16.8477 -9.2011 -9.2011 -9.0035 -9.0035 5.5053 5.5053 16.1916 16.1916 16.7913 16.7913 16.8147 16.8147 19.9629 19.9629 19.9838 19.9838 20.3430 20.3430 23.8658 23.8659 k = 0.1613 0.0931 0.0658 ( 854 PWs) bands (ev): -42.6171 -42.6171 -16.8533 -16.8533 -9.2224 -9.2224 -9.0061 -9.0061 5.5765 5.5765 16.0411 16.0411 16.6810 16.6810 16.7074 16.7074 20.0293 20.0293 20.0567 20.0567 20.3938 20.3938 24.0496 24.0496 k = 0.1694 0.0978 0.0691 ( 854 PWs) bands (ev): -42.6154 -42.6154 -16.8592 -16.8592 -9.2442 -9.2442 -9.0087 -9.0087 5.6506 5.6506 15.8904 15.8904 16.5722 16.5722 16.6016 16.6016 20.0974 20.0974 20.1324 20.1324 20.4455 20.4455 24.2359 24.2359 k = 0.1774 0.1024 0.0724 ( 842 PWs) bands (ev): -42.6137 -42.6137 -16.8649 -16.8649 -9.2662 -9.2662 -9.0112 -9.0112 5.7275 5.7275 15.7398 15.7398 16.4652 16.4652 16.4974 16.4974 20.1671 20.1671 20.2110 20.2110 20.4988 20.4988 24.4243 24.4243 k = 0.1855 0.1071 0.0757 ( 842 PWs) bands (ev): -42.6119 -42.6119 -16.8711 -16.8711 -9.2890 -9.2890 -9.0139 -9.0139 5.8068 5.8068 15.5894 15.5894 16.3599 16.3599 16.3950 16.3950 20.2378 20.2378 20.2924 20.2924 20.5542 20.5542 24.6147 24.6147 k = 0.1935 0.1117 0.0790 ( 842 PWs) bands (ev): -42.6101 -42.6101 -16.8774 -16.8774 -9.3121 -9.3121 -9.0167 -9.0167 5.8886 5.8886 15.4393 15.4393 16.2567 16.2567 16.2944 16.2944 20.3092 20.3092 20.3766 20.3766 20.6125 20.6125 24.8067 24.8067 k = 0.2016 0.1164 0.0823 ( 842 PWs) bands (ev): -42.6083 -42.6083 -16.8839 -16.8839 -9.3354 -9.3354 -9.0196 -9.0196 5.9728 5.9728 15.2897 15.2897 16.1554 16.1554 16.1958 16.1958 20.3808 20.3808 20.4634 20.4634 20.6745 20.6745 25.0002 25.0002 k = 0.2097 0.1211 0.0856 ( 842 PWs) bands (ev): -42.6065 -42.6065 -16.8905 -16.8905 -9.3589 -9.3589 -9.0225 -9.0225 6.0592 6.0592 15.1405 15.1405 16.0563 16.0563 16.0992 16.0992 20.4521 20.4521 20.5530 20.5530 20.7407 20.7407 25.1949 25.1949 k = 0.2177 0.1257 0.0889 ( 842 PWs) bands (ev): -42.6046 -42.6046 -16.8971 -16.8971 -9.3825 -9.3825 -9.0255 -9.0255 6.1477 6.1477 14.9920 14.9920 15.9593 15.9593 16.0047 16.0047 20.5228 20.5228 20.6452 20.6452 20.8117 20.8117 25.3907 25.3907 k = 0.2258 0.1304 0.0922 ( 845 PWs) bands (ev): -42.6027 -42.6027 -16.9040 -16.9040 -9.4063 -9.4063 -9.0286 -9.0286 6.2382 6.2382 14.8442 14.8442 15.8646 15.8646 15.9123 15.9123 20.5927 20.5927 20.7399 20.7399 20.8879 20.8879 25.5872 25.5872 k = 0.2339 0.1350 0.0955 ( 845 PWs) bands (ev): -42.6008 -42.6008 -16.9108 -16.9108 -9.4300 -9.4300 -9.0316 -9.0316 6.3306 6.3306 14.6972 14.6972 15.7722 15.7722 15.8223 15.8223 20.6620 20.6620 20.8370 20.8370 20.9692 20.9692 25.7845 25.7845 k = 0.2419 0.1397 0.0988 ( 851 PWs) bands (ev): -42.5989 -42.5989 -16.9179 -16.9179 -9.4538 -9.4538 -9.0348 -9.0348 6.4247 6.4247 14.5510 14.5510 15.6822 15.6822 15.7345 15.7345 20.7309 20.7309 20.9365 20.9365 21.0555 21.0555 25.9820 25.9820 k = 0.2500 0.1443 0.1021 ( 851 PWs) bands (ev): -42.5970 -42.5970 -16.9248 -16.9248 -9.4774 -9.4774 -9.0379 -9.0379 6.5205 6.5205 14.4058 14.4058 15.5945 15.5945 15.6490 15.6490 20.8000 20.8000 21.0382 21.0382 21.1463 21.1463 26.1798 26.1798 k = 0.2581 0.1490 0.1054 ( 845 PWs) bands (ev): -42.5950 -42.5950 -16.9315 -16.9315 -9.5005 -9.5005 -9.0409 -9.0409 6.6178 6.6178 14.2616 14.2616 15.5094 15.5094 15.5659 15.5659 20.8699 20.8699 21.1420 21.1420 21.2414 21.2414 26.3775 26.3775 k = 0.2661 0.1536 0.1086 ( 845 PWs) bands (ev): -42.5931 -42.5931 -16.9383 -16.9383 -9.5237 -9.5237 -9.0439 -9.0439 6.7166 6.7166 14.1184 14.1184 15.4267 15.4267 15.4853 15.4853 20.9408 20.9408 21.2478 21.2478 21.3401 21.3401 26.5748 26.5748 k = 0.2742 0.1583 0.1119 ( 845 PWs) bands (ev): -42.5912 -42.5912 -16.9452 -16.9452 -9.5466 -9.5466 -9.0469 -9.0469 6.8167 6.8167 13.9763 13.9763 15.3466 15.3466 15.4071 15.4071 21.0135 21.0135 21.3554 21.3554 21.4421 21.4421 26.7714 26.7714 k = 0.2823 0.1630 0.1152 ( 845 PWs) bands (ev): -42.5893 -42.5893 -16.9520 -16.9520 -9.5691 -9.5691 -9.0499 -9.0499 6.9179 6.9179 13.8353 13.8353 15.2690 15.2690 15.3315 15.3315 21.0881 21.0881 21.4646 21.4646 21.5469 21.5469 26.9669 26.9669 k = 0.2903 0.1676 0.1185 ( 845 PWs) bands (ev): -42.5874 -42.5874 -16.9588 -16.9588 -9.5913 -9.5913 -9.0528 -9.0528 7.0202 7.0202 13.6956 13.6956 15.1941 15.1941 15.2583 15.2583 21.1651 21.1651 21.5754 21.5754 21.6543 21.6543 27.1608 27.1608 k = 0.2984 0.1723 0.1218 ( 845 PWs) bands (ev): -42.5855 -42.5855 -16.9654 -16.9654 -9.6130 -9.6130 -9.0557 -9.0557 7.1235 7.1235 13.5571 13.5571 15.1218 15.1218 15.1878 15.1878 21.2447 21.2447 21.6874 21.6874 21.7638 21.7638 27.3520 27.3520 k = 0.3065 0.1769 0.1251 ( 839 PWs) bands (ev): -42.5837 -42.5837 -16.9718 -16.9718 -9.6341 -9.6341 -9.0584 -9.0584 7.2276 7.2276 13.4198 13.4198 15.0521 15.0521 15.1198 15.1198 21.3272 21.3272 21.8005 21.8005 21.8752 21.8752 27.5382 27.5382 k = 0.3145 0.1816 0.1284 ( 842 PWs) bands (ev): -42.5819 -42.5819 -16.9784 -16.9784 -9.6550 -9.6550 -9.0612 -9.0612 7.3324 7.3324 13.2839 13.2839 14.9851 14.9851 15.0545 15.0545 21.4128 21.4128 21.9144 21.9144 21.9881 21.9881 27.7098 27.7098 k = 0.3226 0.1862 0.1317 ( 842 PWs) bands (ev): -42.5801 -42.5801 -16.9847 -16.9847 -9.6751 -9.6751 -9.0640 -9.0640 7.4378 7.4378 13.1494 13.1494 14.9209 14.9209 14.9917 14.9917 21.5016 21.5016 22.0288 22.0288 22.1022 22.1022 27.8093 27.8094 k = 0.3306 0.1909 0.1350 ( 842 PWs) bands (ev): -42.5784 -42.5784 -16.9909 -16.9909 -9.6946 -9.6946 -9.0667 -9.0667 7.5437 7.5437 13.0163 13.0163 14.8593 14.8593 14.9317 14.9317 21.5937 21.5937 22.1436 22.1436 22.2173 22.2173 27.7709 27.7709 k = 0.3387 0.1956 0.1383 ( 842 PWs) bands (ev): -42.5767 -42.5767 -16.9969 -16.9969 -9.7135 -9.7135 -9.0692 -9.0692 7.6499 7.6499 12.8847 12.8847 14.8005 14.8005 14.8743 14.8743 21.6893 21.6893 22.2582 22.2582 22.3328 22.3328 27.6807 27.6808 k = 0.3468 0.2002 0.1416 ( 842 PWs) bands (ev): -42.5751 -42.5751 -17.0027 -17.0027 -9.7316 -9.7316 -9.0718 -9.0718 7.7564 7.7564 12.7546 12.7546 14.7445 14.7445 14.8196 14.8196 21.7884 21.7884 22.3725 22.3725 22.4485 22.4485 27.5710 27.5710 k = 0.3548 0.2049 0.1449 ( 839 PWs) bands (ev): -42.5735 -42.5735 -17.0082 -17.0082 -9.7490 -9.7490 -9.0742 -9.0742 7.8628 7.8628 12.6261 12.6261 14.6913 14.6913 14.7676 14.7676 21.8911 21.8911 22.4861 22.4861 22.5641 22.5641 27.4480 27.4480 k = 0.3629 0.2095 0.1482 ( 838 PWs) bands (ev): -42.5720 -42.5720 -17.0136 -17.0136 -9.7656 -9.7656 -9.0765 -9.0765 7.9692 7.9692 12.4994 12.4994 14.6408 14.6408 14.7184 14.7184 21.9974 21.9974 22.5985 22.5985 22.6790 22.6790 27.3142 27.3142 k = 0.3710 0.2142 0.1514 ( 844 PWs) bands (ev): -42.5706 -42.5706 -17.0190 -17.0190 -9.7816 -9.7816 -9.0789 -9.0789 8.0753 8.0753 12.3745 12.3745 14.5932 14.5932 14.6719 14.6719 22.1073 22.1073 22.7093 22.7093 22.7929 22.7929 27.1715 27.1715 k = 0.3790 0.2188 0.1547 ( 844 PWs) bands (ev): -42.5692 -42.5692 -17.0240 -17.0240 -9.7967 -9.7967 -9.0810 -9.0810 8.1809 8.1809 12.2515 12.2515 14.5483 14.5483 14.6282 14.6282 22.2208 22.2208 22.8180 22.8180 22.9054 22.9054 27.0211 27.0211 k = 0.3871 0.2235 0.1580 ( 844 PWs) bands (ev): -42.5679 -42.5679 -17.0286 -17.0286 -9.8109 -9.8109 -9.0830 -9.0830 8.2858 8.2858 12.1307 12.1307 14.5064 14.5064 14.5872 14.5872 22.3379 22.3379 22.9241 22.9241 23.0158 23.0158 26.8642 26.8642 k = 0.3952 0.2281 0.1613 ( 847 PWs) bands (ev): -42.5667 -42.5667 -17.0332 -17.0332 -9.8244 -9.8244 -9.0849 -9.0849 8.3897 8.3897 12.0123 12.0123 14.4672 14.4672 14.5490 14.5490 22.4585 22.4585 23.0271 23.0271 23.1237 23.1237 26.7021 26.7021 k = 0.4032 0.2328 0.1646 ( 847 PWs) bands (ev): -42.5655 -42.5655 -17.0373 -17.0373 -9.8369 -9.8369 -9.0867 -9.0867 8.4923 8.4923 11.8965 11.8965 14.4310 14.4310 14.5136 14.5136 22.5823 22.5823 23.1263 23.1263 23.2287 23.2287 26.5356 26.5356 k = 0.4113 0.2375 0.1679 ( 847 PWs) bands (ev): -42.5645 -42.5645 -17.0412 -17.0412 -9.8484 -9.8484 -9.0883 -9.0883 8.5931 8.5931 11.7836 11.7836 14.3976 14.3976 14.4810 14.4810 22.7092 22.7092 23.2211 23.2211 23.3301 23.3301 26.3658 26.3658 k = 0.4194 0.2421 0.1712 ( 841 PWs) bands (ev): -42.5635 -42.5635 -17.0446 -17.0446 -9.8588 -9.8588 -9.0898 -9.0898 8.6919 8.6919 11.6742 11.6742 14.3671 14.3671 14.4512 14.4512 22.8388 22.8388 23.3110 23.3110 23.4277 23.4277 26.1934 26.1934 k = 0.4274 0.2468 0.1745 ( 841 PWs) bands (ev): -42.5626 -42.5626 -17.0478 -17.0478 -9.8685 -9.8685 -9.0912 -9.0912 8.7878 8.7878 11.5687 11.5687 14.3394 14.3394 14.4243 14.4243 22.9706 22.9706 23.3951 23.3951 23.5210 23.5210 26.0193 26.0193 k = 0.4355 0.2514 0.1778 ( 835 PWs) bands (ev): -42.5617 -42.5617 -17.0506 -17.0506 -9.8771 -9.8771 -9.0922 -9.0922 8.8801 8.8801 11.4679 11.4679 14.3147 14.3147 14.4001 14.4001 23.1037 23.1037 23.4728 23.4728 23.6101 23.6101 25.8441 25.8441 k = 0.4435 0.2561 0.1811 ( 835 PWs) bands (ev): -42.5610 -42.5610 -17.0532 -17.0532 -9.8847 -9.8847 -9.0933 -9.0933 8.9678 8.9678 11.3727 11.3727 14.2928 14.2928 14.3788 14.3788 23.2365 23.2365 23.5435 23.5435 23.6956 23.6956 25.6686 25.6686 k = 0.4516 0.2607 0.1844 ( 841 PWs) bands (ev): -42.5604 -42.5604 -17.0557 -17.0557 -9.8916 -9.8916 -9.0943 -9.0943 9.0499 9.0499 11.2843 11.2843 14.2739 14.2739 14.3603 14.3603 23.3664 23.3664 23.6064 23.6064 23.7790 23.7790 25.4933 25.4933 k = 0.4597 0.2654 0.1877 ( 841 PWs) bands (ev): -42.5598 -42.5598 -17.0576 -17.0576 -9.8973 -9.8973 -9.0952 -9.0952 9.1247 9.1247 11.2042 11.2042 14.2578 14.2578 14.3447 14.3447 23.4889 23.4889 23.6609 23.6609 23.8641 23.8641 25.3191 25.3191 k = 0.4677 0.2701 0.1910 ( 841 PWs) bands (ev): -42.5594 -42.5594 -17.0592 -17.0592 -9.9020 -9.9020 -9.0958 -9.0958 9.1904 9.1904 11.1342 11.1342 14.2447 14.2447 14.3318 14.3318 23.5967 23.5967 23.7064 23.7064 23.9569 23.9569 25.1464 25.1464 k = 0.4758 0.2747 0.1942 ( 841 PWs) bands (ev): -42.5591 -42.5591 -17.0604 -17.0604 -9.9056 -9.9056 -9.0964 -9.0964 9.2449 9.2449 11.0763 11.0763 14.2345 14.2345 14.3219 14.3219 23.6819 23.6819 23.7424 23.7424 24.0641 24.0641 24.9761 24.9761 k = 0.4839 0.2794 0.1975 ( 832 PWs) bands (ev): -42.5588 -42.5588 -17.0611 -17.0611 -9.9080 -9.9080 -9.0966 -9.0966 9.2862 9.2862 11.0328 11.0328 14.2272 14.2272 14.3148 14.3148 23.7407 23.7407 23.7685 23.7685 24.1882 24.1882 24.8093 24.8093 k = 0.4919 0.2840 0.2008 ( 832 PWs) bands (ev): -42.5586 -42.5586 -17.0616 -17.0616 -9.9095 -9.9095 -9.0968 -9.0968 9.3119 9.3119 11.0056 11.0056 14.2228 14.2228 14.3105 14.3105 23.7742 23.7742 23.7842 23.7842 24.3252 24.3252 24.6486 24.6486 k = 0.5000 0.2887 0.2041 ( 832 PWs) bands (ev): -42.5586 -42.5586 -17.0618 -17.0618 -9.9100 -9.9100 -9.0969 -9.0969 9.3206 9.3206 10.9964 10.9964 14.2214 14.2214 14.3091 14.3091 23.7850 23.7850 23.7895 23.7895 24.4367 24.4367 24.5296 24.5296 k = 0.5000 0.2887 0.2041 ( 832 PWs) bands (ev): -42.5586 -42.5586 -17.0618 -17.0618 -9.9100 -9.9100 -9.0969 -9.0969 9.3206 9.3206 10.9964 10.9964 14.2214 14.2214 14.3091 14.3091 23.7850 23.7850 23.7895 23.7895 24.4367 24.4367 24.5296 24.5296 k = 0.5028 0.2805 0.2088 ( 832 PWs) bands (ev): -42.5586 -42.5586 -17.0618 -17.0618 -9.9100 -9.9100 -9.0974 -9.0974 9.3185 9.3185 10.9988 10.9988 14.2226 14.2226 14.3104 14.3104 23.7666 23.7666 23.7868 23.7868 24.4250 24.4250 24.5621 24.5621 k = 0.5057 0.2723 0.2134 ( 834 PWs) bands (ev): -42.5585 -42.5585 -17.0621 -17.0621 -9.9098 -9.9098 -9.0988 -9.0988 9.3121 9.3121 11.0060 11.0060 14.2262 14.2262 14.3145 14.3145 23.7115 23.7115 23.7846 23.7846 24.4059 24.4059 24.6377 24.6377 k = 0.5085 0.2641 0.2180 ( 839 PWs) bands (ev): -42.5584 -42.5584 -17.0625 -17.0625 -9.9096 -9.9096 -9.1011 -9.1011 9.3016 9.3016 11.0180 11.0180 14.2322 14.2322 14.3214 14.3214 23.6331 23.6331 23.7813 23.7813 24.3864 24.3864 24.7377 24.7377 k = 0.5114 0.2559 0.2227 ( 839 PWs) bands (ev): -42.5582 -42.5582 -17.0630 -17.0630 -9.9091 -9.9091 -9.1042 -9.1042 9.2869 9.2869 11.0348 11.0348 14.2405 14.2405 14.3309 14.3309 23.5416 23.5416 23.7767 23.7767 24.3651 24.3651 24.8537 24.8537 k = 0.5142 0.2477 0.2273 ( 841 PWs) bands (ev): -42.5580 -42.5580 -17.0636 -17.0636 -9.9085 -9.9085 -9.1082 -9.1082 9.2683 9.2683 11.0562 11.0562 14.2509 14.2509 14.3431 14.3431 23.4429 23.4429 23.7709 23.7709 24.3413 24.3413 24.9807 24.9807 k = 0.5170 0.2395 0.2320 ( 845 PWs) bands (ev): -42.5578 -42.5578 -17.0643 -17.0643 -9.9078 -9.9078 -9.1132 -9.1132 9.2460 9.2460 11.0823 11.0823 14.2634 14.2634 14.3580 14.3580 23.3406 23.3406 23.7640 23.7640 24.3147 24.3147 25.1156 25.1156 k = 0.5199 0.2313 0.2366 ( 841 PWs) bands (ev): -42.5575 -42.5575 -17.0650 -17.0650 -9.9069 -9.9069 -9.1187 -9.1187 9.2200 9.2200 11.1129 11.1129 14.2779 14.2779 14.3754 14.3754 23.2366 23.2366 23.7560 23.7560 24.2855 24.2855 25.2567 25.2567 k = 0.5227 0.2231 0.2412 ( 841 PWs) bands (ev): -42.5571 -42.5571 -17.0659 -17.0659 -9.9059 -9.9059 -9.1251 -9.1251 9.1907 9.1907 11.1479 11.1479 14.2941 14.2941 14.3953 14.3953 23.1320 23.1320 23.7470 23.7470 24.2541 24.2541 25.4026 25.4026 k = 0.5256 0.2149 0.2459 ( 839 PWs) bands (ev): -42.5567 -42.5567 -17.0668 -17.0668 -9.9047 -9.9047 -9.1323 -9.1323 9.1581 9.1581 11.1873 11.1873 14.3119 14.3119 14.4175 14.4175 23.0272 23.0272 23.7371 23.7371 24.2213 24.2213 25.5525 25.5525 k = 0.5284 0.2067 0.2505 ( 837 PWs) bands (ev): -42.5563 -42.5563 -17.0679 -17.0679 -9.9034 -9.9034 -9.1402 -9.1402 9.1226 9.1226 11.2310 11.2310 14.3313 14.3313 14.4420 14.4420 22.9224 22.9224 23.7265 23.7265 24.1877 24.1877 25.7057 25.7057 k = 0.5312 0.1985 0.2552 ( 841 PWs) bands (ev): -42.5558 -42.5558 -17.0692 -17.0692 -9.9021 -9.9021 -9.1490 -9.1490 9.0844 9.0844 11.2787 11.2787 14.3520 14.3520 14.4685 14.4685 22.8179 22.8179 23.7153 23.7153 24.1541 24.1541 25.8616 25.8616 k = 0.5341 0.1903 0.2598 ( 839 PWs) bands (ev): -42.5553 -42.5553 -17.0704 -17.0704 -9.9005 -9.9005 -9.1583 -9.1583 9.0437 9.0437 11.3305 11.3305 14.3740 14.3740 14.4970 14.4970 22.7133 22.7133 23.7036 23.7036 24.1212 24.1212 26.0197 26.0197 k = 0.5369 0.1821 0.2644 ( 839 PWs) bands (ev): -42.5547 -42.5547 -17.0718 -17.0718 -9.8988 -9.8988 -9.1683 -9.1683 9.0008 9.0008 11.3862 11.3862 14.3971 14.3971 14.5273 14.5273 22.6087 22.6087 23.6918 23.6918 24.0897 24.0897 26.1793 26.1793 k = 0.5398 0.1739 0.2691 ( 839 PWs) bands (ev): -42.5542 -42.5542 -17.0733 -17.0733 -9.8971 -9.8971 -9.1788 -9.1788 8.9559 8.9559 11.4456 11.4456 14.4211 14.4211 14.5592 14.5592 22.5039 22.5039 23.6800 23.6800 24.0604 24.0604 26.3398 26.3398 k = 0.5426 0.1657 0.2737 ( 839 PWs) bands (ev): -42.5536 -42.5536 -17.0749 -17.0749 -9.8952 -9.8952 -9.1899 -9.1899 8.9092 8.9092 11.5085 11.5085 14.4458 14.4458 14.5927 14.5927 22.3986 22.3986 23.6686 23.6686 24.0336 24.0336 26.5005 26.5005 k = 0.5455 0.1575 0.2784 ( 839 PWs) bands (ev): -42.5529 -42.5529 -17.0765 -17.0765 -9.8932 -9.8932 -9.2015 -9.2015 8.8610 8.8610 11.5750 11.5750 14.4712 14.4712 14.6276 14.6276 22.2927 22.2927 23.6581 23.6581 24.0099 24.0099 26.6605 26.6605 k = 0.5483 0.1493 0.2830 ( 837 PWs) bands (ev): -42.5522 -42.5522 -17.0782 -17.0782 -9.8911 -9.8911 -9.2134 -9.2134 8.8115 8.8115 11.6447 11.6447 14.4970 14.4970 14.6639 14.6639 22.1860 22.1860 23.6486 23.6486 23.9897 23.9897 26.8187 26.8187 k = 0.5511 0.1411 0.2876 ( 837 PWs) bands (ev): -42.5516 -42.5516 -17.0800 -17.0800 -9.8889 -9.8889 -9.2258 -9.2258 8.7609 8.7609 11.7175 11.7175 14.5231 14.5231 14.7014 14.7014 22.0784 22.0784 23.6408 23.6408 23.9731 23.9731 26.9737 26.9737 k = 0.5540 0.1329 0.2923 ( 837 PWs) bands (ev): -42.5508 -42.5508 -17.0819 -17.0819 -9.8867 -9.8867 -9.2385 -9.2385 8.7094 8.7094 11.7933 11.7933 14.5492 14.5492 14.7402 14.7402 21.9699 21.9699 23.6349 23.6349 23.9604 23.9604 27.1237 27.1237 k = 0.5568 0.1247 0.2969 ( 838 PWs) bands (ev): -42.5501 -42.5501 -17.0838 -17.0838 -9.8844 -9.8844 -9.2515 -9.2515 8.6572 8.6572 11.8717 11.8717 14.5752 14.5752 14.7802 14.7802 21.8604 21.8604 23.6313 23.6313 23.9517 23.9517 27.2666 27.2666 k = 0.5597 0.1165 0.3015 ( 838 PWs) bands (ev): -42.5494 -42.5494 -17.0858 -17.0858 -9.8820 -9.8820 -9.2647 -9.2647 8.6045 8.6045 11.9527 11.9527 14.6010 14.6010 14.8213 14.8213 21.7499 21.7499 23.6302 23.6302 23.9471 23.9471 27.3997 27.3997 k = 0.5625 0.1083 0.3062 ( 832 PWs) bands (ev): -42.5486 -42.5486 -17.0876 -17.0876 -9.8794 -9.8794 -9.2779 -9.2779 8.5515 8.5515 12.0360 12.0360 14.6264 14.6264 14.8635 14.8635 21.6385 21.6385 23.6320 23.6320 23.9467 23.9467 27.5195 27.5195 k = 0.5653 0.1001 0.3108 ( 838 PWs) bands (ev): -42.5479 -42.5479 -17.0898 -17.0898 -9.8771 -9.8771 -9.2914 -9.2914 8.4982 8.4982 12.1214 12.1214 14.6512 14.6512 14.9069 14.9069 21.5263 21.5263 23.6365 23.6365 23.9506 23.9506 27.6223 27.6223 k = 0.5682 0.0919 0.3155 ( 837 PWs) bands (ev): -42.5471 -42.5471 -17.0918 -17.0918 -9.8746 -9.8746 -9.3047 -9.3047 8.4450 8.4450 12.2086 12.2086 14.6754 14.6754 14.9512 14.9512 21.4135 21.4135 23.6440 23.6440 23.9588 23.9588 27.7046 27.7046 k = 0.5710 0.0837 0.3201 ( 837 PWs) bands (ev): -42.5463 -42.5463 -17.0939 -17.0939 -9.8722 -9.8722 -9.3181 -9.3181 8.3919 8.3919 12.2973 12.2973 14.6989 14.6989 14.9965 14.9965 21.3001 21.3001 23.6542 23.6542 23.9714 23.9714 27.7637 27.7637 k = 0.5739 0.0754 0.3247 ( 837 PWs) bands (ev): -42.5455 -42.5455 -17.0960 -17.0960 -9.8697 -9.8697 -9.3313 -9.3313 8.3391 8.3391 12.3873 12.3873 14.7218 14.7218 15.0428 15.0428 21.1864 21.1864 23.6672 23.6672 23.9884 23.9884 27.7989 27.7989 k = 0.5767 0.0672 0.3294 ( 839 PWs) bands (ev): -42.5448 -42.5448 -17.0981 -17.0981 -9.8673 -9.8673 -9.3444 -9.3444 8.2867 8.2867 12.4783 12.4783 14.7438 14.7438 15.0899 15.0899 21.0725 21.0725 23.6827 23.6827 24.0100 24.0100 27.8114 27.8114 k = 0.5795 0.0590 0.3340 ( 839 PWs) bands (ev): -42.5440 -42.5440 -17.1002 -17.1002 -9.8650 -9.8650 -9.3572 -9.3572 8.2348 8.2348 12.5700 12.5700 14.7652 14.7652 15.1377 15.1377 20.9586 20.9586 23.7007 23.7007 24.0359 24.0359 27.8047 27.8047 k = 0.5824 0.0508 0.3387 ( 841 PWs) bands (ev): -42.5433 -42.5433 -17.1023 -17.1023 -9.8628 -9.8628 -9.3697 -9.3697 8.1835 8.1835 12.6621 12.6621 14.7858 14.7858 15.1863 15.1863 20.8451 20.8451 23.7209 23.7209 24.0660 24.0660 27.7827 27.7827 k = 0.5852 0.0426 0.3433 ( 837 PWs) bands (ev): -42.5425 -42.5425 -17.1042 -17.1042 -9.8605 -9.8605 -9.3816 -9.3816 8.1331 8.1331 12.7542 12.7542 14.8058 14.8058 15.2355 15.2355 20.7320 20.7320 23.7434 23.7434 24.1001 24.1001 27.7497 27.7497 k = 0.5881 0.0344 0.3479 ( 837 PWs) bands (ev): -42.5418 -42.5418 -17.1062 -17.1062 -9.8585 -9.8585 -9.3932 -9.3932 8.0834 8.0834 12.8461 12.8461 14.8251 14.8251 15.2851 15.2851 20.6195 20.6195 23.7680 23.7680 24.1378 24.1378 27.7095 27.7095 k = 0.5909 0.0262 0.3526 ( 837 PWs) bands (ev): -42.5411 -42.5411 -17.1081 -17.1081 -9.8566 -9.8566 -9.4043 -9.4043 8.0347 8.0347 12.9372 12.9372 14.8439 14.8439 15.3353 15.3353 20.5080 20.5080 23.7947 23.7947 24.1787 24.1787 27.6654 27.6654 k = 0.5938 0.0180 0.3572 ( 839 PWs) bands (ev): -42.5404 -42.5404 -17.1101 -17.1101 -9.8549 -9.8549 -9.4148 -9.4148 7.9870 7.9870 13.0274 13.0274 14.8622 14.8622 15.3857 15.3857 20.3977 20.3977 23.8234 23.8234 24.2223 24.2223 27.6203 27.6203 k = 0.5966 0.0098 0.3619 ( 837 PWs) bands (ev): -42.5398 -42.5398 -17.1118 -17.1118 -9.8534 -9.8534 -9.4245 -9.4245 7.9405 7.9405 13.1162 13.1162 14.8800 14.8800 15.4364 15.4364 20.2887 20.2887 23.8542 23.8542 24.2680 24.2680 27.5762 27.5762 k = 0.5994 0.0016 0.3665 ( 837 PWs) bands (ev): -42.5391 -42.5391 -17.1136 -17.1136 -9.8521 -9.8521 -9.4336 -9.4336 7.8951 7.8951 13.2033 13.2033 14.8975 14.8975 15.4873 15.4873 20.1812 20.1812 23.8871 23.8871 24.3152 24.3152 27.5351 27.5351 k = 0.6023-0.0066 0.3711 ( 833 PWs) bands (ev): -42.5385 -42.5385 -17.1151 -17.1151 -9.8509 -9.8509 -9.4419 -9.4419 7.8509 7.8509 13.2883 13.2883 14.9147 14.9147 15.5381 15.5381 20.0755 20.0755 23.9220 23.9220 24.3633 24.3633 27.4987 27.4987 k = 0.6051-0.0148 0.3758 ( 831 PWs) bands (ev): -42.5380 -42.5380 -17.1166 -17.1166 -9.8501 -9.8501 -9.4493 -9.4493 7.8080 7.8080 13.3709 13.3709 14.9315 14.9315 15.5890 15.5890 19.9718 19.9718 23.9589 23.9589 24.4117 24.4117 27.4684 27.4684 k = 0.6080-0.0230 0.3804 ( 831 PWs) bands (ev): -42.5375 -42.5375 -17.1180 -17.1180 -9.8496 -9.8496 -9.4560 -9.4560 7.7665 7.7665 13.4507 13.4507 14.9481 14.9481 15.6397 15.6397 19.8703 19.8703 23.9978 23.9978 24.4597 24.4597 27.4452 27.4452 k = 0.6108-0.0312 0.3851 ( 831 PWs) bands (ev): -42.5370 -42.5370 -17.1194 -17.1194 -9.8492 -9.8492 -9.4619 -9.4619 7.7263 7.7263 13.5274 13.5274 14.9644 14.9644 15.6901 15.6901 19.7712 19.7712 24.0384 24.0384 24.5069 24.5069 27.4303 27.4303 k = 0.6136-0.0394 0.3897 ( 831 PWs) bands (ev): -42.5366 -42.5366 -17.1206 -17.1206 -9.8492 -9.8492 -9.4668 -9.4668 7.6876 7.6876 13.6008 13.6008 14.9804 14.9804 15.7402 15.7402 19.6746 19.6746 24.0809 24.0809 24.5527 24.5527 27.4243 27.4243 k = 0.6165-0.0476 0.3943 ( 828 PWs) bands (ev): -42.5362 -42.5362 -17.1216 -17.1216 -9.8492 -9.8492 -9.4708 -9.4708 7.6503 7.6503 13.6706 13.6706 14.9960 14.9960 15.7899 15.7899 19.5807 19.5807 24.1249 24.1249 24.5968 24.5968 27.4275 27.4275 k = 0.6193-0.0558 0.3990 ( 828 PWs) bands (ev): -42.5359 -42.5359 -17.1225 -17.1225 -9.8496 -9.8496 -9.4739 -9.4739 7.6144 7.6144 13.7366 13.7366 15.0111 15.0111 15.8392 15.8392 19.4897 19.4897 24.1703 24.1703 24.6389 24.6389 27.4378 27.4378 k = 0.6222-0.0640 0.4036 ( 832 PWs) bands (ev): -42.5356 -42.5356 -17.1234 -17.1234 -9.8501 -9.8501 -9.4763 -9.4763 7.5801 7.5801 13.7986 13.7986 15.0255 15.0255 15.8878 15.8878 19.4017 19.4017 24.2168 24.2168 24.6791 24.6791 27.4147 27.4147 k = 0.6250-0.0722 0.4082 ( 834 PWs) bands (ev): -42.5354 -42.5354 -17.1241 -17.1241 -9.8508 -9.8508 -9.4777 -9.4777 7.5472 7.5472 13.8566 13.8566 15.0393 15.0393 15.9357 15.9357 19.3168 19.3168 24.2643 24.2643 24.7174 24.7174 27.3076 27.3076 k = 0.6250-0.0722 0.4082 ( 834 PWs) bands (ev): -42.5354 -42.5354 -17.1241 -17.1241 -9.8508 -9.8508 -9.4777 -9.4777 7.5472 7.5472 13.8566 13.8566 15.0393 15.0393 15.9357 15.9357 19.3168 19.3168 24.2643 24.2643 24.7174 24.7174 27.3076 27.3076 k = 0.6200-0.0693 0.4164 ( 831 PWs) bands (ev): -42.5354 -42.5354 -17.1240 -17.1240 -9.8506 -9.8506 -9.4779 -9.4779 7.5477 7.5477 13.8578 13.8578 15.0388 15.0388 15.9316 15.9316 19.3236 19.3236 24.2449 24.2449 24.7335 24.7335 27.2921 27.2921 k = 0.6150-0.0664 0.4246 ( 831 PWs) bands (ev): -42.5354 -42.5354 -17.1241 -17.1241 -9.8500 -9.8500 -9.4789 -9.4789 7.5490 7.5490 13.8615 13.8615 15.0372 15.0372 15.9192 15.9192 19.3440 19.3440 24.1930 24.1930 24.7754 24.7754 27.2522 27.2522 k = 0.6100-0.0635 0.4327 ( 831 PWs) bands (ev): -42.5353 -42.5353 -17.1241 -17.1241 -9.8492 -9.8492 -9.4804 -9.4804 7.5513 7.5513 13.8676 13.8676 15.0345 15.0345 15.8990 15.8990 19.3775 19.3775 24.1204 24.1204 24.8313 24.8313 27.1978 27.1978 k = 0.6050-0.0606 0.4409 ( 832 PWs) bands (ev): -42.5353 -42.5353 -17.1243 -17.1243 -9.8479 -9.8479 -9.4827 -9.4827 7.5544 7.5544 13.8762 13.8762 15.0307 15.0307 15.8718 15.8718 19.4234 19.4234 24.0353 24.0353 24.8931 24.8931 27.1345 27.1345 k = 0.6000-0.0577 0.4491 ( 832 PWs) bands (ev): -42.5352 -42.5352 -17.1245 -17.1245 -9.8463 -9.8463 -9.4854 -9.4854 7.5583 7.5583 13.8871 13.8871 15.0257 15.0257 15.8384 15.8384 19.4809 19.4809 23.9422 23.9422 24.9563 24.9563 27.0654 27.0654 k = 0.5950-0.0548 0.4572 ( 835 PWs) bands (ev): -42.5352 -42.5352 -17.1247 -17.1247 -9.8445 -9.8445 -9.4887 -9.4887 7.5630 7.5630 13.9003 13.9003 15.0192 15.0192 15.7999 15.7999 19.5490 19.5490 23.8437 23.8437 25.0186 25.0186 26.9924 26.9924 k = 0.5900-0.0520 0.4654 ( 835 PWs) bands (ev): -42.5351 -42.5351 -17.1250 -17.1250 -9.8423 -9.8423 -9.4925 -9.4925 7.5684 7.5684 13.9158 13.9158 15.0113 15.0113 15.7574 15.7574 19.6266 19.6266 23.7411 23.7411 25.0786 25.0786 26.9168 26.9168 k = 0.5850-0.0491 0.4736 ( 833 PWs) bands (ev): -42.5350 -42.5350 -17.1252 -17.1252 -9.8398 -9.8398 -9.4967 -9.4967 7.5744 7.5744 13.9334 13.9334 15.0018 15.0018 15.7122 15.7122 19.7127 19.7127 23.6353 23.6353 25.1354 25.1354 26.8400 26.8400 k = 0.5800-0.0462 0.4817 ( 833 PWs) bands (ev): -42.5349 -42.5349 -17.1254 -17.1254 -9.8370 -9.8370 -9.5014 -9.5014 7.5809 7.5809 13.9531 13.9531 14.9903 14.9903 15.6655 15.6655 19.8062 19.8062 23.5271 23.5271 25.1888 25.1888 26.7631 26.7631 k = 0.5750-0.0433 0.4899 ( 833 PWs) bands (ev): -42.5347 -42.5347 -17.1257 -17.1257 -9.8341 -9.8341 -9.5065 -9.5065 7.5878 7.5878 13.9748 13.9748 14.9766 14.9766 15.6184 15.6184 19.9061 19.9061 23.4168 23.4168 25.2382 25.2382 26.6871 26.6871 k = 0.5700-0.0404 0.4981 ( 837 PWs) bands (ev): -42.5346 -42.5346 -17.1262 -17.1262 -9.8310 -9.8310 -9.5120 -9.5120 7.5951 7.5951 13.9982 13.9982 14.9605 14.9605 15.5720 15.5720 20.0113 20.0113 23.3048 23.3048 25.2837 25.2837 26.6128 26.6128 k = 0.5650-0.0375 0.5062 ( 839 PWs) bands (ev): -42.5345 -42.5345 -17.1266 -17.1266 -9.8276 -9.8276 -9.5178 -9.5178 7.6026 7.6026 14.0234 14.0234 14.9416 14.9416 15.5276 15.5276 20.1211 20.1211 23.1914 23.1914 25.3251 25.3251 26.5412 26.5412 k = 0.5600-0.0346 0.5144 ( 839 PWs) bands (ev): -42.5344 -42.5344 -17.1269 -17.1269 -9.8241 -9.8241 -9.5236 -9.5236 7.6102 7.6102 14.0501 14.0501 14.9199 14.9199 15.4859 15.4859 20.2345 20.2345 23.0769 23.0769 25.3625 25.3625 26.4731 26.4731 k = 0.5550-0.0318 0.5226 ( 835 PWs) bands (ev): -42.5342 -42.5342 -17.1271 -17.1271 -9.8204 -9.8204 -9.5295 -9.5295 7.6178 7.6178 14.0781 14.0781 14.8950 14.8950 15.4479 15.4479 20.3509 20.3509 22.9615 22.9615 25.3958 25.3958 26.4091 26.4091 k = 0.5500-0.0289 0.5307 ( 835 PWs) bands (ev): -42.5341 -42.5341 -17.1275 -17.1275 -9.8167 -9.8167 -9.5355 -9.5355 7.6252 7.6252 14.1073 14.1073 14.8673 14.8673 15.4139 15.4139 20.4694 20.4694 22.8453 22.8453 25.4253 25.4253 26.3499 26.3499 k = 0.5450-0.0260 0.5389 ( 843 PWs) bands (ev): -42.5340 -42.5340 -17.1281 -17.1281 -9.8132 -9.8132 -9.5417 -9.5417 7.6324 7.6324 14.1373 14.1373 14.8368 14.8368 15.3843 15.3843 20.5895 20.5895 22.7285 22.7285 25.4511 25.4511 26.2959 26.2959 k = 0.5400-0.0231 0.5471 ( 843 PWs) bands (ev): -42.5338 -42.5338 -17.1284 -17.1284 -9.8096 -9.8096 -9.5475 -9.5475 7.6393 7.6393 14.1680 14.1680 14.8041 14.8041 15.3591 15.3591 20.7106 20.7106 22.6113 22.6113 25.4733 25.4733 26.2477 26.2477 k = 0.5350-0.0202 0.5552 ( 842 PWs) bands (ev): -42.5337 -42.5337 -17.1287 -17.1287 -9.8061 -9.8061 -9.5530 -9.5530 7.6457 7.6457 14.1989 14.1989 14.7701 14.7701 15.3381 15.3381 20.8322 20.8322 22.4938 22.4938 25.4921 25.4921 26.2055 26.2055 k = 0.5300-0.0173 0.5634 ( 844 PWs) bands (ev): -42.5336 -42.5336 -17.1291 -17.1291 -9.8029 -9.8029 -9.5581 -9.5581 7.6515 7.6515 14.2297 14.2297 14.7355 14.7355 15.3211 15.3211 20.9539 20.9539 22.3762 22.3762 25.5079 25.5079 26.1696 26.1696 k = 0.5250-0.0144 0.5715 ( 846 PWs) bands (ev): -42.5335 -42.5335 -17.1294 -17.1294 -9.8000 -9.8000 -9.5629 -9.5629 7.6567 7.6567 14.2597 14.2597 14.7013 14.7013 15.3075 15.3075 21.0752 21.0752 22.2584 22.2584 25.5207 25.5207 26.1401 26.1401 k = 0.5200-0.0115 0.5797 ( 850 PWs) bands (ev): -42.5334 -42.5334 -17.1298 -17.1298 -9.7975 -9.7975 -9.5670 -9.5670 7.6610 7.6610 14.2882 14.2882 14.6689 14.6689 15.2971 15.2971 21.1959 21.1959 22.1407 22.1407 25.5309 25.5309 26.1168 26.1168 k = 0.5150-0.0087 0.5879 ( 848 PWs) bands (ev): -42.5334 -42.5334 -17.1299 -17.1299 -9.7955 -9.7955 -9.5702 -9.5702 7.6646 7.6646 14.3140 14.3140 14.6397 14.6397 15.2894 15.2894 21.3158 21.3158 22.0231 22.0231 25.5385 25.5385 26.0997 26.0997 k = 0.5100-0.0058 0.5960 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1300 -17.1300 -9.7939 -9.7939 -9.5727 -9.5727 7.6672 7.6672 14.3352 14.3352 14.6159 14.6159 15.2843 15.2843 21.4346 21.4346 21.9059 21.9059 25.5439 25.5439 26.0883 26.0883 k = 0.5050-0.0029 0.6042 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.7930 -9.7930 -9.5742 -9.5742 7.6688 7.6688 14.3494 14.3494 14.6000 14.6000 15.2813 15.2813 21.5520 21.5520 21.7894 21.7894 25.5470 25.5470 26.0821 26.0821 k = 0.5000 0.0000 0.6124 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.7927 -9.7927 -9.5747 -9.5747 7.6693 7.6693 14.3544 14.3544 14.5944 14.5944 15.2804 15.2804 21.6512 21.6512 21.6904 21.6904 25.5480 25.5480 26.0803 26.0803 k = 0.5000 0.0000 0.6124 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.7927 -9.7927 -9.5747 -9.5747 7.6693 7.6693 14.3544 14.3544 14.5944 14.5944 15.2804 15.2804 21.6512 21.6512 21.6904 21.6904 25.5480 25.5480 26.0803 26.0803 k = 0.5000 0.0058 0.6042 ( 848 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.7930 -9.7930 -9.5741 -9.5741 7.6706 7.6706 14.3406 14.3406 14.6031 14.6031 15.2816 15.2816 21.6506 21.6506 21.6903 21.6903 25.5462 25.5462 26.0866 26.0866 k = 0.5000 0.0115 0.5960 ( 848 PWs) bands (ev): -42.5334 -42.5334 -17.1299 -17.1299 -9.7938 -9.7938 -9.5723 -9.5723 7.6745 7.6745 14.3039 14.3039 14.6243 14.6243 15.2854 15.2854 21.6486 21.6486 21.6899 21.6899 25.5408 25.5408 26.1056 26.1056 k = 0.5000 0.0173 0.5879 ( 848 PWs) bands (ev): -42.5335 -42.5335 -17.1295 -17.1295 -9.7951 -9.7951 -9.5694 -9.5694 7.6809 7.6809 14.2524 14.2524 14.6504 14.6504 15.2913 15.2913 21.6454 21.6454 21.6896 21.6896 25.5317 25.5317 26.1372 26.1372 k = 0.5000 0.0231 0.5797 ( 848 PWs) bands (ev): -42.5337 -42.5337 -17.1290 -17.1290 -9.7969 -9.7969 -9.5654 -9.5654 7.6900 7.6900 14.1913 14.1913 14.6766 14.6766 15.2990 15.2990 21.6413 21.6413 21.6895 21.6895 25.5187 25.5187 26.1811 26.1811 k = 0.5000 0.0289 0.5715 ( 844 PWs) bands (ev): -42.5339 -42.5339 -17.1283 -17.1283 -9.7990 -9.7990 -9.5602 -9.5602 7.7015 7.7015 14.1234 14.1234 14.7005 14.7005 15.3076 15.3076 21.6366 21.6366 21.6899 21.6899 25.5016 25.5016 26.2370 26.2370 k = 0.5000 0.0346 0.5634 ( 846 PWs) bands (ev): -42.5341 -42.5341 -17.1276 -17.1276 -9.8016 -9.8016 -9.5542 -9.5542 7.7156 7.7156 14.0504 14.0504 14.7215 14.7215 15.3167 15.3167 21.6320 21.6320 21.6911 21.6911 25.4806 25.4806 26.3043 26.3043 k = 0.5000 0.0404 0.5552 ( 848 PWs) bands (ev): -42.5345 -42.5345 -17.1267 -17.1267 -9.8046 -9.8046 -9.5472 -9.5472 7.7322 7.7322 13.9731 13.9731 14.7393 14.7393 15.3252 15.3252 21.6280 21.6280 21.6932 21.6932 25.4558 25.4558 26.3821 26.3821 k = 0.5000 0.0462 0.5471 ( 842 PWs) bands (ev): -42.5348 -42.5348 -17.1255 -17.1255 -9.8076 -9.8076 -9.5393 -9.5393 7.7513 7.7513 13.8924 13.8924 14.7538 14.7538 15.3327 15.3327 21.6255 21.6255 21.6964 21.6964 25.4273 25.4273 26.4698 26.4698 k = 0.5000 0.0520 0.5389 ( 842 PWs) bands (ev): -42.5352 -42.5352 -17.1244 -17.1244 -9.8109 -9.8109 -9.5307 -9.5307 7.7728 7.7728 13.8087 13.8087 14.7654 14.7654 15.3381 15.3381 21.6251 21.6251 21.7011 21.7011 25.3954 25.3954 26.5662 26.5662 k = 0.5000 0.0577 0.5307 ( 842 PWs) bands (ev): -42.5357 -42.5357 -17.1231 -17.1231 -9.8145 -9.8145 -9.5213 -9.5213 7.7967 7.7967 13.7225 13.7225 14.7743 14.7743 15.3411 15.3411 21.6272 21.6272 21.7075 21.7075 25.3604 25.3604 26.6705 26.6705 k = 0.5000 0.0635 0.5226 ( 838 PWs) bands (ev): -42.5362 -42.5362 -17.1216 -17.1216 -9.8180 -9.8180 -9.5112 -9.5112 7.8229 7.8229 13.6342 13.6342 14.7807 14.7807 15.3411 15.3411 21.6321 21.6321 21.7162 21.7162 25.3227 25.3227 26.7818 26.7818 k = 0.5000 0.0693 0.5144 ( 840 PWs) bands (ev): -42.5367 -42.5367 -17.1202 -17.1202 -9.8218 -9.8218 -9.5006 -9.5006 7.8513 7.8513 13.5440 13.5440 14.7848 14.7848 15.3378 15.3378 21.6400 21.6400 21.7278 21.7278 25.2824 25.2824 26.8989 26.8989 k = 0.5000 0.0751 0.5062 ( 840 PWs) bands (ev): -42.5373 -42.5373 -17.1186 -17.1186 -9.8256 -9.8256 -9.4894 -9.4894 7.8820 7.8820 13.4524 13.4524 14.7868 14.7868 15.3308 15.3308 21.6506 21.6506 21.7432 21.7432 25.2401 25.2401 27.0210 27.0210 k = 0.5000 0.0808 0.4981 ( 840 PWs) bands (ev): -42.5379 -42.5379 -17.1170 -17.1170 -9.8294 -9.8294 -9.4777 -9.4777 7.9148 7.9148 13.3595 13.3595 14.7870 14.7870 15.3200 15.3200 21.6636 21.6636 21.7633 21.7633 25.1960 25.1960 27.1469 27.1469 k = 0.5000 0.0866 0.4899 ( 840 PWs) bands (ev): -42.5385 -42.5385 -17.1152 -17.1152 -9.8332 -9.8332 -9.4655 -9.4655 7.9497 7.9497 13.2657 13.2657 14.7852 14.7852 15.3055 15.3055 21.6785 21.6785 21.7889 21.7889 25.1504 25.1504 27.2757 27.2757 k = 0.5000 0.0924 0.4817 ( 840 PWs) bands (ev): -42.5391 -42.5391 -17.1134 -17.1134 -9.8370 -9.8370 -9.4529 -9.4529 7.9865 7.9865 13.1711 13.1711 14.7817 14.7817 15.2872 15.2872 21.6949 21.6949 21.8208 21.8208 25.1036 25.1036 27.4057 27.4057 k = 0.5000 0.0981 0.4736 ( 830 PWs) bands (ev): -42.5398 -42.5398 -17.1112 -17.1112 -9.8405 -9.8405 -9.4397 -9.4397 8.0253 8.0253 13.0760 13.0760 14.7766 14.7766 15.2654 15.2654 21.7128 21.7128 21.8594 21.8594 25.0559 25.0559 27.5348 27.5348 k = 0.5000 0.1039 0.4654 ( 832 PWs) bands (ev): -42.5405 -42.5405 -17.1093 -17.1093 -9.8443 -9.8443 -9.4264 -9.4264 8.0659 8.0659 12.9806 12.9806 14.7697 14.7697 15.2402 15.2402 21.7322 21.7322 21.9045 21.9045 25.0076 25.0076 27.6589 27.6589 k = 0.5000 0.1097 0.4572 ( 832 PWs) bands (ev): -42.5413 -42.5413 -17.1073 -17.1073 -9.8479 -9.8479 -9.4128 -9.4128 8.1081 8.1081 12.8851 12.8851 14.7613 14.7613 15.2120 15.2120 21.7534 21.7534 21.9559 21.9559 24.9590 24.9590 27.7692 27.7692 k = 0.5000 0.1155 0.4491 ( 836 PWs) bands (ev): -42.5420 -42.5420 -17.1054 -17.1054 -9.8516 -9.8516 -9.3991 -9.3991 8.1519 8.1519 12.7898 12.7898 14.7512 14.7512 15.1809 15.1809 21.7768 21.7768 22.0134 22.0134 24.9104 24.9104 27.8500 27.8500 k = 0.5000 0.1212 0.4409 ( 836 PWs) bands (ev): -42.5428 -42.5428 -17.1033 -17.1033 -9.8551 -9.8551 -9.3850 -9.3850 8.1972 8.1972 12.6949 12.6949 14.7395 14.7395 15.1475 15.1475 21.8025 21.8025 22.0766 22.0766 24.8619 24.8619 27.8912 27.8912 k = 0.5000 0.1270 0.4327 ( 836 PWs) bands (ev): -42.5436 -42.5436 -17.1012 -17.1012 -9.8586 -9.8586 -9.3708 -9.3708 8.2439 8.2439 12.6006 12.6006 14.7263 14.7263 15.1119 15.1119 21.8309 21.8309 22.1450 22.1450 24.8138 24.8138 27.8995 27.8995 k = 0.5000 0.1328 0.4246 ( 834 PWs) bands (ev): -42.5443 -42.5443 -17.0990 -17.0990 -9.8619 -9.8619 -9.3564 -9.3564 8.2917 8.2917 12.5070 12.5070 14.7116 14.7116 15.0746 15.0746 21.8621 21.8621 22.2182 22.2182 24.7662 24.7662 27.8835 27.8835 k = 0.5000 0.1386 0.4164 ( 838 PWs) bands (ev): -42.5452 -42.5452 -17.0970 -17.0970 -9.8653 -9.8653 -9.3421 -9.3421 8.3407 8.3407 12.4145 12.4145 14.6954 14.6954 15.0359 15.0359 21.8964 21.8964 22.2956 22.2956 24.7196 24.7196 27.8467 27.8467 k = 0.5000 0.1443 0.4082 ( 838 PWs) bands (ev): -42.5459 -42.5459 -17.0948 -17.0948 -9.8685 -9.8685 -9.3277 -9.3277 8.3905 8.3905 12.3231 12.3231 14.6778 14.6778 14.9961 14.9961 21.9340 21.9340 22.3769 22.3769 24.6739 24.6739 27.7901 27.7901 k = 0.5000 0.1501 0.4001 ( 838 PWs) bands (ev): -42.5467 -42.5467 -17.0927 -17.0927 -9.8716 -9.8716 -9.3133 -9.3133 8.4411 8.4411 12.2333 12.2333 14.6588 14.6588 14.9557 14.9557 21.9750 21.9750 22.4614 22.4614 24.6294 24.6294 27.7148 27.7148 k = 0.5000 0.1559 0.3919 ( 838 PWs) bands (ev): -42.5475 -42.5475 -17.0906 -17.0906 -9.8746 -9.8746 -9.2989 -9.2989 8.4923 8.4923 12.1450 12.1450 14.6385 14.6385 14.9148 14.9148 22.0195 22.0195 22.5486 22.5486 24.5864 24.5864 27.6219 27.6219 k = 0.5000 0.1617 0.3838 ( 836 PWs) bands (ev): -42.5483 -42.5483 -17.0884 -17.0884 -9.8774 -9.8774 -9.2847 -9.2847 8.5439 8.5439 12.0586 12.0586 14.6171 14.6171 14.8738 14.8738 22.0676 22.0676 22.6379 22.6379 24.5449 24.5449 27.5135 27.5135 k = 0.5000 0.1674 0.3756 ( 834 PWs) bands (ev): -42.5491 -42.5491 -17.0863 -17.0863 -9.8801 -9.8801 -9.2706 -9.2706 8.5958 8.5958 11.9743 11.9743 14.5947 14.5947 14.8329 14.8329 22.1195 22.1195 22.7289 22.7289 24.5052 24.5052 27.3919 27.3919 k = 0.5000 0.1732 0.3674 ( 834 PWs) bands (ev): -42.5499 -42.5499 -17.0843 -17.0843 -9.8828 -9.8828 -9.2568 -9.2568 8.6476 8.6476 11.8922 11.8922 14.5715 14.5715 14.7924 14.7924 22.1752 22.1752 22.8207 22.8207 24.4675 24.4675 27.2596 27.2596 k = 0.5000 0.1790 0.3593 ( 834 PWs) bands (ev): -42.5506 -42.5506 -17.0824 -17.0824 -9.8854 -9.8854 -9.2433 -9.2433 8.6993 8.6993 11.8126 11.8126 14.5475 14.5475 14.7525 14.7525 22.2347 22.2347 22.9128 22.9128 24.4320 24.4320 27.1187 27.1187 k = 0.5000 0.1848 0.3511 ( 834 PWs) bands (ev): -42.5513 -42.5513 -17.0804 -17.0804 -9.8878 -9.8878 -9.2300 -9.2300 8.7505 8.7505 11.7356 11.7356 14.5230 14.5230 14.7133 14.7133 22.2981 22.2981 23.0045 23.0045 24.3989 24.3989 26.9714 26.9714 k = 0.5000 0.1905 0.3429 ( 836 PWs) bands (ev): -42.5520 -42.5520 -17.0787 -17.0787 -9.8902 -9.8902 -9.2173 -9.2173 8.8012 8.8012 11.6615 11.6615 14.4983 14.4983 14.6751 14.6751 22.3654 22.3654 23.0950 23.0950 24.3685 24.3685 26.8194 26.8194 k = 0.5000 0.1963 0.3348 ( 836 PWs) bands (ev): -42.5527 -42.5527 -17.0769 -17.0769 -9.8924 -9.8924 -9.2048 -9.2048 8.8509 8.8509 11.5905 11.5905 14.4734 14.4734 14.6379 14.6379 22.4366 22.4366 23.1834 23.1834 24.3412 24.3412 26.6641 26.6641 k = 0.5000 0.2021 0.3266 ( 834 PWs) bands (ev): -42.5534 -42.5534 -17.0751 -17.0751 -9.8945 -9.8945 -9.1928 -9.1928 8.8995 8.8995 11.5227 11.5227 14.4486 14.4486 14.6020 14.6020 22.5116 22.5116 23.2690 23.2690 24.3173 24.3173 26.5068 26.5068 k = 0.5000 0.2078 0.3184 ( 836 PWs) bands (ev): -42.5540 -42.5540 -17.0736 -17.0736 -9.8965 -9.8965 -9.1814 -9.1814 8.9468 8.9468 11.4583 11.4583 14.4242 14.4242 14.5675 14.5675 22.5904 22.5904 23.3506 23.3506 24.2972 24.2972 26.3484 26.3484 k = 0.5000 0.2136 0.3103 ( 836 PWs) bands (ev): -42.5546 -42.5546 -17.0720 -17.0720 -9.8983 -9.8983 -9.1705 -9.1705 8.9924 8.9924 11.3975 11.3975 14.4004 14.4004 14.5345 14.5345 22.6730 22.6730 23.4273 23.4273 24.2815 24.2815 26.1897 26.1897 k = 0.5000 0.2194 0.3021 ( 836 PWs) bands (ev): -42.5552 -42.5552 -17.0706 -17.0706 -9.9001 -9.9001 -9.1602 -9.1602 9.0362 9.0362 11.3404 11.3404 14.3773 14.3773 14.5032 14.5032 22.7591 22.7591 23.4978 23.4978 24.2708 24.2708 26.0315 26.0315 k = 0.5000 0.2252 0.2939 ( 836 PWs) bands (ev): -42.5557 -42.5557 -17.0693 -17.0693 -9.9017 -9.9017 -9.1505 -9.1505 9.0777 9.0777 11.2873 11.2873 14.3551 14.3551 14.4738 14.4738 22.8487 22.8487 23.5611 23.5611 24.2656 24.2656 25.8745 25.8745 k = 0.5000 0.2309 0.2858 ( 834 PWs) bands (ev): -42.5562 -42.5562 -17.0680 -17.0680 -9.9031 -9.9031 -9.1415 -9.1415 9.1169 9.1169 11.2382 11.2382 14.3341 14.3341 14.4464 14.4464 22.9415 22.9415 23.6161 23.6161 24.2664 24.2664 25.7190 25.7190 k = 0.5000 0.2367 0.2776 ( 836 PWs) bands (ev): -42.5566 -42.5566 -17.0669 -17.0669 -9.9045 -9.9045 -9.1333 -9.1333 9.1533 9.1533 11.1933 11.1933 14.3144 14.3144 14.4211 14.4211 23.0372 23.0372 23.6621 23.6621 24.2732 24.2732 25.5659 25.5659 k = 0.5000 0.2425 0.2694 ( 836 PWs) bands (ev): -42.5570 -42.5570 -17.0659 -17.0659 -9.9057 -9.9057 -9.1259 -9.1259 9.1867 9.1867 11.1527 11.1527 14.2962 14.2962 14.3981 14.3981 23.1355 23.1355 23.6991 23.6991 24.2856 24.2856 25.4156 25.4156 k = 0.5000 0.2483 0.2613 ( 838 PWs) bands (ev): -42.5574 -42.5574 -17.0650 -17.0650 -9.9067 -9.9067 -9.1193 -9.1193 9.2169 9.2169 11.1166 11.1166 14.2796 14.2796 14.3776 14.3776 23.2358 23.2358 23.7275 23.7275 24.3026 24.3026 25.2688 25.2688 k = 0.5000 0.2540 0.2531 ( 842 PWs) bands (ev): -42.5577 -42.5577 -17.0643 -17.0643 -9.9077 -9.9077 -9.1136 -9.1136 9.2436 9.2436 11.0850 11.0850 14.2647 14.2647 14.3596 14.3596 23.3371 23.3371 23.7485 23.7485 24.3227 24.3227 25.1265 25.1265 k = 0.5000 0.2598 0.2449 ( 842 PWs) bands (ev): -42.5580 -42.5580 -17.0636 -17.0636 -9.9085 -9.9085 -9.1086 -9.1086 9.2667 9.2667 11.0582 11.0582 14.2519 14.2519 14.3442 14.3442 23.4383 23.4383 23.7633 23.7633 24.3442 24.3442 24.9899 24.9899 k = 0.5000 0.2656 0.2368 ( 842 PWs) bands (ev): -42.5582 -42.5582 -17.0631 -17.0631 -9.9091 -9.9091 -9.1045 -9.1045 9.2858 9.2858 11.0360 11.0360 14.2411 14.2411 14.3316 14.3316 23.5370 23.5370 23.7735 23.7735 24.3655 24.3655 24.8610 24.8610 k = 0.5000 0.2714 0.2286 ( 840 PWs) bands (ev): -42.5584 -42.5584 -17.0626 -17.0626 -9.9096 -9.9096 -9.1013 -9.1013 9.3010 9.3010 11.0187 11.0187 14.2326 14.2326 14.3218 14.3218 23.6296 23.6296 23.7802 23.7802 24.3859 24.3859 24.7428 24.7428 k = 0.5000 0.2771 0.2205 ( 834 PWs) bands (ev): -42.5585 -42.5585 -17.0621 -17.0621 -9.9098 -9.9098 -9.0988 -9.0988 9.3119 9.3119 11.0064 11.0064 14.2264 14.2264 14.3147 14.3147 23.7094 23.7094 23.7843 23.7843 24.4054 24.4054 24.6405 24.6405 k = 0.5000 0.2829 0.2123 ( 832 PWs) bands (ev): -42.5586 -42.5586 -17.0618 -17.0618 -9.9100 -9.9100 -9.0974 -9.0974 9.3184 9.3184 10.9989 10.9989 14.2226 14.2226 14.3105 14.3105 23.7660 23.7660 23.7867 23.7867 24.4247 24.4247 24.5630 24.5630 k = 0.5000 0.2887 0.2041 ( 832 PWs) bands (ev): -42.5586 -42.5586 -17.0618 -17.0618 -9.9100 -9.9100 -9.0969 -9.0969 9.3206 9.3206 10.9964 10.9964 14.2214 14.2214 14.3091 14.3091 23.7850 23.7850 23.7895 23.7895 24.4367 24.4367 24.5296 24.5296 k = 0.5000 0.2887 0.2041 ( 832 PWs) bands (ev): -42.5586 -42.5586 -17.0618 -17.0618 -9.9100 -9.9100 -9.0969 -9.0969 9.3206 9.3206 10.9964 10.9964 14.2214 14.2214 14.3091 14.3091 23.7850 23.7850 23.7895 23.7895 24.4367 24.4367 24.5296 24.5296 k = 0.4972 0.2870 0.2134 ( 832 PWs) bands (ev): -42.5586 -42.5586 -17.0618 -17.0618 -9.9100 -9.9100 -9.0974 -9.0974 9.3185 9.3185 10.9988 10.9988 14.2226 14.2226 14.3104 14.3104 23.7666 23.7666 23.7868 23.7868 24.4250 24.4250 24.5621 24.5621 k = 0.4943 0.2854 0.2227 ( 834 PWs) bands (ev): -42.5585 -42.5585 -17.0621 -17.0621 -9.9098 -9.9098 -9.0988 -9.0988 9.3121 9.3121 11.0060 11.0060 14.2262 14.2262 14.3145 14.3145 23.7115 23.7115 23.7846 23.7846 24.4059 24.4059 24.6377 24.6377 k = 0.4915 0.2838 0.2320 ( 839 PWs) bands (ev): -42.5584 -42.5584 -17.0625 -17.0625 -9.9096 -9.9096 -9.1011 -9.1011 9.3016 9.3016 11.0180 11.0180 14.2322 14.2322 14.3214 14.3214 23.6331 23.6331 23.7813 23.7813 24.3864 24.3864 24.7377 24.7377 k = 0.4886 0.2821 0.2412 ( 839 PWs) bands (ev): -42.5582 -42.5582 -17.0630 -17.0630 -9.9091 -9.9091 -9.1042 -9.1042 9.2869 9.2869 11.0348 11.0348 14.2405 14.2405 14.3309 14.3309 23.5416 23.5416 23.7767 23.7767 24.3651 24.3651 24.8537 24.8537 k = 0.4858 0.2805 0.2505 ( 841 PWs) bands (ev): -42.5580 -42.5580 -17.0636 -17.0636 -9.9085 -9.9085 -9.1082 -9.1082 9.2683 9.2683 11.0562 11.0562 14.2509 14.2509 14.3431 14.3431 23.4429 23.4429 23.7709 23.7709 24.3413 24.3413 24.9807 24.9807 k = 0.4830 0.2788 0.2598 ( 845 PWs) bands (ev): -42.5578 -42.5578 -17.0643 -17.0643 -9.9078 -9.9078 -9.1132 -9.1132 9.2460 9.2460 11.0823 11.0823 14.2634 14.2634 14.3580 14.3580 23.3406 23.3406 23.7640 23.7640 24.3147 24.3147 25.1156 25.1156 k = 0.4801 0.2772 0.2691 ( 841 PWs) bands (ev): -42.5575 -42.5575 -17.0650 -17.0650 -9.9069 -9.9069 -9.1187 -9.1187 9.2200 9.2200 11.1129 11.1129 14.2779 14.2779 14.3754 14.3754 23.2366 23.2366 23.7560 23.7560 24.2855 24.2855 25.2567 25.2567 k = 0.4773 0.2756 0.2784 ( 841 PWs) bands (ev): -42.5571 -42.5571 -17.0659 -17.0659 -9.9059 -9.9059 -9.1251 -9.1251 9.1907 9.1907 11.1479 11.1479 14.2941 14.2941 14.3953 14.3953 23.1320 23.1320 23.7470 23.7470 24.2541 24.2541 25.4026 25.4026 k = 0.4744 0.2739 0.2876 ( 839 PWs) bands (ev): -42.5567 -42.5567 -17.0668 -17.0668 -9.9047 -9.9047 -9.1323 -9.1323 9.1581 9.1581 11.1873 11.1873 14.3119 14.3119 14.4175 14.4175 23.0272 23.0272 23.7371 23.7371 24.2213 24.2213 25.5525 25.5525 k = 0.4716 0.2723 0.2969 ( 837 PWs) bands (ev): -42.5563 -42.5563 -17.0679 -17.0679 -9.9034 -9.9034 -9.1402 -9.1402 9.1226 9.1226 11.2310 11.2310 14.3313 14.3313 14.4420 14.4420 22.9224 22.9224 23.7265 23.7265 24.1877 24.1877 25.7057 25.7057 k = 0.4688 0.2706 0.3062 ( 841 PWs) bands (ev): -42.5558 -42.5558 -17.0692 -17.0692 -9.9021 -9.9021 -9.1490 -9.1490 9.0844 9.0844 11.2787 11.2787 14.3520 14.3520 14.4685 14.4685 22.8179 22.8179 23.7153 23.7153 24.1541 24.1541 25.8616 25.8616 k = 0.4659 0.2690 0.3155 ( 839 PWs) bands (ev): -42.5553 -42.5553 -17.0704 -17.0704 -9.9005 -9.9005 -9.1583 -9.1583 9.0437 9.0437 11.3305 11.3305 14.3740 14.3740 14.4970 14.4970 22.7133 22.7133 23.7036 23.7036 24.1212 24.1212 26.0197 26.0197 k = 0.4631 0.2674 0.3247 ( 839 PWs) bands (ev): -42.5547 -42.5547 -17.0718 -17.0718 -9.8988 -9.8988 -9.1683 -9.1683 9.0008 9.0008 11.3862 11.3862 14.3971 14.3971 14.5273 14.5273 22.6087 22.6087 23.6918 23.6918 24.0897 24.0897 26.1793 26.1793 k = 0.4602 0.2657 0.3340 ( 839 PWs) bands (ev): -42.5542 -42.5542 -17.0733 -17.0733 -9.8971 -9.8971 -9.1788 -9.1788 8.9559 8.9559 11.4456 11.4456 14.4211 14.4211 14.5592 14.5592 22.5039 22.5039 23.6800 23.6800 24.0604 24.0604 26.3398 26.3398 k = 0.4574 0.2641 0.3433 ( 839 PWs) bands (ev): -42.5536 -42.5536 -17.0749 -17.0749 -9.8952 -9.8952 -9.1899 -9.1899 8.9092 8.9092 11.5085 11.5085 14.4458 14.4458 14.5927 14.5927 22.3986 22.3986 23.6686 23.6686 24.0336 24.0336 26.5005 26.5005 k = 0.4545 0.2624 0.3526 ( 839 PWs) bands (ev): -42.5529 -42.5529 -17.0765 -17.0765 -9.8932 -9.8932 -9.2015 -9.2015 8.8610 8.8610 11.5750 11.5750 14.4712 14.4712 14.6276 14.6276 22.2927 22.2927 23.6581 23.6581 24.0099 24.0099 26.6605 26.6605 k = 0.4517 0.2608 0.3619 ( 837 PWs) bands (ev): -42.5522 -42.5522 -17.0782 -17.0782 -9.8911 -9.8911 -9.2134 -9.2134 8.8115 8.8115 11.6447 11.6447 14.4970 14.4970 14.6639 14.6639 22.1860 22.1860 23.6486 23.6486 23.9897 23.9897 26.8187 26.8187 k = 0.4489 0.2592 0.3711 ( 837 PWs) bands (ev): -42.5516 -42.5516 -17.0800 -17.0800 -9.8889 -9.8889 -9.2258 -9.2258 8.7609 8.7609 11.7175 11.7175 14.5231 14.5231 14.7014 14.7014 22.0784 22.0784 23.6408 23.6408 23.9731 23.9731 26.9737 26.9737 k = 0.4460 0.2575 0.3804 ( 837 PWs) bands (ev): -42.5508 -42.5508 -17.0819 -17.0819 -9.8867 -9.8867 -9.2385 -9.2385 8.7094 8.7094 11.7933 11.7933 14.5492 14.5492 14.7402 14.7402 21.9699 21.9699 23.6349 23.6349 23.9604 23.9604 27.1237 27.1237 k = 0.4432 0.2559 0.3897 ( 838 PWs) bands (ev): -42.5501 -42.5501 -17.0838 -17.0838 -9.8844 -9.8844 -9.2515 -9.2515 8.6572 8.6572 11.8717 11.8717 14.5752 14.5752 14.7802 14.7802 21.8604 21.8604 23.6313 23.6313 23.9517 23.9517 27.2666 27.2666 k = 0.4403 0.2542 0.3990 ( 838 PWs) bands (ev): -42.5494 -42.5494 -17.0858 -17.0858 -9.8820 -9.8820 -9.2647 -9.2647 8.6045 8.6045 11.9527 11.9527 14.6010 14.6010 14.8213 14.8213 21.7499 21.7499 23.6302 23.6302 23.9471 23.9471 27.3997 27.3997 k = 0.4375 0.2526 0.4082 ( 832 PWs) bands (ev): -42.5486 -42.5486 -17.0876 -17.0876 -9.8794 -9.8794 -9.2779 -9.2779 8.5515 8.5515 12.0360 12.0360 14.6264 14.6264 14.8635 14.8635 21.6385 21.6385 23.6320 23.6320 23.9467 23.9467 27.5195 27.5195 k = 0.4347 0.2510 0.4175 ( 838 PWs) bands (ev): -42.5479 -42.5479 -17.0898 -17.0898 -9.8771 -9.8771 -9.2914 -9.2914 8.4982 8.4982 12.1214 12.1214 14.6512 14.6512 14.9069 14.9069 21.5263 21.5263 23.6365 23.6365 23.9506 23.9506 27.6223 27.6223 k = 0.4318 0.2493 0.4268 ( 837 PWs) bands (ev): -42.5471 -42.5471 -17.0918 -17.0918 -9.8746 -9.8746 -9.3047 -9.3047 8.4450 8.4450 12.2086 12.2086 14.6754 14.6754 14.9512 14.9512 21.4135 21.4135 23.6440 23.6440 23.9588 23.9588 27.7046 27.7046 k = 0.4290 0.2477 0.4361 ( 837 PWs) bands (ev): -42.5463 -42.5463 -17.0939 -17.0939 -9.8722 -9.8722 -9.3181 -9.3181 8.3919 8.3919 12.2973 12.2973 14.6989 14.6989 14.9965 14.9965 21.3001 21.3001 23.6542 23.6542 23.9714 23.9714 27.7637 27.7637 k = 0.4261 0.2460 0.4454 ( 837 PWs) bands (ev): -42.5455 -42.5455 -17.0960 -17.0960 -9.8697 -9.8697 -9.3313 -9.3313 8.3391 8.3391 12.3873 12.3873 14.7218 14.7218 15.0428 15.0428 21.1864 21.1864 23.6672 23.6672 23.9884 23.9884 27.7989 27.7989 k = 0.4233 0.2444 0.4546 ( 839 PWs) bands (ev): -42.5448 -42.5448 -17.0981 -17.0981 -9.8673 -9.8673 -9.3444 -9.3444 8.2867 8.2867 12.4783 12.4783 14.7438 14.7438 15.0899 15.0899 21.0725 21.0725 23.6827 23.6827 24.0100 24.0100 27.8114 27.8114 k = 0.4205 0.2427 0.4639 ( 839 PWs) bands (ev): -42.5440 -42.5440 -17.1002 -17.1002 -9.8650 -9.8650 -9.3572 -9.3572 8.2348 8.2348 12.5700 12.5700 14.7652 14.7652 15.1377 15.1377 20.9586 20.9586 23.7007 23.7007 24.0359 24.0359 27.8047 27.8047 k = 0.4176 0.2411 0.4732 ( 841 PWs) bands (ev): -42.5433 -42.5433 -17.1023 -17.1023 -9.8628 -9.8628 -9.3697 -9.3697 8.1835 8.1835 12.6621 12.6621 14.7858 14.7858 15.1863 15.1863 20.8451 20.8451 23.7209 23.7209 24.0660 24.0660 27.7827 27.7827 k = 0.4148 0.2395 0.4825 ( 837 PWs) bands (ev): -42.5425 -42.5425 -17.1042 -17.1042 -9.8605 -9.8605 -9.3816 -9.3816 8.1331 8.1331 12.7542 12.7542 14.8058 14.8058 15.2355 15.2355 20.7320 20.7320 23.7434 23.7434 24.1001 24.1001 27.7497 27.7497 k = 0.4119 0.2378 0.4918 ( 837 PWs) bands (ev): -42.5418 -42.5418 -17.1062 -17.1062 -9.8585 -9.8585 -9.3932 -9.3932 8.0834 8.0834 12.8461 12.8461 14.8251 14.8251 15.2851 15.2851 20.6195 20.6195 23.7680 23.7680 24.1378 24.1378 27.7095 27.7095 k = 0.4091 0.2362 0.5010 ( 837 PWs) bands (ev): -42.5411 -42.5411 -17.1081 -17.1081 -9.8566 -9.8566 -9.4043 -9.4043 8.0347 8.0347 12.9372 12.9372 14.8439 14.8439 15.3353 15.3353 20.5080 20.5080 23.7947 23.7947 24.1787 24.1787 27.6654 27.6654 k = 0.4062 0.2345 0.5103 ( 839 PWs) bands (ev): -42.5404 -42.5404 -17.1101 -17.1101 -9.8549 -9.8549 -9.4148 -9.4148 7.9870 7.9870 13.0274 13.0274 14.8622 14.8622 15.3857 15.3857 20.3977 20.3977 23.8234 23.8234 24.2223 24.2223 27.6203 27.6203 k = 0.4034 0.2329 0.5196 ( 837 PWs) bands (ev): -42.5398 -42.5398 -17.1118 -17.1118 -9.8534 -9.8534 -9.4245 -9.4245 7.9405 7.9405 13.1162 13.1162 14.8800 14.8800 15.4364 15.4364 20.2887 20.2887 23.8542 23.8542 24.2680 24.2680 27.5762 27.5762 k = 0.4006 0.2313 0.5289 ( 837 PWs) bands (ev): -42.5391 -42.5391 -17.1136 -17.1136 -9.8521 -9.8521 -9.4336 -9.4336 7.8951 7.8951 13.2033 13.2033 14.8975 14.8975 15.4873 15.4873 20.1812 20.1812 23.8871 23.8871 24.3152 24.3152 27.5351 27.5351 k = 0.3977 0.2296 0.5381 ( 833 PWs) bands (ev): -42.5385 -42.5385 -17.1151 -17.1151 -9.8509 -9.8509 -9.4419 -9.4419 7.8509 7.8509 13.2883 13.2883 14.9147 14.9147 15.5381 15.5381 20.0755 20.0755 23.9220 23.9220 24.3633 24.3633 27.4987 27.4987 k = 0.3949 0.2280 0.5474 ( 831 PWs) bands (ev): -42.5380 -42.5380 -17.1166 -17.1166 -9.8501 -9.8501 -9.4493 -9.4493 7.8080 7.8080 13.3709 13.3709 14.9315 14.9315 15.5890 15.5890 19.9718 19.9718 23.9589 23.9589 24.4117 24.4117 27.4684 27.4684 k = 0.3920 0.2263 0.5567 ( 831 PWs) bands (ev): -42.5375 -42.5375 -17.1180 -17.1180 -9.8496 -9.8496 -9.4560 -9.4560 7.7665 7.7665 13.4507 13.4507 14.9481 14.9481 15.6397 15.6397 19.8703 19.8703 23.9978 23.9978 24.4597 24.4597 27.4452 27.4452 k = 0.3892 0.2247 0.5660 ( 831 PWs) bands (ev): -42.5370 -42.5370 -17.1194 -17.1194 -9.8492 -9.8492 -9.4619 -9.4619 7.7263 7.7263 13.5274 13.5274 14.9644 14.9644 15.6901 15.6901 19.7712 19.7712 24.0384 24.0384 24.5069 24.5069 27.4303 27.4303 k = 0.3864 0.2231 0.5753 ( 831 PWs) bands (ev): -42.5366 -42.5366 -17.1206 -17.1206 -9.8492 -9.8492 -9.4668 -9.4668 7.6876 7.6876 13.6008 13.6008 14.9804 14.9804 15.7402 15.7402 19.6746 19.6746 24.0809 24.0809 24.5527 24.5527 27.4243 27.4243 k = 0.3835 0.2214 0.5845 ( 828 PWs) bands (ev): -42.5362 -42.5362 -17.1216 -17.1216 -9.8492 -9.8492 -9.4708 -9.4708 7.6503 7.6503 13.6706 13.6706 14.9960 14.9960 15.7899 15.7899 19.5807 19.5807 24.1249 24.1249 24.5968 24.5968 27.4275 27.4275 k = 0.3807 0.2198 0.5938 ( 828 PWs) bands (ev): -42.5359 -42.5359 -17.1225 -17.1225 -9.8496 -9.8496 -9.4739 -9.4739 7.6144 7.6144 13.7366 13.7366 15.0111 15.0111 15.8392 15.8392 19.4897 19.4897 24.1703 24.1703 24.6389 24.6389 27.4378 27.4378 k = 0.3778 0.2181 0.6031 ( 832 PWs) bands (ev): -42.5356 -42.5356 -17.1234 -17.1234 -9.8501 -9.8501 -9.4763 -9.4763 7.5801 7.5801 13.7986 13.7986 15.0255 15.0255 15.8878 15.8878 19.4017 19.4017 24.2168 24.2168 24.6791 24.6791 27.4147 27.4147 k = 0.3750 0.2165 0.6124 ( 834 PWs) bands (ev): -42.5354 -42.5354 -17.1241 -17.1241 -9.8508 -9.8508 -9.4777 -9.4777 7.5472 7.5472 13.8566 13.8566 15.0393 15.0393 15.9357 15.9357 19.3168 19.3168 24.2643 24.2643 24.7174 24.7174 27.3076 27.3076 k = 0.6250-0.0722 0.4082 ( 834 PWs) bands (ev): -42.5354 -42.5354 -17.1241 -17.1241 -9.8508 -9.8508 -9.4777 -9.4777 7.5472 7.5472 13.8566 13.8566 15.0393 15.0393 15.9357 15.9357 19.3168 19.3168 24.2643 24.2643 24.7174 24.7174 27.3076 27.3076 k = 0.6200-0.0808 0.4082 ( 834 PWs) bands (ev): -42.5351 -42.5351 -17.1250 -17.1250 -9.8520 -9.8520 -9.4791 -9.4791 7.4910 7.4910 13.9542 13.9542 15.0631 15.0631 16.0206 16.0206 19.1732 19.1732 24.3474 24.3474 24.7823 24.7823 27.1022 27.1022 k = 0.6150-0.0895 0.4082 ( 834 PWs) bands (ev): -42.5348 -42.5348 -17.1258 -17.1258 -9.8535 -9.8535 -9.4797 -9.4797 7.4354 7.4354 14.0502 14.0502 15.0878 15.0878 16.1075 16.1075 19.0360 19.0360 24.4278 24.4278 24.8453 24.8453 26.8976 26.8976 k = 0.6100-0.0981 0.4082 ( 834 PWs) bands (ev): -42.5346 -42.5346 -17.1265 -17.1265 -9.8552 -9.8552 -9.4797 -9.4797 7.3808 7.3808 14.1440 14.1440 15.1132 15.1132 16.1960 16.1960 18.9055 18.9055 24.5054 24.5054 24.9063 24.9063 26.6958 26.6958 k = 0.6050-0.1068 0.4082 ( 840 PWs) bands (ev): -42.5344 -42.5344 -17.1273 -17.1273 -9.8572 -9.8572 -9.4791 -9.4791 7.3273 7.3273 14.2352 14.2352 15.1392 15.1392 16.2860 16.2860 18.7818 18.7818 24.5801 24.5801 24.9648 24.9648 26.4977 26.4977 k = 0.6000-0.1155 0.4082 ( 842 PWs) bands (ev): -42.5342 -42.5342 -17.1279 -17.1279 -9.8593 -9.8593 -9.4779 -9.4779 7.2750 7.2750 14.3232 14.3232 15.1659 15.1659 16.3769 16.3769 18.6651 18.6651 24.6517 24.6517 25.0202 25.0202 26.3044 26.3044 k = 0.5950-0.1241 0.4082 ( 842 PWs) bands (ev): -42.5340 -42.5340 -17.1284 -17.1284 -9.8615 -9.8615 -9.4760 -9.4760 7.2243 7.2243 14.4077 14.4077 15.1930 15.1930 16.4686 16.4686 18.5557 18.5557 24.7201 24.7201 25.0712 25.0712 26.1175 26.1175 k = 0.5900-0.1328 0.4082 ( 842 PWs) bands (ev): -42.5339 -42.5339 -17.1288 -17.1288 -9.8640 -9.8640 -9.4737 -9.4737 7.1751 7.1751 14.4883 14.4883 15.2205 15.2205 16.5606 16.5606 18.4538 18.4538 24.7851 24.7851 25.1159 25.1159 25.9395 25.9395 k = 0.5850-0.1415 0.4082 ( 834 PWs) bands (ev): -42.5337 -42.5337 -17.1289 -17.1289 -9.8663 -9.8663 -9.4709 -9.4709 7.1278 7.1278 14.5646 14.5646 15.2481 15.2481 16.6524 16.6524 18.3596 18.3596 24.8466 24.8466 25.1493 25.1493 25.7756 25.7756 k = 0.5800-0.1501 0.4082 ( 834 PWs) bands (ev): -42.5336 -42.5336 -17.1292 -17.1292 -9.8689 -9.8689 -9.4678 -9.4678 7.0825 7.0825 14.6363 14.6363 15.2756 15.2756 16.7435 16.7435 18.2733 18.2733 24.9044 24.9044 25.1607 25.1607 25.6372 25.6372 k = 0.5750-0.1588 0.4082 ( 828 PWs) bands (ev): -42.5335 -42.5335 -17.1293 -17.1293 -9.8715 -9.8715 -9.4643 -9.4643 7.0391 7.0391 14.7033 14.7033 15.3026 15.3026 16.8334 16.8334 18.1950 18.1950 24.9575 24.9575 25.1305 25.1305 25.5451 25.5451 k = 0.5700-0.1674 0.4082 ( 828 PWs) bands (ev): -42.5335 -42.5335 -17.1295 -17.1295 -9.8742 -9.8742 -9.4608 -9.4608 6.9980 6.9980 14.7654 14.7654 15.3289 15.3289 16.9213 16.9213 18.1250 18.1250 24.9960 24.9960 25.0572 25.0572 25.5110 25.5110 k = 0.5650-0.1761 0.4082 ( 828 PWs) bands (ev): -42.5334 -42.5334 -17.1297 -17.1297 -9.8769 -9.8769 -9.4572 -9.4572 6.9592 6.9592 14.8227 14.8227 15.3540 15.3540 17.0065 17.0065 18.0634 18.0634 24.9142 24.9142 25.0658 25.0658 25.5162 25.5162 k = 0.5600-0.1848 0.4082 ( 828 PWs) bands (ev): -42.5334 -42.5334 -17.1298 -17.1298 -9.8795 -9.8795 -9.4535 -9.4535 6.9229 6.9229 14.8753 14.8753 15.3775 15.3775 17.0882 17.0882 18.0104 18.0104 24.7838 24.7838 25.1070 25.1070 25.5387 25.5387 k = 0.5550-0.1934 0.4082 ( 824 PWs) bands (ev): -42.5333 -42.5333 -17.1298 -17.1298 -9.8820 -9.8820 -9.4498 -9.4498 6.8891 6.8891 14.9233 14.9233 15.3990 15.3990 17.1654 17.1654 17.9662 17.9662 24.6505 24.6505 25.1468 25.1468 25.5675 25.5675 k = 0.5500-0.2021 0.4082 ( 828 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.8845 -9.8845 -9.4463 -9.4463 6.8578 6.8578 14.9668 14.9668 15.4183 15.4183 17.2369 17.2369 17.9309 17.9309 24.5209 24.5209 25.1834 25.1834 25.5980 25.5980 k = 0.5450-0.2107 0.4082 ( 828 PWs) bands (ev): -42.5333 -42.5333 -17.1301 -17.1301 -9.8868 -9.8868 -9.4429 -9.4429 6.8293 6.8293 15.0062 15.0062 15.4349 15.4349 17.3014 17.3014 17.9046 17.9046 24.3983 24.3983 25.2166 25.2166 25.6280 25.6280 k = 0.5400-0.2194 0.4082 ( 828 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.8889 -9.8889 -9.4396 -9.4396 6.8036 6.8036 15.0415 15.0415 15.4489 15.4489 17.3578 17.3578 17.8875 17.8875 24.2845 24.2845 25.2463 25.2463 25.6563 25.6563 k = 0.5350-0.2281 0.4082 ( 828 PWs) bands (ev): -42.5333 -42.5333 -17.1302 -17.1302 -9.8909 -9.8909 -9.4367 -9.4367 6.7808 6.7808 15.0729 15.0729 15.4602 15.4602 17.4051 17.4051 17.8792 17.8792 24.1809 24.1809 25.2726 25.2726 25.6822 25.6822 k = 0.5300-0.2367 0.4082 ( 828 PWs) bands (ev): -42.5333 -42.5333 -17.1303 -17.1303 -9.8926 -9.8926 -9.4340 -9.4340 6.7609 6.7609 15.1004 15.1004 15.4689 15.4689 17.4428 17.4428 17.8789 17.8789 24.0886 24.0886 25.2954 25.2954 25.7052 25.7052 k = 0.5250-0.2454 0.4082 ( 828 PWs) bands (ev): -42.5333 -42.5333 -17.1303 -17.1303 -9.8941 -9.8941 -9.4317 -9.4317 6.7439 6.7439 15.1241 15.1241 15.4753 15.4753 17.4712 17.4712 17.8848 17.8848 24.0087 24.0087 25.3146 25.3146 25.7251 25.7251 k = 0.5200-0.2540 0.4082 ( 828 PWs) bands (ev): -42.5333 -42.5333 -17.1303 -17.1303 -9.8953 -9.8953 -9.4298 -9.4298 6.7300 6.7300 15.1439 15.1439 15.4796 15.4796 17.4916 17.4916 17.8947 17.8947 23.9420 23.9420 25.3304 25.3304 25.7417 25.7417 k = 0.5150-0.2627 0.4082 ( 828 PWs) bands (ev): -42.5333 -42.5333 -17.1303 -17.1303 -9.8963 -9.8963 -9.4282 -9.4282 6.7191 6.7191 15.1595 15.1595 15.4824 15.4824 17.5054 17.5054 17.9057 17.9057 23.8893 23.8893 25.3427 25.3427 25.7547 25.7547 k = 0.5100-0.2714 0.4082 ( 832 PWs) bands (ev): -42.5333 -42.5333 -17.1304 -17.1304 -9.8970 -9.8970 -9.4272 -9.4272 6.7113 6.7113 15.1709 15.1709 15.4841 15.4841 17.5141 17.5141 17.9154 17.9154 23.8512 23.8512 25.3514 25.3514 25.7641 25.7641 k = 0.5050-0.2800 0.4082 ( 846 PWs) bands (ev): -42.5333 -42.5333 -17.1309 -17.1309 -9.8977 -9.8977 -9.4269 -9.4269 6.7065 6.7065 15.1778 15.1778 15.4848 15.4848 17.5188 17.5188 17.9219 17.9219 23.8282 23.8282 25.3567 25.3567 25.7697 25.7697 k = 0.5000-0.2887 0.4082 ( 846 PWs) bands (ev): -42.5333 -42.5333 -17.1309 -17.1309 -9.8979 -9.8979 -9.4266 -9.4266 6.7050 6.7050 15.1801 15.1801 15.4851 15.4851 17.5203 17.5203 17.9242 17.9242 23.8204 23.8204 25.3584 25.3584 25.7716 25.7716 Writing output data file HfC.save init_run : 0.12s CPU 0.37s WALL ( 1 calls) electrons : 31.73s CPU 34.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 31.72s CPU 34.50s 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 : 0.04s CPU 0.03s WALL ( 467 calls) cegterg : 28.72s CPU 29.48s WALL ( 493 calls) Called by sum_band: Called by *egterg: h_psi : 13.74s CPU 14.08s WALL ( 6247 calls) s_psi : 0.46s CPU 0.49s WALL ( 6247 calls) g_psi : 0.04s CPU 0.03s WALL ( 5287 calls) cdiaghg : 14.53s CPU 15.07s WALL ( 5754 calls) cegterg:over : 0.88s CPU 0.88s WALL ( 5287 calls) cegterg:upda : 0.58s CPU 0.60s WALL ( 5287 calls) cegterg:last : 0.31s CPU 0.33s WALL ( 1250 calls) cdiaghg:chol : 0.72s CPU 0.77s WALL ( 5754 calls) cdiaghg:inve : 0.24s CPU 0.29s WALL ( 5754 calls) cdiaghg:para : 0.91s CPU 0.98s WALL ( 11508 calls) Called by h_psi: h_psi:vloc : 12.54s CPU 12.86s WALL ( 6247 calls) h_psi:vnl : 1.18s CPU 1.20s WALL ( 6247 calls) add_vuspsi : 0.59s CPU 0.64s WALL ( 6247 calls) General routines calbec : 0.57s CPU 0.54s WALL ( 6247 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.87s CPU 12.21s WALL ( 379288 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.14s WALL ( 934 calls) Parallel routines fft_scatter : 6.48s CPU 6.72s WALL ( 379311 calls) PWSCF : 0m39.24s CPU 1m15.91s WALL This run was terminated on: 16:58:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=