Program PWSCF v.5.1.1 starts on 26Aug2015 at 7:21:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CuN.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 16 9 2 297 125 19 Max 17 10 3 301 135 25 Sum 769 439 139 14331 6231 1067 bravais-lattice index = 14 lattice parameter (alat) = 5.9329 a.u. unit-cell volume = 147.6677 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.932897 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cu 11.00 63.54600 Cu( 1.00) N 5.00 14.00670 N( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 472 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 2) = ( 0.0070422 -0.0040658 0.0057500), wk = 0.0021186 k( 3) = ( 0.0140845 -0.0081317 0.0115000), wk = 0.0021186 k( 4) = ( 0.0211268 -0.0121975 0.0172499), wk = 0.0021186 k( 5) = ( 0.0281690 -0.0162634 0.0229999), wk = 0.0021186 k( 6) = ( 0.0352113 -0.0203292 0.0287499), wk = 0.0021186 k( 7) = ( 0.0422535 -0.0243951 0.0344999), wk = 0.0021186 k( 8) = ( 0.0492958 -0.0284609 0.0402498), wk = 0.0021186 k( 9) = ( 0.0563380 -0.0325268 0.0459998), wk = 0.0021186 k( 10) = ( 0.0633803 -0.0365926 0.0517498), wk = 0.0021186 k( 11) = ( 0.0704225 -0.0406585 0.0574998), wk = 0.0021186 k( 12) = ( 0.0774648 -0.0447243 0.0632497), wk = 0.0021186 k( 13) = ( 0.0845070 -0.0487902 0.0689997), wk = 0.0021186 k( 14) = ( 0.0915493 -0.0528560 0.0747497), wk = 0.0021186 k( 15) = ( 0.0985916 -0.0569219 0.0804997), wk = 0.0021186 k( 16) = ( 0.1056338 -0.0609877 0.0862496), wk = 0.0021186 k( 17) = ( 0.1126761 -0.0650536 0.0919996), wk = 0.0021186 k( 18) = ( 0.1197183 -0.0691194 0.0977496), wk = 0.0021186 k( 19) = ( 0.1267606 -0.0731852 0.1034996), wk = 0.0021186 k( 20) = ( 0.1338028 -0.0772511 0.1092495), wk = 0.0021186 k( 21) = ( 0.1408451 -0.0813169 0.1149995), wk = 0.0021186 k( 22) = ( 0.1478873 -0.0853828 0.1207495), wk = 0.0021186 k( 23) = ( 0.1549296 -0.0894486 0.1264995), wk = 0.0021186 k( 24) = ( 0.1619718 -0.0935145 0.1322494), wk = 0.0021186 k( 25) = ( 0.1690141 -0.0975803 0.1379994), wk = 0.0021186 k( 26) = ( 0.1760563 -0.1016462 0.1437494), wk = 0.0021186 k( 27) = ( 0.1830986 -0.1057120 0.1494994), wk = 0.0021186 k( 28) = ( 0.1901409 -0.1097779 0.1552494), wk = 0.0021186 k( 29) = ( 0.1971831 -0.1138437 0.1609993), wk = 0.0021186 k( 30) = ( 0.2042253 -0.1179096 0.1667493), wk = 0.0021186 k( 31) = ( 0.2112676 -0.1219754 0.1724993), wk = 0.0021186 k( 32) = ( 0.2183099 -0.1260413 0.1782493), wk = 0.0021186 k( 33) = ( 0.2253521 -0.1301071 0.1839992), wk = 0.0021186 k( 34) = ( 0.2323944 -0.1341730 0.1897492), wk = 0.0021186 k( 35) = ( 0.2394366 -0.1382388 0.1954992), wk = 0.0021186 k( 36) = ( 0.2464789 -0.1423046 0.2012492), wk = 0.0021186 k( 37) = ( 0.2535211 -0.1463705 0.2069991), wk = 0.0021186 k( 38) = ( 0.2605634 -0.1504363 0.2127491), wk = 0.0021186 k( 39) = ( 0.2676056 -0.1545022 0.2184991), wk = 0.0021186 k( 40) = ( 0.2746479 -0.1585680 0.2242491), wk = 0.0021186 k( 41) = ( 0.2816901 -0.1626339 0.2299990), wk = 0.0021186 k( 42) = ( 0.2887324 -0.1666997 0.2357490), wk = 0.0021186 k( 43) = ( 0.2957746 -0.1707656 0.2414990), wk = 0.0021186 k( 44) = ( 0.3028169 -0.1748314 0.2472490), wk = 0.0021186 k( 45) = ( 0.3098592 -0.1788973 0.2529989), wk = 0.0021186 k( 46) = ( 0.3169014 -0.1829631 0.2587489), wk = 0.0021186 k( 47) = ( 0.3239437 -0.1870290 0.2644989), wk = 0.0021186 k( 48) = ( 0.3309859 -0.1910948 0.2702489), wk = 0.0021186 k( 49) = ( 0.3380282 -0.1951607 0.2759988), wk = 0.0021186 k( 50) = ( 0.3450704 -0.1992265 0.2817488), wk = 0.0021186 k( 51) = ( 0.3521127 -0.2032924 0.2874988), wk = 0.0021186 k( 52) = ( 0.3591549 -0.2073582 0.2932488), wk = 0.0021186 k( 53) = ( 0.3661972 -0.2114240 0.2989987), wk = 0.0021186 k( 54) = ( 0.3732394 -0.2154899 0.3047487), wk = 0.0021186 k( 55) = ( 0.3802817 -0.2195557 0.3104987), wk = 0.0021186 k( 56) = ( 0.3873239 -0.2236216 0.3162487), wk = 0.0021186 k( 57) = ( 0.3943662 -0.2276874 0.3219987), wk = 0.0021186 k( 58) = ( 0.4014085 -0.2317533 0.3277486), wk = 0.0021186 k( 59) = ( 0.4084507 -0.2358191 0.3334986), wk = 0.0021186 k( 60) = ( 0.4154930 -0.2398850 0.3392486), wk = 0.0021186 k( 61) = ( 0.4225352 -0.2439508 0.3449986), wk = 0.0021186 k( 62) = ( 0.4295775 -0.2480167 0.3507485), wk = 0.0021186 k( 63) = ( 0.4366197 -0.2520825 0.3564985), wk = 0.0021186 k( 64) = ( 0.4436620 -0.2561484 0.3622485), wk = 0.0021186 k( 65) = ( 0.4507042 -0.2602142 0.3679985), wk = 0.0021186 k( 66) = ( 0.4577465 -0.2642801 0.3737484), wk = 0.0021186 k( 67) = ( 0.4647887 -0.2683459 0.3794984), wk = 0.0021186 k( 68) = ( 0.4718310 -0.2724117 0.3852484), wk = 0.0021186 k( 69) = ( 0.4788732 -0.2764776 0.3909984), wk = 0.0021186 k( 70) = ( 0.4859155 -0.2805434 0.3967483), wk = 0.0021186 k( 71) = ( 0.4929577 -0.2846093 0.4024983), wk = 0.0021186 k( 72) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021186 k( 73) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021186 k( 74) = ( 0.5000000 -0.2806564 0.4139184), wk = 0.0021186 k( 75) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0021186 k( 76) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0021186 k( 77) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0021186 k( 78) = ( 0.5000000 -0.2485814 0.4365989), wk = 0.0021186 k( 79) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0021186 k( 80) = ( 0.5000000 -0.2325439 0.4479391), wk = 0.0021186 k( 81) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0021186 k( 82) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0021186 k( 83) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0021186 k( 84) = ( 0.5000000 -0.2004688 0.4706196), wk = 0.0021186 k( 85) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0021186 k( 86) = ( 0.5000000 -0.1844313 0.4819598), wk = 0.0021186 k( 87) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0021186 k( 88) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0021186 k( 89) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0021186 k( 90) = ( 0.5000000 -0.1523563 0.5046403), wk = 0.0021186 k( 91) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0021186 k( 92) = ( 0.5000000 -0.1363188 0.5159805), wk = 0.0021186 k( 93) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0021186 k( 94) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0021186 k( 95) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0021186 k( 96) = ( 0.5000000 -0.1042438 0.5386609), wk = 0.0021186 k( 97) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0021186 k( 98) = ( 0.5000000 -0.0882063 0.5500012), wk = 0.0021186 k( 99) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0021186 k( 100) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0021186 k( 101) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0021186 k( 102) = ( 0.5000000 -0.0561313 0.5726816), wk = 0.0021186 k( 103) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0021186 k( 104) = ( 0.5000000 -0.0400938 0.5840219), wk = 0.0021186 k( 105) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0021186 k( 106) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0021186 k( 107) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0021186 k( 108) = ( 0.5000000 -0.0080187 0.6067023), wk = 0.0021186 k( 109) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021186 k( 110) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021186 k( 111) = ( 0.4951923 0.0083272 0.6123724), wk = 0.0021186 k( 112) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0021186 k( 113) = ( 0.4855769 0.0249815 0.6123724), wk = 0.0021186 k( 114) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0021186 k( 115) = ( 0.4759615 0.0416358 0.6123724), wk = 0.0021186 k( 116) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0021186 k( 117) = ( 0.4663462 0.0582902 0.6123724), wk = 0.0021186 k( 118) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0021186 k( 119) = ( 0.4567308 0.0749445 0.6123724), wk = 0.0021186 k( 120) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0021186 k( 121) = ( 0.4471154 0.0915988 0.6123724), wk = 0.0021186 k( 122) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0021186 k( 123) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0021186 k( 124) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0021186 k( 125) = ( 0.4278846 0.1249075 0.6123724), wk = 0.0021186 k( 126) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0021186 k( 127) = ( 0.4182692 0.1415618 0.6123724), wk = 0.0021186 k( 128) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0021186 k( 129) = ( 0.4086538 0.1582162 0.6123724), wk = 0.0021186 k( 130) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0021186 k( 131) = ( 0.3990385 0.1748705 0.6123724), wk = 0.0021186 k( 132) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0021186 k( 133) = ( 0.3894231 0.1915248 0.6123724), wk = 0.0021186 k( 134) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0021186 k( 135) = ( 0.3798077 0.2081792 0.6123724), wk = 0.0021186 k( 136) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021186 k( 137) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021186 k( 138) = ( 0.3700658 0.2136576 0.6043149), wk = 0.0021186 k( 139) = ( 0.3651316 0.2108088 0.5962574), wk = 0.0021186 k( 140) = ( 0.3601974 0.2079600 0.5881998), wk = 0.0021186 k( 141) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0021186 k( 142) = ( 0.3503289 0.2022625 0.5720848), wk = 0.0021186 k( 143) = ( 0.3453947 0.1994137 0.5640272), wk = 0.0021186 k( 144) = ( 0.3404605 0.1965650 0.5559697), wk = 0.0021186 k( 145) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0021186 k( 146) = ( 0.3305921 0.1908674 0.5398546), wk = 0.0021186 k( 147) = ( 0.3256579 0.1880187 0.5317971), wk = 0.0021186 k( 148) = ( 0.3207237 0.1851699 0.5237396), wk = 0.0021186 k( 149) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0021186 k( 150) = ( 0.3108553 0.1794724 0.5076245), wk = 0.0021186 k( 151) = ( 0.3059211 0.1766236 0.4995670), wk = 0.0021186 k( 152) = ( 0.3009868 0.1737748 0.4915095), wk = 0.0021186 k( 153) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0021186 k( 154) = ( 0.2911184 0.1680773 0.4753944), wk = 0.0021186 k( 155) = ( 0.2861842 0.1652285 0.4673369), wk = 0.0021186 k( 156) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0021186 k( 157) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0021186 k( 158) = ( 0.2713816 0.1566822 0.4431643), wk = 0.0021186 k( 159) = ( 0.2664474 0.1538335 0.4351067), wk = 0.0021186 k( 160) = ( 0.2615132 0.1509847 0.4270492), wk = 0.0021186 k( 161) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0021186 k( 162) = ( 0.2516447 0.1452872 0.4109341), wk = 0.0021186 k( 163) = ( 0.2467105 0.1424384 0.4028766), wk = 0.0021186 k( 164) = ( 0.2417763 0.1395896 0.3948191), wk = 0.0021186 k( 165) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0021186 k( 166) = ( 0.2319079 0.1338921 0.3787040), wk = 0.0021186 k( 167) = ( 0.2269737 0.1310433 0.3706465), wk = 0.0021186 k( 168) = ( 0.2220395 0.1281945 0.3625889), wk = 0.0021186 k( 169) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0021186 k( 170) = ( 0.2121710 0.1224970 0.3464739), wk = 0.0021186 k( 171) = ( 0.2072368 0.1196482 0.3384163), wk = 0.0021186 k( 172) = ( 0.2023026 0.1167995 0.3303588), wk = 0.0021186 k( 173) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0021186 k( 174) = ( 0.1924342 0.1111019 0.3142437), wk = 0.0021186 k( 175) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0021186 k( 176) = ( 0.1825658 0.1054044 0.2981287), wk = 0.0021186 k( 177) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0021186 k( 178) = ( 0.1726974 0.0997069 0.2820136), wk = 0.0021186 k( 179) = ( 0.1677632 0.0968581 0.2739561), wk = 0.0021186 k( 180) = ( 0.1628290 0.0940093 0.2658985), wk = 0.0021186 k( 181) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0021186 k( 182) = ( 0.1529605 0.0883118 0.2497835), wk = 0.0021186 k( 183) = ( 0.1480263 0.0854630 0.2417260), wk = 0.0021186 k( 184) = ( 0.1430921 0.0826143 0.2336684), wk = 0.0021186 k( 185) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0021186 k( 186) = ( 0.1332237 0.0769167 0.2175534), wk = 0.0021186 k( 187) = ( 0.1282895 0.0740680 0.2094958), wk = 0.0021186 k( 188) = ( 0.1233553 0.0712192 0.2014383), wk = 0.0021186 k( 189) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0021186 k( 190) = ( 0.1134868 0.0655217 0.1853232), wk = 0.0021186 k( 191) = ( 0.1085526 0.0626729 0.1772657), wk = 0.0021186 k( 192) = ( 0.1036184 0.0598241 0.1692082), wk = 0.0021186 k( 193) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0021186 k( 194) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0021186 k( 195) = ( 0.0888158 0.0512778 0.1450356), wk = 0.0021186 k( 196) = ( 0.0838816 0.0484291 0.1369780), wk = 0.0021186 k( 197) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0021186 k( 198) = ( 0.0740132 0.0427315 0.1208630), wk = 0.0021186 k( 199) = ( 0.0690790 0.0398828 0.1128054), wk = 0.0021186 k( 200) = ( 0.0641447 0.0370340 0.1047479), wk = 0.0021186 k( 201) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0021186 k( 202) = ( 0.0542763 0.0313364 0.0886328), wk = 0.0021186 k( 203) = ( 0.0493421 0.0284877 0.0805753), wk = 0.0021186 k( 204) = ( 0.0444079 0.0256389 0.0725178), wk = 0.0021186 k( 205) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0021186 k( 206) = ( 0.0345395 0.0199414 0.0564027), wk = 0.0021186 k( 207) = ( 0.0296053 0.0170926 0.0483452), wk = 0.0021186 k( 208) = ( 0.0246710 0.0142438 0.0402877), wk = 0.0021186 k( 209) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0021186 k( 210) = ( 0.0148026 0.0085463 0.0241726), wk = 0.0021186 k( 211) = ( 0.0098684 0.0056975 0.0161151), wk = 0.0021186 k( 212) = ( 0.0049342 0.0028488 0.0080575), wk = 0.0021186 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 215) = ( 0.0080645 0.0046561 0.0032923), wk = 0.0021186 k( 216) = ( 0.0161290 0.0093121 0.0065846), wk = 0.0021186 k( 217) = ( 0.0241936 0.0139682 0.0098770), wk = 0.0021186 k( 218) = ( 0.0322581 0.0186242 0.0131693), wk = 0.0021186 k( 219) = ( 0.0403226 0.0232803 0.0164616), wk = 0.0021186 k( 220) = ( 0.0483871 0.0279363 0.0197540), wk = 0.0021186 k( 221) = ( 0.0564516 0.0325924 0.0230463), wk = 0.0021186 k( 222) = ( 0.0645161 0.0372484 0.0263386), wk = 0.0021186 k( 223) = ( 0.0725806 0.0419045 0.0296309), wk = 0.0021186 k( 224) = ( 0.0806452 0.0465605 0.0329232), wk = 0.0021186 k( 225) = ( 0.0887097 0.0512166 0.0362156), wk = 0.0021186 k( 226) = ( 0.0967742 0.0558726 0.0395079), wk = 0.0021186 k( 227) = ( 0.1048387 0.0605287 0.0428002), wk = 0.0021186 k( 228) = ( 0.1129032 0.0651847 0.0460926), wk = 0.0021186 k( 229) = ( 0.1209677 0.0698408 0.0493849), wk = 0.0021186 k( 230) = ( 0.1290323 0.0744968 0.0526772), wk = 0.0021186 k( 231) = ( 0.1370968 0.0791529 0.0559695), wk = 0.0021186 k( 232) = ( 0.1451613 0.0838089 0.0592618), wk = 0.0021186 k( 233) = ( 0.1532258 0.0884650 0.0625542), wk = 0.0021186 k( 234) = ( 0.1612903 0.0931210 0.0658465), wk = 0.0021186 k( 235) = ( 0.1693548 0.0977771 0.0691388), wk = 0.0021186 k( 236) = ( 0.1774194 0.1024331 0.0724311), wk = 0.0021186 k( 237) = ( 0.1854839 0.1070892 0.0757235), wk = 0.0021186 k( 238) = ( 0.1935484 0.1117452 0.0790158), wk = 0.0021186 k( 239) = ( 0.2016129 0.1164013 0.0823081), wk = 0.0021186 k( 240) = ( 0.2096774 0.1210573 0.0856004), wk = 0.0021186 k( 241) = ( 0.2177419 0.1257134 0.0888928), wk = 0.0021186 k( 242) = ( 0.2258064 0.1303694 0.0921851), wk = 0.0021186 k( 243) = ( 0.2338710 0.1350255 0.0954774), wk = 0.0021186 k( 244) = ( 0.2419355 0.1396815 0.0987697), wk = 0.0021186 k( 245) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0021186 k( 246) = ( 0.2580645 0.1489936 0.1053544), wk = 0.0021186 k( 247) = ( 0.2661290 0.1536497 0.1086467), wk = 0.0021186 k( 248) = ( 0.2741936 0.1583057 0.1119390), wk = 0.0021186 k( 249) = ( 0.2822581 0.1629618 0.1152314), wk = 0.0021186 k( 250) = ( 0.2903226 0.1676178 0.1185237), wk = 0.0021186 k( 251) = ( 0.2983871 0.1722739 0.1218160), wk = 0.0021186 k( 252) = ( 0.3064516 0.1769299 0.1251083), wk = 0.0021186 k( 253) = ( 0.3145161 0.1815860 0.1284007), wk = 0.0021186 k( 254) = ( 0.3225807 0.1862420 0.1316930), wk = 0.0021186 k( 255) = ( 0.3306452 0.1908981 0.1349853), wk = 0.0021186 k( 256) = ( 0.3387097 0.1955541 0.1382776), wk = 0.0021186 k( 257) = ( 0.3467742 0.2002102 0.1415700), wk = 0.0021186 k( 258) = ( 0.3548387 0.2048662 0.1448623), wk = 0.0021186 k( 259) = ( 0.3629032 0.2095223 0.1481546), wk = 0.0021186 k( 260) = ( 0.3709677 0.2141783 0.1514469), wk = 0.0021186 k( 261) = ( 0.3790323 0.2188344 0.1547393), wk = 0.0021186 k( 262) = ( 0.3870968 0.2234904 0.1580316), wk = 0.0021186 k( 263) = ( 0.3951613 0.2281465 0.1613239), wk = 0.0021186 k( 264) = ( 0.4032258 0.2328025 0.1646162), wk = 0.0021186 k( 265) = ( 0.4112903 0.2374586 0.1679086), wk = 0.0021186 k( 266) = ( 0.4193548 0.2421146 0.1712009), wk = 0.0021186 k( 267) = ( 0.4274193 0.2467707 0.1744932), wk = 0.0021186 k( 268) = ( 0.4354839 0.2514267 0.1777855), wk = 0.0021186 k( 269) = ( 0.4435484 0.2560828 0.1810779), wk = 0.0021186 k( 270) = ( 0.4516129 0.2607388 0.1843702), wk = 0.0021186 k( 271) = ( 0.4596774 0.2653949 0.1876625), wk = 0.0021186 k( 272) = ( 0.4677419 0.2700509 0.1909548), wk = 0.0021186 k( 273) = ( 0.4758064 0.2747070 0.1942472), wk = 0.0021186 k( 274) = ( 0.4838710 0.2793630 0.1975395), wk = 0.0021186 k( 275) = ( 0.4919355 0.2840191 0.2008318), wk = 0.0021186 k( 276) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021186 k( 277) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021186 k( 278) = ( 0.5028409 0.2804741 0.2087633), wk = 0.0021186 k( 279) = ( 0.5056818 0.2722731 0.2134025), wk = 0.0021186 k( 280) = ( 0.5085227 0.2640721 0.2180417), wk = 0.0021186 k( 281) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0021186 k( 282) = ( 0.5142045 0.2476701 0.2273201), wk = 0.0021186 k( 283) = ( 0.5170455 0.2394691 0.2319593), wk = 0.0021186 k( 284) = ( 0.5198864 0.2312681 0.2365984), wk = 0.0021186 k( 285) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0021186 k( 286) = ( 0.5255682 0.2148662 0.2458768), wk = 0.0021186 k( 287) = ( 0.5284091 0.2066652 0.2505160), wk = 0.0021186 k( 288) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0021186 k( 289) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0021186 k( 290) = ( 0.5369318 0.1820622 0.2644336), wk = 0.0021186 k( 291) = ( 0.5397727 0.1738612 0.2690727), wk = 0.0021186 k( 292) = ( 0.5426136 0.1656602 0.2737119), wk = 0.0021186 k( 293) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0021186 k( 294) = ( 0.5482955 0.1492582 0.2829903), wk = 0.0021186 k( 295) = ( 0.5511364 0.1410572 0.2876295), wk = 0.0021186 k( 296) = ( 0.5539773 0.1328562 0.2922687), wk = 0.0021186 k( 297) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0021186 k( 298) = ( 0.5596591 0.1164542 0.3015470), wk = 0.0021186 k( 299) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0021186 k( 300) = ( 0.5653409 0.1000522 0.3108254), wk = 0.0021186 k( 301) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0021186 k( 302) = ( 0.5710227 0.0836502 0.3201038), wk = 0.0021186 k( 303) = ( 0.5738636 0.0754492 0.3247430), wk = 0.0021186 k( 304) = ( 0.5767045 0.0672482 0.3293821), wk = 0.0021186 k( 305) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0021186 k( 306) = ( 0.5823864 0.0508462 0.3386605), wk = 0.0021186 k( 307) = ( 0.5852273 0.0426452 0.3432997), wk = 0.0021186 k( 308) = ( 0.5880682 0.0344442 0.3479389), wk = 0.0021186 k( 309) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0021186 k( 310) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0021186 k( 311) = ( 0.5965909 0.0098412 0.3618564), wk = 0.0021186 k( 312) = ( 0.5994318 0.0016402 0.3664956), wk = 0.0021186 k( 313) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0021186 k( 314) = ( 0.6051136 -0.0147618 0.3757740), wk = 0.0021186 k( 315) = ( 0.6079545 -0.0229628 0.3804132), wk = 0.0021186 k( 316) = ( 0.6107955 -0.0311638 0.3850524), wk = 0.0021186 k( 317) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0021186 k( 318) = ( 0.6164773 -0.0475658 0.3943307), wk = 0.0021186 k( 319) = ( 0.6193182 -0.0557668 0.3989699), wk = 0.0021186 k( 320) = ( 0.6221591 -0.0639678 0.4036091), wk = 0.0021186 k( 321) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021186 k( 322) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021186 k( 323) = ( 0.6201923 -0.0693931 0.4160992), wk = 0.0021186 k( 324) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0021186 k( 325) = ( 0.6105769 -0.0638416 0.4318011), wk = 0.0021186 k( 326) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0021186 k( 327) = ( 0.6009615 -0.0582902 0.4475029), wk = 0.0021186 k( 328) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0021186 k( 329) = ( 0.5913462 -0.0527387 0.4632048), wk = 0.0021186 k( 330) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0021186 k( 331) = ( 0.5817308 -0.0471873 0.4789066), wk = 0.0021186 k( 332) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0021186 k( 333) = ( 0.5721154 -0.0416358 0.4946085), wk = 0.0021186 k( 334) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0021186 k( 335) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0021186 k( 336) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0021186 k( 337) = ( 0.5528846 -0.0305329 0.5260122), wk = 0.0021186 k( 338) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0021186 k( 339) = ( 0.5432692 -0.0249815 0.5417141), wk = 0.0021186 k( 340) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0021186 k( 341) = ( 0.5336538 -0.0194301 0.5574159), wk = 0.0021186 k( 342) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0021186 k( 343) = ( 0.5240385 -0.0138786 0.5731178), wk = 0.0021186 k( 344) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0021186 k( 345) = ( 0.5144231 -0.0083272 0.5888196), wk = 0.0021186 k( 346) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0021186 k( 347) = ( 0.5048077 -0.0027757 0.6045215), wk = 0.0021186 k( 348) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021186 k( 349) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021186 k( 350) = ( 0.5000000 0.0056603 0.6043676), wk = 0.0021186 k( 351) = ( 0.5000000 0.0113206 0.5963627), wk = 0.0021186 k( 352) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0021186 k( 353) = ( 0.5000000 0.0226412 0.5803530), wk = 0.0021186 k( 354) = ( 0.5000000 0.0283015 0.5723481), wk = 0.0021186 k( 355) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0021186 k( 356) = ( 0.5000000 0.0396221 0.5563383), wk = 0.0021186 k( 357) = ( 0.5000000 0.0452824 0.5483335), wk = 0.0021186 k( 358) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0021186 k( 359) = ( 0.5000000 0.0566030 0.5323237), wk = 0.0021186 k( 360) = ( 0.5000000 0.0622633 0.5243189), wk = 0.0021186 k( 361) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0021186 k( 362) = ( 0.5000000 0.0735839 0.5083091), wk = 0.0021186 k( 363) = ( 0.5000000 0.0792442 0.5003043), wk = 0.0021186 k( 364) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0021186 k( 365) = ( 0.5000000 0.0905647 0.4842945), wk = 0.0021186 k( 366) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0021186 k( 367) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0021186 k( 368) = ( 0.5000000 0.1075456 0.4602799), wk = 0.0021186 k( 369) = ( 0.5000000 0.1132059 0.4522751), wk = 0.0021186 k( 370) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0021186 k( 371) = ( 0.5000000 0.1245265 0.4362653), wk = 0.0021186 k( 372) = ( 0.5000000 0.1301868 0.4282605), wk = 0.0021186 k( 373) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0021186 k( 374) = ( 0.5000000 0.1415074 0.4122507), wk = 0.0021186 k( 375) = ( 0.5000000 0.1471677 0.4042459), wk = 0.0021186 k( 376) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0021186 k( 377) = ( 0.5000000 0.1584883 0.3882361), wk = 0.0021186 k( 378) = ( 0.5000000 0.1641486 0.3802313), wk = 0.0021186 k( 379) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0021186 k( 380) = ( 0.5000000 0.1754692 0.3642215), wk = 0.0021186 k( 381) = ( 0.5000000 0.1811295 0.3562166), wk = 0.0021186 k( 382) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0021186 k( 383) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0021186 k( 384) = ( 0.5000000 0.1981104 0.3322020), wk = 0.0021186 k( 385) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0021186 k( 386) = ( 0.5000000 0.2094310 0.3161923), wk = 0.0021186 k( 387) = ( 0.5000000 0.2150913 0.3081874), wk = 0.0021186 k( 388) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0021186 k( 389) = ( 0.5000000 0.2264119 0.2921777), wk = 0.0021186 k( 390) = ( 0.5000000 0.2320722 0.2841728), wk = 0.0021186 k( 391) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0021186 k( 392) = ( 0.5000000 0.2433928 0.2681631), wk = 0.0021186 k( 393) = ( 0.5000000 0.2490531 0.2601582), wk = 0.0021186 k( 394) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0021186 k( 395) = ( 0.5000000 0.2603737 0.2441485), wk = 0.0021186 k( 396) = ( 0.5000000 0.2660340 0.2361436), wk = 0.0021186 k( 397) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0021186 k( 398) = ( 0.5000000 0.2773545 0.2201339), wk = 0.0021186 k( 399) = ( 0.5000000 0.2830148 0.2121290), wk = 0.0021186 k( 400) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021186 k( 401) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021186 k( 402) = ( 0.4971591 0.2870349 0.2134025), wk = 0.0021186 k( 403) = ( 0.4943182 0.2853947 0.2226809), wk = 0.0021186 k( 404) = ( 0.4914773 0.2837545 0.2319593), wk = 0.0021186 k( 405) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0021186 k( 406) = ( 0.4857955 0.2804741 0.2505160), wk = 0.0021186 k( 407) = ( 0.4829545 0.2788339 0.2597944), wk = 0.0021186 k( 408) = ( 0.4801136 0.2771937 0.2690727), wk = 0.0021186 k( 409) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0021186 k( 410) = ( 0.4744318 0.2739133 0.2876295), wk = 0.0021186 k( 411) = ( 0.4715909 0.2722731 0.2969078), wk = 0.0021186 k( 412) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0021186 k( 413) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0021186 k( 414) = ( 0.4630682 0.2673525 0.3247430), wk = 0.0021186 k( 415) = ( 0.4602273 0.2657123 0.3340213), wk = 0.0021186 k( 416) = ( 0.4573864 0.2640721 0.3432997), wk = 0.0021186 k( 417) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0021186 k( 418) = ( 0.4517045 0.2607917 0.3618564), wk = 0.0021186 k( 419) = ( 0.4488636 0.2591515 0.3711348), wk = 0.0021186 k( 420) = ( 0.4460227 0.2575113 0.3804132), wk = 0.0021186 k( 421) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0021186 k( 422) = ( 0.4403409 0.2542309 0.3989699), wk = 0.0021186 k( 423) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0021186 k( 424) = ( 0.4346591 0.2509505 0.4175267), wk = 0.0021186 k( 425) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0021186 k( 426) = ( 0.4289773 0.2476701 0.4360834), wk = 0.0021186 k( 427) = ( 0.4261364 0.2460299 0.4453618), wk = 0.0021186 k( 428) = ( 0.4232955 0.2443897 0.4546401), wk = 0.0021186 k( 429) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0021186 k( 430) = ( 0.4176136 0.2411093 0.4731969), wk = 0.0021186 k( 431) = ( 0.4147727 0.2394691 0.4824753), wk = 0.0021186 k( 432) = ( 0.4119318 0.2378289 0.4917536), wk = 0.0021186 k( 433) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0021186 k( 434) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0021186 k( 435) = ( 0.4034091 0.2329083 0.5195887), wk = 0.0021186 k( 436) = ( 0.4005682 0.2312681 0.5288671), wk = 0.0021186 k( 437) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0021186 k( 438) = ( 0.3948864 0.2279877 0.5474238), wk = 0.0021186 k( 439) = ( 0.3920455 0.2263475 0.5567022), wk = 0.0021186 k( 440) = ( 0.3892045 0.2247074 0.5659806), wk = 0.0021186 k( 441) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0021186 k( 442) = ( 0.3835227 0.2214270 0.5845373), wk = 0.0021186 k( 443) = ( 0.3806818 0.2197868 0.5938157), wk = 0.0021186 k( 444) = ( 0.3778409 0.2181466 0.6030941), wk = 0.0021186 k( 445) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021186 k( 446) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021186 k( 447) = ( 0.6201923 -0.0804959 0.4082483), wk = 0.0021186 k( 448) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0021186 k( 449) = ( 0.6105769 -0.0971503 0.4082483), wk = 0.0021186 k( 450) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0021186 k( 451) = ( 0.6009615 -0.1138046 0.4082483), wk = 0.0021186 k( 452) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0021186 k( 453) = ( 0.5913462 -0.1304590 0.4082483), wk = 0.0021186 k( 454) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0021186 k( 455) = ( 0.5817308 -0.1471133 0.4082483), wk = 0.0021186 k( 456) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0021186 k( 457) = ( 0.5721154 -0.1637676 0.4082483), wk = 0.0021186 k( 458) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0021186 k( 459) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0021186 k( 460) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0021186 k( 461) = ( 0.5528846 -0.1970763 0.4082483), wk = 0.0021186 k( 462) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0021186 k( 463) = ( 0.5432692 -0.2137306 0.4082483), wk = 0.0021186 k( 464) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0021186 k( 465) = ( 0.5336538 -0.2303850 0.4082483), wk = 0.0021186 k( 466) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0021186 k( 467) = ( 0.5240385 -0.2470393 0.4082483), wk = 0.0021186 k( 468) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0021186 k( 469) = ( 0.5144231 -0.2636936 0.4082483), wk = 0.0021186 k( 470) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0021186 k( 471) = ( 0.5048077 -0.2803480 0.4082483), wk = 0.0021186 k( 472) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021186 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 2) = ( 0.0070422 0.0000000 0.0070423), wk = 0.0021186 k( 3) = ( 0.0140845 0.0000000 0.0140845), wk = 0.0021186 k( 4) = ( 0.0211268 -0.0000000 0.0211268), wk = 0.0021186 k( 5) = ( 0.0281690 -0.0000000 0.0281690), wk = 0.0021186 k( 6) = ( 0.0352113 0.0000000 0.0352113), wk = 0.0021186 k( 7) = ( 0.0422535 -0.0000000 0.0422535), wk = 0.0021186 k( 8) = ( 0.0492958 0.0000000 0.0492958), wk = 0.0021186 k( 9) = ( 0.0563380 -0.0000000 0.0563380), wk = 0.0021186 k( 10) = ( 0.0633803 0.0000000 0.0633803), wk = 0.0021186 k( 11) = ( 0.0704225 0.0000000 0.0704225), wk = 0.0021186 k( 12) = ( 0.0774648 -0.0000000 0.0774648), wk = 0.0021186 k( 13) = ( 0.0845070 -0.0000000 0.0845070), wk = 0.0021186 k( 14) = ( 0.0915493 0.0000000 0.0915493), wk = 0.0021186 k( 15) = ( 0.0985916 0.0000000 0.0985916), wk = 0.0021186 k( 16) = ( 0.1056338 0.0000000 0.1056338), wk = 0.0021186 k( 17) = ( 0.1126761 -0.0000000 0.1126761), wk = 0.0021186 k( 18) = ( 0.1197183 -0.0000000 0.1197183), wk = 0.0021186 k( 19) = ( 0.1267606 0.0000000 0.1267606), wk = 0.0021186 k( 20) = ( 0.1338028 0.0000000 0.1338028), wk = 0.0021186 k( 21) = ( 0.1408451 0.0000000 0.1408451), wk = 0.0021186 k( 22) = ( 0.1478873 -0.0000000 0.1478873), wk = 0.0021186 k( 23) = ( 0.1549296 -0.0000000 0.1549296), wk = 0.0021186 k( 24) = ( 0.1619718 -0.0000000 0.1619718), wk = 0.0021186 k( 25) = ( 0.1690141 -0.0000000 0.1690141), wk = 0.0021186 k( 26) = ( 0.1760563 0.0000000 0.1760563), wk = 0.0021186 k( 27) = ( 0.1830986 0.0000000 0.1830986), wk = 0.0021186 k( 28) = ( 0.1901409 0.0000000 0.1901409), wk = 0.0021186 k( 29) = ( 0.1971831 0.0000000 0.1971831), wk = 0.0021186 k( 30) = ( 0.2042253 0.0000000 0.2042254), wk = 0.0021186 k( 31) = ( 0.2112676 0.0000000 0.2112676), wk = 0.0021186 k( 32) = ( 0.2183099 0.0000000 0.2183099), wk = 0.0021186 k( 33) = ( 0.2253521 0.0000000 0.2253521), wk = 0.0021186 k( 34) = ( 0.2323944 -0.0000000 0.2323944), wk = 0.0021186 k( 35) = ( 0.2394366 -0.0000000 0.2394366), wk = 0.0021186 k( 36) = ( 0.2464789 -0.0000000 0.2464789), wk = 0.0021186 k( 37) = ( 0.2535211 0.0000000 0.2535211), wk = 0.0021186 k( 38) = ( 0.2605634 0.0000000 0.2605634), wk = 0.0021186 k( 39) = ( 0.2676056 -0.0000000 0.2676056), wk = 0.0021186 k( 40) = ( 0.2746479 0.0000000 0.2746479), wk = 0.0021186 k( 41) = ( 0.2816901 0.0000000 0.2816901), wk = 0.0021186 k( 42) = ( 0.2887324 0.0000000 0.2887324), wk = 0.0021186 k( 43) = ( 0.2957746 0.0000000 0.2957747), wk = 0.0021186 k( 44) = ( 0.3028169 -0.0000000 0.3028169), wk = 0.0021186 k( 45) = ( 0.3098592 0.0000000 0.3098592), wk = 0.0021186 k( 46) = ( 0.3169014 0.0000000 0.3169014), wk = 0.0021186 k( 47) = ( 0.3239437 -0.0000000 0.3239437), wk = 0.0021186 k( 48) = ( 0.3309859 -0.0000000 0.3309859), wk = 0.0021186 k( 49) = ( 0.3380282 -0.0000000 0.3380282), wk = 0.0021186 k( 50) = ( 0.3450704 -0.0000000 0.3450704), wk = 0.0021186 k( 51) = ( 0.3521127 0.0000000 0.3521127), wk = 0.0021186 k( 52) = ( 0.3591549 -0.0000000 0.3591549), wk = 0.0021186 k( 53) = ( 0.3661972 0.0000000 0.3661972), wk = 0.0021186 k( 54) = ( 0.3732394 0.0000000 0.3732394), wk = 0.0021186 k( 55) = ( 0.3802817 0.0000000 0.3802817), wk = 0.0021186 k( 56) = ( 0.3873239 0.0000000 0.3873239), wk = 0.0021186 k( 57) = ( 0.3943662 0.0000000 0.3943662), wk = 0.0021186 k( 58) = ( 0.4014085 0.0000000 0.4014085), wk = 0.0021186 k( 59) = ( 0.4084507 0.0000000 0.4084507), wk = 0.0021186 k( 60) = ( 0.4154930 0.0000000 0.4154930), wk = 0.0021186 k( 61) = ( 0.4225352 0.0000000 0.4225352), wk = 0.0021186 k( 62) = ( 0.4295775 0.0000000 0.4295775), wk = 0.0021186 k( 63) = ( 0.4366197 0.0000000 0.4366197), wk = 0.0021186 k( 64) = ( 0.4436620 0.0000000 0.4436620), wk = 0.0021186 k( 65) = ( 0.4507042 0.0000000 0.4507042), wk = 0.0021186 k( 66) = ( 0.4577465 0.0000000 0.4577465), wk = 0.0021186 k( 67) = ( 0.4647887 -0.0000000 0.4647887), wk = 0.0021186 k( 68) = ( 0.4718310 -0.0000000 0.4718310), wk = 0.0021186 k( 69) = ( 0.4788732 -0.0000000 0.4788732), wk = 0.0021186 k( 70) = ( 0.4859155 -0.0000000 0.4859155), wk = 0.0021186 k( 71) = ( 0.4929577 0.0000000 0.4929578), wk = 0.0021186 k( 72) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021186 k( 73) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021186 k( 74) = ( 0.5000000 0.0069444 0.5069444), wk = 0.0021186 k( 75) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0021186 k( 76) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0021186 k( 77) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0021186 k( 78) = ( 0.5000000 0.0347222 0.5347222), wk = 0.0021186 k( 79) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0021186 k( 80) = ( 0.5000000 0.0486111 0.5486111), wk = 0.0021186 k( 81) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0021186 k( 82) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0021186 k( 83) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0021186 k( 84) = ( 0.5000000 0.0763889 0.5763889), wk = 0.0021186 k( 85) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0021186 k( 86) = ( 0.5000000 0.0902778 0.5902778), wk = 0.0021186 k( 87) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0021186 k( 88) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0021186 k( 89) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0021186 k( 90) = ( 0.5000000 0.1180556 0.6180556), wk = 0.0021186 k( 91) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0021186 k( 92) = ( 0.5000000 0.1319444 0.6319444), wk = 0.0021186 k( 93) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0021186 k( 94) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0021186 k( 95) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0021186 k( 96) = ( 0.5000000 0.1597222 0.6597222), wk = 0.0021186 k( 97) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0021186 k( 98) = ( 0.5000000 0.1736111 0.6736111), wk = 0.0021186 k( 99) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0021186 k( 100) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0021186 k( 101) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0021186 k( 102) = ( 0.5000000 0.2013889 0.7013889), wk = 0.0021186 k( 103) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0021186 k( 104) = ( 0.5000000 0.2152778 0.7152778), wk = 0.0021186 k( 105) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0021186 k( 106) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0021186 k( 107) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0021186 k( 108) = ( 0.5000000 0.2430556 0.7430556), wk = 0.0021186 k( 109) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021186 k( 110) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021186 k( 111) = ( 0.4951923 0.2548077 0.7500000), wk = 0.0021186 k( 112) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0021186 k( 113) = ( 0.4855769 0.2644231 0.7500000), wk = 0.0021186 k( 114) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0021186 k( 115) = ( 0.4759615 0.2740385 0.7500000), wk = 0.0021186 k( 116) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0021186 k( 117) = ( 0.4663462 0.2836538 0.7500000), wk = 0.0021186 k( 118) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0021186 k( 119) = ( 0.4567308 0.2932692 0.7500000), wk = 0.0021186 k( 120) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0021186 k( 121) = ( 0.4471154 0.3028846 0.7500000), wk = 0.0021186 k( 122) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0021186 k( 123) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0021186 k( 124) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0021186 k( 125) = ( 0.4278846 0.3221154 0.7500000), wk = 0.0021186 k( 126) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0021186 k( 127) = ( 0.4182692 0.3317308 0.7500000), wk = 0.0021186 k( 128) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0021186 k( 129) = ( 0.4086538 0.3413462 0.7500000), wk = 0.0021186 k( 130) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0021186 k( 131) = ( 0.3990385 0.3509615 0.7500000), wk = 0.0021186 k( 132) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0021186 k( 133) = ( 0.3894231 0.3605769 0.7500000), wk = 0.0021186 k( 134) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0021186 k( 135) = ( 0.3798077 0.3701923 0.7500000), wk = 0.0021186 k( 136) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021186 k( 137) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021186 k( 138) = ( 0.3700658 0.3700658 0.7401316), wk = 0.0021186 k( 139) = ( 0.3651316 0.3651316 0.7302632), wk = 0.0021186 k( 140) = ( 0.3601974 0.3601974 0.7203947), wk = 0.0021186 k( 141) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0021186 k( 142) = ( 0.3503289 0.3503289 0.7006579), wk = 0.0021186 k( 143) = ( 0.3453947 0.3453947 0.6907895), wk = 0.0021186 k( 144) = ( 0.3404605 0.3404605 0.6809211), wk = 0.0021186 k( 145) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0021186 k( 146) = ( 0.3305921 0.3305921 0.6611842), wk = 0.0021186 k( 147) = ( 0.3256579 0.3256579 0.6513158), wk = 0.0021186 k( 148) = ( 0.3207237 0.3207237 0.6414474), wk = 0.0021186 k( 149) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0021186 k( 150) = ( 0.3108553 0.3108553 0.6217105), wk = 0.0021186 k( 151) = ( 0.3059211 0.3059211 0.6118421), wk = 0.0021186 k( 152) = ( 0.3009868 0.3009868 0.6019737), wk = 0.0021186 k( 153) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0021186 k( 154) = ( 0.2911184 0.2911184 0.5822368), wk = 0.0021186 k( 155) = ( 0.2861842 0.2861842 0.5723684), wk = 0.0021186 k( 156) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0021186 k( 157) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0021186 k( 158) = ( 0.2713816 0.2713816 0.5427632), wk = 0.0021186 k( 159) = ( 0.2664474 0.2664474 0.5328947), wk = 0.0021186 k( 160) = ( 0.2615132 0.2615132 0.5230263), wk = 0.0021186 k( 161) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0021186 k( 162) = ( 0.2516447 0.2516447 0.5032895), wk = 0.0021186 k( 163) = ( 0.2467105 0.2467105 0.4934211), wk = 0.0021186 k( 164) = ( 0.2417763 0.2417763 0.4835526), wk = 0.0021186 k( 165) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0021186 k( 166) = ( 0.2319079 0.2319079 0.4638158), wk = 0.0021186 k( 167) = ( 0.2269737 0.2269737 0.4539474), wk = 0.0021186 k( 168) = ( 0.2220395 0.2220395 0.4440789), wk = 0.0021186 k( 169) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0021186 k( 170) = ( 0.2121710 0.2121711 0.4243421), wk = 0.0021186 k( 171) = ( 0.2072368 0.2072368 0.4144737), wk = 0.0021186 k( 172) = ( 0.2023026 0.2023026 0.4046053), wk = 0.0021186 k( 173) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0021186 k( 174) = ( 0.1924342 0.1924342 0.3848684), wk = 0.0021186 k( 175) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0021186 k( 176) = ( 0.1825658 0.1825658 0.3651316), wk = 0.0021186 k( 177) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0021186 k( 178) = ( 0.1726974 0.1726974 0.3453947), wk = 0.0021186 k( 179) = ( 0.1677632 0.1677632 0.3355263), wk = 0.0021186 k( 180) = ( 0.1628290 0.1628290 0.3256579), wk = 0.0021186 k( 181) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0021186 k( 182) = ( 0.1529605 0.1529605 0.3059211), wk = 0.0021186 k( 183) = ( 0.1480263 0.1480263 0.2960526), wk = 0.0021186 k( 184) = ( 0.1430921 0.1430921 0.2861842), wk = 0.0021186 k( 185) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0021186 k( 186) = ( 0.1332237 0.1332237 0.2664474), wk = 0.0021186 k( 187) = ( 0.1282895 0.1282895 0.2565789), wk = 0.0021186 k( 188) = ( 0.1233553 0.1233553 0.2467105), wk = 0.0021186 k( 189) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0021186 k( 190) = ( 0.1134868 0.1134868 0.2269737), wk = 0.0021186 k( 191) = ( 0.1085526 0.1085526 0.2171053), wk = 0.0021186 k( 192) = ( 0.1036184 0.1036184 0.2072368), wk = 0.0021186 k( 193) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0021186 k( 194) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0021186 k( 195) = ( 0.0888158 0.0888158 0.1776316), wk = 0.0021186 k( 196) = ( 0.0838816 0.0838816 0.1677632), wk = 0.0021186 k( 197) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0021186 k( 198) = ( 0.0740132 0.0740132 0.1480263), wk = 0.0021186 k( 199) = ( 0.0690790 0.0690790 0.1381579), wk = 0.0021186 k( 200) = ( 0.0641447 0.0641447 0.1282895), wk = 0.0021186 k( 201) = ( 0.0592105 0.0592105 0.1184211), wk = 0.0021186 k( 202) = ( 0.0542763 0.0542763 0.1085526), wk = 0.0021186 k( 203) = ( 0.0493421 0.0493421 0.0986842), wk = 0.0021186 k( 204) = ( 0.0444079 0.0444079 0.0888158), wk = 0.0021186 k( 205) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0021186 k( 206) = ( 0.0345395 0.0345395 0.0690790), wk = 0.0021186 k( 207) = ( 0.0296053 0.0296053 0.0592105), wk = 0.0021186 k( 208) = ( 0.0246710 0.0246710 0.0493421), wk = 0.0021186 k( 209) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0021186 k( 210) = ( 0.0148026 0.0148026 0.0296053), wk = 0.0021186 k( 211) = ( 0.0098684 0.0098684 0.0197368), wk = 0.0021186 k( 212) = ( 0.0049342 0.0049342 0.0098684), wk = 0.0021186 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 215) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0021186 k( 216) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0021186 k( 217) = ( 0.0241936 0.0241936 0.0241936), wk = 0.0021186 k( 218) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0021186 k( 219) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0021186 k( 220) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0021186 k( 221) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0021186 k( 222) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0021186 k( 223) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0021186 k( 224) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0021186 k( 225) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0021186 k( 226) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0021186 k( 227) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0021186 k( 228) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0021186 k( 229) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0021186 k( 230) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0021186 k( 231) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0021186 k( 232) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0021186 k( 233) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0021186 k( 234) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0021186 k( 235) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0021186 k( 236) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0021186 k( 237) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0021186 k( 238) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0021186 k( 239) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0021186 k( 240) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0021186 k( 241) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0021186 k( 242) = ( 0.2258064 0.2258064 0.2258065), wk = 0.0021186 k( 243) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0021186 k( 244) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0021186 k( 245) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021186 k( 246) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0021186 k( 247) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0021186 k( 248) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0021186 k( 249) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0021186 k( 250) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0021186 k( 251) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0021186 k( 252) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0021186 k( 253) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0021186 k( 254) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0021186 k( 255) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0021186 k( 256) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0021186 k( 257) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0021186 k( 258) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0021186 k( 259) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0021186 k( 260) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0021186 k( 261) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0021186 k( 262) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0021186 k( 263) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0021186 k( 264) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0021186 k( 265) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0021186 k( 266) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0021186 k( 267) = ( 0.4274193 0.4274193 0.4274193), wk = 0.0021186 k( 268) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0021186 k( 269) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0021186 k( 270) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0021186 k( 271) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0021186 k( 272) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0021186 k( 273) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0021186 k( 274) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0021186 k( 275) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0021186 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 278) = ( 0.5028409 0.4943182 0.5028409), wk = 0.0021186 k( 279) = ( 0.5056818 0.4886364 0.5056818), wk = 0.0021186 k( 280) = ( 0.5085227 0.4829545 0.5085227), wk = 0.0021186 k( 281) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0021186 k( 282) = ( 0.5142045 0.4715909 0.5142045), wk = 0.0021186 k( 283) = ( 0.5170455 0.4659091 0.5170455), wk = 0.0021186 k( 284) = ( 0.5198864 0.4602273 0.5198864), wk = 0.0021186 k( 285) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0021186 k( 286) = ( 0.5255682 0.4488636 0.5255682), wk = 0.0021186 k( 287) = ( 0.5284091 0.4431818 0.5284091), wk = 0.0021186 k( 288) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0021186 k( 289) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0021186 k( 290) = ( 0.5369318 0.4261364 0.5369318), wk = 0.0021186 k( 291) = ( 0.5397727 0.4204545 0.5397727), wk = 0.0021186 k( 292) = ( 0.5426136 0.4147727 0.5426136), wk = 0.0021186 k( 293) = ( 0.5454545 0.4090909 0.5454546), wk = 0.0021186 k( 294) = ( 0.5482955 0.4034091 0.5482955), wk = 0.0021186 k( 295) = ( 0.5511364 0.3977273 0.5511364), wk = 0.0021186 k( 296) = ( 0.5539773 0.3920455 0.5539773), wk = 0.0021186 k( 297) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0021186 k( 298) = ( 0.5596591 0.3806818 0.5596591), wk = 0.0021186 k( 299) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0021186 k( 300) = ( 0.5653409 0.3693182 0.5653409), wk = 0.0021186 k( 301) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0021186 k( 302) = ( 0.5710227 0.3579545 0.5710227), wk = 0.0021186 k( 303) = ( 0.5738636 0.3522727 0.5738636), wk = 0.0021186 k( 304) = ( 0.5767045 0.3465909 0.5767046), wk = 0.0021186 k( 305) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0021186 k( 306) = ( 0.5823864 0.3352273 0.5823864), wk = 0.0021186 k( 307) = ( 0.5852273 0.3295455 0.5852273), wk = 0.0021186 k( 308) = ( 0.5880682 0.3238636 0.5880682), wk = 0.0021186 k( 309) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0021186 k( 310) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0021186 k( 311) = ( 0.5965909 0.3068182 0.5965909), wk = 0.0021186 k( 312) = ( 0.5994318 0.3011364 0.5994318), wk = 0.0021186 k( 313) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0021186 k( 314) = ( 0.6051136 0.2897727 0.6051136), wk = 0.0021186 k( 315) = ( 0.6079545 0.2840909 0.6079546), wk = 0.0021186 k( 316) = ( 0.6107955 0.2784091 0.6107955), wk = 0.0021186 k( 317) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0021186 k( 318) = ( 0.6164773 0.2670455 0.6164773), wk = 0.0021186 k( 319) = ( 0.6193182 0.2613636 0.6193182), wk = 0.0021186 k( 320) = ( 0.6221591 0.2556818 0.6221591), wk = 0.0021186 k( 321) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021186 k( 322) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021186 k( 323) = ( 0.6201923 0.2500000 0.6298077), wk = 0.0021186 k( 324) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0021186 k( 325) = ( 0.6105769 0.2500000 0.6394231), wk = 0.0021186 k( 326) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0021186 k( 327) = ( 0.6009615 0.2500000 0.6490385), wk = 0.0021186 k( 328) = ( 0.5961538 0.2500000 0.6538462), wk = 0.0021186 k( 329) = ( 0.5913462 0.2500000 0.6586539), wk = 0.0021186 k( 330) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0021186 k( 331) = ( 0.5817308 0.2500000 0.6682692), wk = 0.0021186 k( 332) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0021186 k( 333) = ( 0.5721154 0.2500000 0.6778846), wk = 0.0021186 k( 334) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0021186 k( 335) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0021186 k( 336) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0021186 k( 337) = ( 0.5528846 0.2500000 0.6971154), wk = 0.0021186 k( 338) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0021186 k( 339) = ( 0.5432692 0.2500000 0.7067308), wk = 0.0021186 k( 340) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0021186 k( 341) = ( 0.5336538 0.2500000 0.7163461), wk = 0.0021186 k( 342) = ( 0.5288462 0.2500000 0.7211539), wk = 0.0021186 k( 343) = ( 0.5240385 0.2500000 0.7259615), wk = 0.0021186 k( 344) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0021186 k( 345) = ( 0.5144231 0.2500000 0.7355769), wk = 0.0021186 k( 346) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0021186 k( 347) = ( 0.5048077 0.2500000 0.7451923), wk = 0.0021186 k( 348) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021186 k( 349) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021186 k( 350) = ( 0.5000000 0.2549020 0.7450980), wk = 0.0021186 k( 351) = ( 0.5000000 0.2598039 0.7401961), wk = 0.0021186 k( 352) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0021186 k( 353) = ( 0.5000000 0.2696078 0.7303922), wk = 0.0021186 k( 354) = ( 0.5000000 0.2745098 0.7254902), wk = 0.0021186 k( 355) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0021186 k( 356) = ( 0.5000000 0.2843137 0.7156863), wk = 0.0021186 k( 357) = ( 0.5000000 0.2892157 0.7107843), wk = 0.0021186 k( 358) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0021186 k( 359) = ( 0.5000000 0.2990196 0.7009804), wk = 0.0021186 k( 360) = ( 0.5000000 0.3039216 0.6960784), wk = 0.0021186 k( 361) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0021186 k( 362) = ( 0.5000000 0.3137255 0.6862745), wk = 0.0021186 k( 363) = ( 0.5000000 0.3186275 0.6813726), wk = 0.0021186 k( 364) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0021186 k( 365) = ( 0.5000000 0.3284314 0.6715686), wk = 0.0021186 k( 366) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0021186 k( 367) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0021186 k( 368) = ( 0.5000000 0.3431373 0.6568628), wk = 0.0021186 k( 369) = ( 0.5000000 0.3480392 0.6519608), wk = 0.0021186 k( 370) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0021186 k( 371) = ( 0.5000000 0.3578431 0.6421569), wk = 0.0021186 k( 372) = ( 0.5000000 0.3627451 0.6372549), wk = 0.0021186 k( 373) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0021186 k( 374) = ( 0.5000000 0.3725490 0.6274510), wk = 0.0021186 k( 375) = ( 0.5000000 0.3774510 0.6225490), wk = 0.0021186 k( 376) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0021186 k( 377) = ( 0.5000000 0.3872549 0.6127451), wk = 0.0021186 k( 378) = ( 0.5000000 0.3921569 0.6078431), wk = 0.0021186 k( 379) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0021186 k( 380) = ( 0.5000000 0.4019608 0.5980392), wk = 0.0021186 k( 381) = ( 0.5000000 0.4068627 0.5931373), wk = 0.0021186 k( 382) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0021186 k( 383) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0021186 k( 384) = ( 0.5000000 0.4215686 0.5784314), wk = 0.0021186 k( 385) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0021186 k( 386) = ( 0.5000000 0.4313726 0.5686275), wk = 0.0021186 k( 387) = ( 0.5000000 0.4362745 0.5637255), wk = 0.0021186 k( 388) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0021186 k( 389) = ( 0.5000000 0.4460784 0.5539216), wk = 0.0021186 k( 390) = ( 0.5000000 0.4509804 0.5490196), wk = 0.0021186 k( 391) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0021186 k( 392) = ( 0.5000000 0.4607843 0.5392157), wk = 0.0021186 k( 393) = ( 0.5000000 0.4656863 0.5343137), wk = 0.0021186 k( 394) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0021186 k( 395) = ( 0.5000000 0.4754902 0.5245098), wk = 0.0021186 k( 396) = ( 0.5000000 0.4803922 0.5196078), wk = 0.0021186 k( 397) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0021186 k( 398) = ( 0.5000000 0.4901961 0.5098039), wk = 0.0021186 k( 399) = ( 0.5000000 0.4950980 0.5049020), wk = 0.0021186 k( 400) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 401) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 402) = ( 0.4971591 0.4971591 0.5056818), wk = 0.0021186 k( 403) = ( 0.4943182 0.4943182 0.5113636), wk = 0.0021186 k( 404) = ( 0.4914773 0.4914773 0.5170455), wk = 0.0021186 k( 405) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0021186 k( 406) = ( 0.4857955 0.4857955 0.5284091), wk = 0.0021186 k( 407) = ( 0.4829545 0.4829545 0.5340909), wk = 0.0021186 k( 408) = ( 0.4801136 0.4801136 0.5397727), wk = 0.0021186 k( 409) = ( 0.4772727 0.4772727 0.5454546), wk = 0.0021186 k( 410) = ( 0.4744318 0.4744318 0.5511364), wk = 0.0021186 k( 411) = ( 0.4715909 0.4715909 0.5568182), wk = 0.0021186 k( 412) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0021186 k( 413) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0021186 k( 414) = ( 0.4630682 0.4630682 0.5738636), wk = 0.0021186 k( 415) = ( 0.4602273 0.4602273 0.5795455), wk = 0.0021186 k( 416) = ( 0.4573864 0.4573864 0.5852273), wk = 0.0021186 k( 417) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0021186 k( 418) = ( 0.4517045 0.4517045 0.5965909), wk = 0.0021186 k( 419) = ( 0.4488636 0.4488636 0.6022727), wk = 0.0021186 k( 420) = ( 0.4460227 0.4460227 0.6079546), wk = 0.0021186 k( 421) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0021186 k( 422) = ( 0.4403409 0.4403409 0.6193182), wk = 0.0021186 k( 423) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0021186 k( 424) = ( 0.4346591 0.4346591 0.6306818), wk = 0.0021186 k( 425) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0021186 k( 426) = ( 0.4289773 0.4289773 0.6420455), wk = 0.0021186 k( 427) = ( 0.4261364 0.4261364 0.6477273), wk = 0.0021186 k( 428) = ( 0.4232955 0.4232955 0.6534091), wk = 0.0021186 k( 429) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0021186 k( 430) = ( 0.4176136 0.4176136 0.6647727), wk = 0.0021186 k( 431) = ( 0.4147727 0.4147727 0.6704546), wk = 0.0021186 k( 432) = ( 0.4119318 0.4119318 0.6761364), wk = 0.0021186 k( 433) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0021186 k( 434) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0021186 k( 435) = ( 0.4034091 0.4034091 0.6931818), wk = 0.0021186 k( 436) = ( 0.4005682 0.4005682 0.6988636), wk = 0.0021186 k( 437) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0021186 k( 438) = ( 0.3948864 0.3948864 0.7102273), wk = 0.0021186 k( 439) = ( 0.3920455 0.3920455 0.7159091), wk = 0.0021186 k( 440) = ( 0.3892045 0.3892045 0.7215909), wk = 0.0021186 k( 441) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0021186 k( 442) = ( 0.3835227 0.3835227 0.7329546), wk = 0.0021186 k( 443) = ( 0.3806818 0.3806818 0.7386364), wk = 0.0021186 k( 444) = ( 0.3778409 0.3778409 0.7443182), wk = 0.0021186 k( 445) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021186 k( 446) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021186 k( 447) = ( 0.6201923 0.2403846 0.6201923), wk = 0.0021186 k( 448) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0021186 k( 449) = ( 0.6105769 0.2211538 0.6105769), wk = 0.0021186 k( 450) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0021186 k( 451) = ( 0.6009615 0.2019231 0.6009615), wk = 0.0021186 k( 452) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0021186 k( 453) = ( 0.5913462 0.1826923 0.5913462), wk = 0.0021186 k( 454) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0021186 k( 455) = ( 0.5817308 0.1634615 0.5817308), wk = 0.0021186 k( 456) = ( 0.5769231 0.1538461 0.5769231), wk = 0.0021186 k( 457) = ( 0.5721154 0.1442308 0.5721154), wk = 0.0021186 k( 458) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0021186 k( 459) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0021186 k( 460) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0021186 k( 461) = ( 0.5528846 0.1057692 0.5528846), wk = 0.0021186 k( 462) = ( 0.5480769 0.0961538 0.5480769), wk = 0.0021186 k( 463) = ( 0.5432692 0.0865385 0.5432692), wk = 0.0021186 k( 464) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0021186 k( 465) = ( 0.5336538 0.0673077 0.5336538), wk = 0.0021186 k( 466) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0021186 k( 467) = ( 0.5240385 0.0480769 0.5240385), wk = 0.0021186 k( 468) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0021186 k( 469) = ( 0.5144231 0.0288461 0.5144231), wk = 0.0021186 k( 470) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0021186 k( 471) = ( 0.5048077 0.0096154 0.5048077), wk = 0.0021186 k( 472) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021186 Dense grid: 14331 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 6231 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 34, 24) NL pseudopotentials 0.01 Mb ( 17, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 298) G-vector shells 0.00 Mb ( 132) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 34, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.04 Mb ( 48, 2, 24) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CuN.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.4 secs Computing kpt #: 2 total cpu time spent up to now is 41.3 secs Computing kpt #: 3 total cpu time spent up to now is 41.6 secs Computing kpt #: 4 total cpu time spent up to now is 41.9 secs Computing kpt #: 5 total cpu time spent up to now is 42.2 secs Computing kpt #: 6 total cpu time spent up to now is 42.5 secs Computing kpt #: 7 total cpu time spent up to now is 42.7 secs Computing kpt #: 8 total cpu time spent up to now is 43.0 secs Computing kpt #: 9 total cpu time spent up to now is 43.3 secs Computing kpt #: 10 total cpu time spent up to now is 43.4 secs Computing kpt #: 11 total cpu time spent up to now is 43.6 secs Computing kpt #: 12 total cpu time spent up to now is 43.8 secs Computing kpt #: 13 total cpu time spent up to now is 44.0 secs Computing kpt #: 14 total cpu time spent up to now is 44.2 secs Computing kpt #: 15 total cpu time spent up to now is 44.4 secs Computing kpt #: 16 total cpu time spent up to now is 44.6 secs Computing kpt #: 17 total cpu time spent up to now is 44.8 secs Computing kpt #: 18 total cpu time spent up to now is 44.9 secs Computing kpt #: 19 total cpu time spent up to now is 45.1 secs Computing kpt #: 20 total cpu time spent up to now is 45.3 secs Computing kpt #: 21 total cpu time spent up to now is 45.5 secs Computing kpt #: 22 total cpu time spent up to now is 45.7 secs Computing kpt #: 23 total cpu time spent up to now is 45.8 secs Computing kpt #: 24 total cpu time spent up to now is 46.0 secs Computing kpt #: 25 total cpu time spent up to now is 46.2 secs Computing kpt #: 26 total cpu time spent up to now is 46.4 secs Computing kpt #: 27 total cpu time spent up to now is 46.5 secs Computing kpt #: 28 total cpu time spent up to now is 46.7 secs Computing kpt #: 29 total cpu time spent up to now is 46.9 secs Computing kpt #: 30 total cpu time spent up to now is 47.1 secs Computing kpt #: 31 total cpu time spent up to now is 47.3 secs Computing kpt #: 32 total cpu time spent up to now is 47.4 secs Computing kpt #: 33 total cpu time spent up to now is 47.6 secs Computing kpt #: 34 total cpu time spent up to now is 47.8 secs Computing kpt #: 35 total cpu time spent up to now is 47.9 secs Computing kpt #: 36 total cpu time spent up to now is 48.3 secs Computing kpt #: 37 total cpu time spent up to now is 48.5 secs Computing kpt #: 38 total cpu time spent up to now is 48.8 secs Computing kpt #: 39 total cpu time spent up to now is 48.9 secs Computing kpt #: 40 total cpu time spent up to now is 49.4 secs Computing kpt #: 41 total cpu time spent up to now is 50.0 secs Computing kpt #: 42 total cpu time spent up to now is 50.3 secs Computing kpt #: 43 total cpu time spent up to now is 50.5 secs Computing kpt #: 44 total cpu time spent up to now is 50.6 secs Computing kpt #: 45 total cpu time spent up to now is 50.8 secs Computing kpt #: 46 total cpu time spent up to now is 51.0 secs Computing kpt #: 47 total cpu time spent up to now is 51.3 secs Computing kpt #: 48 total cpu time spent up to now is 51.5 secs Computing kpt #: 49 total cpu time spent up to now is 51.8 secs Computing kpt #: 50 total cpu time spent up to now is 52.2 secs Computing kpt #: 51 total cpu time spent up to now is 52.4 secs Computing kpt #: 52 total cpu time spent up to now is 52.6 secs Computing kpt #: 53 total cpu time spent up to now is 52.9 secs Computing kpt #: 54 total cpu time spent up to now is 53.0 secs Computing kpt #: 55 total cpu time spent up to now is 53.4 secs Computing kpt #: 56 total cpu time spent up to now is 53.6 secs Computing kpt #: 57 total cpu time spent up to now is 53.7 secs Computing kpt #: 58 total cpu time spent up to now is 53.9 secs Computing kpt #: 59 total cpu time spent up to now is 54.1 secs Computing kpt #: 60 total cpu time spent up to now is 54.5 secs Computing kpt #: 61 total cpu time spent up to now is 54.8 secs Computing kpt #: 62 total cpu time spent up to now is 55.1 secs Computing kpt #: 63 total cpu time spent up to now is 55.4 secs Computing kpt #: 64 total cpu time spent up to now is 55.7 secs Computing kpt #: 65 total cpu time spent up to now is 55.9 secs Computing kpt #: 66 total cpu time spent up to now is 56.4 secs Computing kpt #: 67 total cpu time spent up to now is 56.8 secs Computing kpt #: 68 total cpu time spent up to now is 57.0 secs Computing kpt #: 69 total cpu time spent up to now is 57.2 secs Computing kpt #: 70 total cpu time spent up to now is 57.8 secs Computing kpt #: 71 total cpu time spent up to now is 58.0 secs Computing kpt #: 72 total cpu time spent up to now is 58.3 secs Computing kpt #: 73 total cpu time spent up to now is 58.7 secs Computing kpt #: 74 total cpu time spent up to now is 58.9 secs Computing kpt #: 75 total cpu time spent up to now is 59.0 secs Computing kpt #: 76 total cpu time spent up to now is 59.2 secs Computing kpt #: 77 total cpu time spent up to now is 59.3 secs Computing kpt #: 78 total cpu time spent up to now is 59.5 secs Computing kpt #: 79 total cpu time spent up to now is 59.7 secs Computing kpt #: 80 total cpu time spent up to now is 59.8 secs Computing kpt #: 81 total cpu time spent up to now is 60.0 secs Computing kpt #: 82 total cpu time spent up to now is 60.1 secs Computing kpt #: 83 total cpu time spent up to now is 60.3 secs Computing kpt #: 84 total cpu time spent up to now is 60.5 secs Computing kpt #: 85 total cpu time spent up to now is 60.6 secs Computing kpt #: 86 total cpu time spent up to now is 60.8 secs Computing kpt #: 87 total cpu time spent up to now is 61.0 secs Computing kpt #: 88 total cpu time spent up to now is 61.3 secs Computing kpt #: 89 total cpu time spent up to now is 61.6 secs Computing kpt #: 90 total cpu time spent up to now is 62.0 secs Computing kpt #: 91 total cpu time spent up to now is 62.3 secs Computing kpt #: 92 total cpu time spent up to now is 62.7 secs Computing kpt #: 93 total cpu time spent up to now is 63.0 secs Computing kpt #: 94 total cpu time spent up to now is 63.2 secs Computing kpt #: 95 total cpu time spent up to now is 63.5 secs Computing kpt #: 96 total cpu time spent up to now is 63.7 secs Computing kpt #: 97 total cpu time spent up to now is 64.4 secs Computing kpt #: 98 total cpu time spent up to now is 64.8 secs Computing kpt #: 99 total cpu time spent up to now is 65.2 secs Computing kpt #: 100 total cpu time spent up to now is 65.4 secs Computing kpt #: 101 total cpu time spent up to now is 65.7 secs Computing kpt #: 102 total cpu time spent up to now is 65.9 secs Computing kpt #: 103 total cpu time spent up to now is 66.2 secs Computing kpt #: 104 total cpu time spent up to now is 66.5 secs Computing kpt #: 105 total cpu time spent up to now is 66.7 secs Computing kpt #: 106 total cpu time spent up to now is 67.4 secs Computing kpt #: 107 total cpu time spent up to now is 67.8 secs Computing kpt #: 108 total cpu time spent up to now is 68.1 secs Computing kpt #: 109 total cpu time spent up to now is 68.3 secs Computing kpt #: 110 total cpu time spent up to now is 68.5 secs Computing kpt #: 111 total cpu time spent up to now is 68.8 secs Computing kpt #: 112 total cpu time spent up to now is 69.2 secs Computing kpt #: 113 total cpu time spent up to now is 69.5 secs Computing kpt #: 114 total cpu time spent up to now is 70.0 secs Computing kpt #: 115 total cpu time spent up to now is 70.2 secs Computing kpt #: 116 total cpu time spent up to now is 70.4 secs Computing kpt #: 117 total cpu time spent up to now is 70.6 secs Computing kpt #: 118 total cpu time spent up to now is 70.7 secs Computing kpt #: 119 total cpu time spent up to now is 70.9 secs Computing kpt #: 120 total cpu time spent up to now is 71.1 secs Computing kpt #: 121 total cpu time spent up to now is 71.3 secs Computing kpt #: 122 total cpu time spent up to now is 71.4 secs Computing kpt #: 123 total cpu time spent up to now is 71.6 secs Computing kpt #: 124 total cpu time spent up to now is 71.8 secs Computing kpt #: 125 total cpu time spent up to now is 72.0 secs Computing kpt #: 126 total cpu time spent up to now is 72.1 secs Computing kpt #: 127 total cpu time spent up to now is 72.3 secs Computing kpt #: 128 total cpu time spent up to now is 72.5 secs Computing kpt #: 129 total cpu time spent up to now is 72.7 secs Computing kpt #: 130 total cpu time spent up to now is 73.1 secs Computing kpt #: 131 total cpu time spent up to now is 73.6 secs Computing kpt #: 132 total cpu time spent up to now is 73.9 secs Computing kpt #: 133 total cpu time spent up to now is 74.1 secs Computing kpt #: 134 total cpu time spent up to now is 74.5 secs Computing kpt #: 135 total cpu time spent up to now is 75.2 secs Computing kpt #: 136 total cpu time spent up to now is 75.4 secs Computing kpt #: 137 total cpu time spent up to now is 75.9 secs Computing kpt #: 138 total cpu time spent up to now is 76.3 secs Computing kpt #: 139 total cpu time spent up to now is 76.5 secs Computing kpt #: 140 total cpu time spent up to now is 77.0 secs Computing kpt #: 141 total cpu time spent up to now is 77.2 secs Computing kpt #: 142 total cpu time spent up to now is 77.4 secs Computing kpt #: 143 total cpu time spent up to now is 77.9 secs Computing kpt #: 144 total cpu time spent up to now is 78.1 secs Computing kpt #: 145 total cpu time spent up to now is 78.2 secs Computing kpt #: 146 total cpu time spent up to now is 78.6 secs Computing kpt #: 147 total cpu time spent up to now is 79.4 secs Computing kpt #: 148 total cpu time spent up to now is 79.9 secs Computing kpt #: 149 total cpu time spent up to now is 80.1 secs Computing kpt #: 150 total cpu time spent up to now is 80.5 secs Computing kpt #: 151 total cpu time spent up to now is 81.4 secs Computing kpt #: 152 total cpu time spent up to now is 81.8 secs Computing kpt #: 153 total cpu time spent up to now is 82.2 secs Computing kpt #: 154 total cpu time spent up to now is 82.6 secs Computing kpt #: 155 total cpu time spent up to now is 82.9 secs Computing kpt #: 156 total cpu time spent up to now is 83.2 secs Computing kpt #: 157 total cpu time spent up to now is 83.7 secs Computing kpt #: 158 total cpu time spent up to now is 84.0 secs Computing kpt #: 159 total cpu time spent up to now is 84.6 secs Computing kpt #: 160 total cpu time spent up to now is 85.3 secs Computing kpt #: 161 total cpu time spent up to now is 86.1 secs Computing kpt #: 162 total cpu time spent up to now is 86.4 secs Computing kpt #: 163 total cpu time spent up to now is 87.2 secs Computing kpt #: 164 total cpu time spent up to now is 87.5 secs Computing kpt #: 165 total cpu time spent up to now is 87.7 secs Computing kpt #: 166 total cpu time spent up to now is 87.9 secs Computing kpt #: 167 total cpu time spent up to now is 88.1 secs Computing kpt #: 168 total cpu time spent up to now is 88.2 secs Computing kpt #: 169 total cpu time spent up to now is 88.4 secs Computing kpt #: 170 total cpu time spent up to now is 88.5 secs Computing kpt #: 171 total cpu time spent up to now is 88.7 secs Computing kpt #: 172 total cpu time spent up to now is 88.8 secs Computing kpt #: 173 total cpu time spent up to now is 89.0 secs Computing kpt #: 174 total cpu time spent up to now is 89.1 secs Computing kpt #: 175 total cpu time spent up to now is 89.3 secs Computing kpt #: 176 total cpu time spent up to now is 89.4 secs Computing kpt #: 177 total cpu time spent up to now is 89.6 secs Computing kpt #: 178 total cpu time spent up to now is 89.8 secs Computing kpt #: 179 total cpu time spent up to now is 90.1 secs Computing kpt #: 180 total cpu time spent up to now is 90.5 secs Computing kpt #: 181 total cpu time spent up to now is 90.7 secs Computing kpt #: 182 total cpu time spent up to now is 90.8 secs Computing kpt #: 183 total cpu time spent up to now is 91.1 secs Computing kpt #: 184 total cpu time spent up to now is 91.3 secs Computing kpt #: 185 total cpu time spent up to now is 91.5 secs Computing kpt #: 186 total cpu time spent up to now is 91.9 secs Computing kpt #: 187 total cpu time spent up to now is 92.0 secs Computing kpt #: 188 total cpu time spent up to now is 92.2 secs Computing kpt #: 189 total cpu time spent up to now is 92.4 secs Computing kpt #: 190 total cpu time spent up to now is 92.7 secs Computing kpt #: 191 total cpu time spent up to now is 93.1 secs Computing kpt #: 192 total cpu time spent up to now is 93.9 secs Computing kpt #: 193 total cpu time spent up to now is 94.2 secs Computing kpt #: 194 total cpu time spent up to now is 94.5 secs Computing kpt #: 195 total cpu time spent up to now is 94.8 secs Computing kpt #: 196 total cpu time spent up to now is 95.0 secs Computing kpt #: 197 total cpu time spent up to now is 95.2 secs Computing kpt #: 198 total cpu time spent up to now is 95.5 secs Computing kpt #: 199 total cpu time spent up to now is 96.0 secs Computing kpt #: 200 total cpu time spent up to now is 96.8 secs Computing kpt #: 201 total cpu time spent up to now is 97.1 secs Computing kpt #: 202 total cpu time spent up to now is 97.3 secs Computing kpt #: 203 total cpu time spent up to now is 97.8 secs Computing kpt #: 204 total cpu time spent up to now is 98.2 secs Computing kpt #: 205 total cpu time spent up to now is 98.6 secs Computing kpt #: 206 total cpu time spent up to now is 98.8 secs Computing kpt #: 207 total cpu time spent up to now is 99.2 secs Computing kpt #: 208 total cpu time spent up to now is 99.5 secs Computing kpt #: 209 total cpu time spent up to now is 99.9 secs Computing kpt #: 210 total cpu time spent up to now is 100.4 secs Computing kpt #: 211 total cpu time spent up to now is 100.7 secs Computing kpt #: 212 total cpu time spent up to now is 100.9 secs Computing kpt #: 213 total cpu time spent up to now is 101.0 secs Computing kpt #: 214 total cpu time spent up to now is 101.2 secs Computing kpt #: 215 total cpu time spent up to now is 101.4 secs Computing kpt #: 216 total cpu time spent up to now is 101.6 secs Computing kpt #: 217 total cpu time spent up to now is 101.8 secs Computing kpt #: 218 total cpu time spent up to now is 102.0 secs Computing kpt #: 219 total cpu time spent up to now is 102.1 secs Computing kpt #: 220 total cpu time spent up to now is 102.3 secs Computing kpt #: 221 total cpu time spent up to now is 102.5 secs Computing kpt #: 222 total cpu time spent up to now is 102.7 secs Computing kpt #: 223 total cpu time spent up to now is 102.9 secs Computing kpt #: 224 total cpu time spent up to now is 103.1 secs Computing kpt #: 225 total cpu time spent up to now is 103.3 secs Computing kpt #: 226 total cpu time spent up to now is 103.5 secs Computing kpt #: 227 total cpu time spent up to now is 103.9 secs Computing kpt #: 228 total cpu time spent up to now is 104.1 secs Computing kpt #: 229 total cpu time spent up to now is 104.2 secs Computing kpt #: 230 total cpu time spent up to now is 104.4 secs Computing kpt #: 231 total cpu time spent up to now is 105.4 secs Computing kpt #: 232 total cpu time spent up to now is 105.8 secs Computing kpt #: 233 total cpu time spent up to now is 106.1 secs Computing kpt #: 234 total cpu time spent up to now is 106.6 secs Computing kpt #: 235 total cpu time spent up to now is 107.3 secs Computing kpt #: 236 total cpu time spent up to now is 107.6 secs Computing kpt #: 237 total cpu time spent up to now is 107.8 secs Computing kpt #: 238 total cpu time spent up to now is 108.1 secs Computing kpt #: 239 total cpu time spent up to now is 108.6 secs Computing kpt #: 240 total cpu time spent up to now is 108.8 secs Computing kpt #: 241 total cpu time spent up to now is 109.3 secs Computing kpt #: 242 total cpu time spent up to now is 110.0 secs Computing kpt #: 243 total cpu time spent up to now is 110.3 secs Computing kpt #: 244 total cpu time spent up to now is 110.5 secs Computing kpt #: 245 total cpu time spent up to now is 110.8 secs Computing kpt #: 246 total cpu time spent up to now is 111.1 secs Computing kpt #: 247 total cpu time spent up to now is 111.3 secs Computing kpt #: 248 total cpu time spent up to now is 111.7 secs Computing kpt #: 249 total cpu time spent up to now is 112.6 secs Computing kpt #: 250 total cpu time spent up to now is 113.1 secs Computing kpt #: 251 total cpu time spent up to now is 113.4 secs Computing kpt #: 252 total cpu time spent up to now is 113.6 secs Computing kpt #: 253 total cpu time spent up to now is 113.8 secs Computing kpt #: 254 total cpu time spent up to now is 114.0 secs Computing kpt #: 255 total cpu time spent up to now is 114.2 secs Computing kpt #: 256 total cpu time spent up to now is 114.3 secs Computing kpt #: 257 total cpu time spent up to now is 114.5 secs Computing kpt #: 258 total cpu time spent up to now is 114.7 secs Computing kpt #: 259 total cpu time spent up to now is 114.9 secs Computing kpt #: 260 total cpu time spent up to now is 115.0 secs Computing kpt #: 261 total cpu time spent up to now is 115.4 secs Computing kpt #: 262 total cpu time spent up to now is 115.6 secs Computing kpt #: 263 total cpu time spent up to now is 116.0 secs Computing kpt #: 264 total cpu time spent up to now is 116.2 secs Computing kpt #: 265 total cpu time spent up to now is 116.9 secs Computing kpt #: 266 total cpu time spent up to now is 117.3 secs Computing kpt #: 267 total cpu time spent up to now is 117.8 secs Computing kpt #: 268 total cpu time spent up to now is 118.1 secs Computing kpt #: 269 total cpu time spent up to now is 118.4 secs Computing kpt #: 270 total cpu time spent up to now is 118.6 secs Computing kpt #: 271 total cpu time spent up to now is 118.9 secs Computing kpt #: 272 total cpu time spent up to now is 119.2 secs Computing kpt #: 273 total cpu time spent up to now is 119.5 secs Computing kpt #: 274 total cpu time spent up to now is 120.1 secs Computing kpt #: 275 total cpu time spent up to now is 120.7 secs Computing kpt #: 276 total cpu time spent up to now is 121.0 secs Computing kpt #: 277 total cpu time spent up to now is 121.3 secs Computing kpt #: 278 total cpu time spent up to now is 121.5 secs Computing kpt #: 279 total cpu time spent up to now is 121.7 secs Computing kpt #: 280 total cpu time spent up to now is 121.9 secs Computing kpt #: 281 total cpu time spent up to now is 122.1 secs Computing kpt #: 282 total cpu time spent up to now is 122.2 secs Computing kpt #: 283 total cpu time spent up to now is 122.4 secs Computing kpt #: 284 total cpu time spent up to now is 122.6 secs Computing kpt #: 285 total cpu time spent up to now is 122.8 secs Computing kpt #: 286 total cpu time spent up to now is 123.0 secs Computing kpt #: 287 total cpu time spent up to now is 123.2 secs Computing kpt #: 288 total cpu time spent up to now is 124.3 secs Computing kpt #: 289 total cpu time spent up to now is 124.9 secs Computing kpt #: 290 total cpu time spent up to now is 125.2 secs Computing kpt #: 291 total cpu time spent up to now is 125.6 secs Computing kpt #: 292 total cpu time spent up to now is 125.8 secs Computing kpt #: 293 total cpu time spent up to now is 126.1 secs Computing kpt #: 294 total cpu time spent up to now is 126.6 secs Computing kpt #: 295 total cpu time spent up to now is 126.9 secs Computing kpt #: 296 total cpu time spent up to now is 127.2 secs Computing kpt #: 297 total cpu time spent up to now is 127.8 secs Computing kpt #: 298 total cpu time spent up to now is 128.4 secs Computing kpt #: 299 total cpu time spent up to now is 128.7 secs Computing kpt #: 300 total cpu time spent up to now is 128.9 secs Computing kpt #: 301 total cpu time spent up to now is 129.0 secs Computing kpt #: 302 total cpu time spent up to now is 129.4 secs Computing kpt #: 303 total cpu time spent up to now is 129.6 secs Computing kpt #: 304 total cpu time spent up to now is 130.4 secs Computing kpt #: 305 total cpu time spent up to now is 131.0 secs Computing kpt #: 306 total cpu time spent up to now is 131.4 secs Computing kpt #: 307 total cpu time spent up to now is 131.9 secs Computing kpt #: 308 total cpu time spent up to now is 132.1 secs Computing kpt #: 309 total cpu time spent up to now is 132.2 secs Computing kpt #: 310 total cpu time spent up to now is 132.4 secs Computing kpt #: 311 total cpu time spent up to now is 132.6 secs Computing kpt #: 312 total cpu time spent up to now is 132.7 secs Computing kpt #: 313 total cpu time spent up to now is 132.9 secs Computing kpt #: 314 total cpu time spent up to now is 133.0 secs Computing kpt #: 315 total cpu time spent up to now is 133.2 secs Computing kpt #: 316 total cpu time spent up to now is 133.3 secs Computing kpt #: 317 total cpu time spent up to now is 133.5 secs Computing kpt #: 318 total cpu time spent up to now is 133.6 secs Computing kpt #: 319 total cpu time spent up to now is 133.8 secs Computing kpt #: 320 total cpu time spent up to now is 133.9 secs Computing kpt #: 321 total cpu time spent up to now is 134.1 secs Computing kpt #: 322 total cpu time spent up to now is 134.6 secs Computing kpt #: 323 total cpu time spent up to now is 134.7 secs Computing kpt #: 324 total cpu time spent up to now is 134.9 secs Computing kpt #: 325 total cpu time spent up to now is 135.2 secs Computing kpt #: 326 total cpu time spent up to now is 135.5 secs Computing kpt #: 327 total cpu time spent up to now is 135.8 secs Computing kpt #: 328 total cpu time spent up to now is 136.2 secs Computing kpt #: 329 total cpu time spent up to now is 136.8 secs Computing kpt #: 330 total cpu time spent up to now is 137.0 secs Computing kpt #: 331 total cpu time spent up to now is 137.4 secs Computing kpt #: 332 total cpu time spent up to now is 137.7 secs Computing kpt #: 333 total cpu time spent up to now is 137.9 secs Computing kpt #: 334 total cpu time spent up to now is 138.4 secs Computing kpt #: 335 total cpu time spent up to now is 138.6 secs Computing kpt #: 336 total cpu time spent up to now is 138.8 secs Computing kpt #: 337 total cpu time spent up to now is 139.2 secs Computing kpt #: 338 total cpu time spent up to now is 139.7 secs Computing kpt #: 339 total cpu time spent up to now is 140.1 secs Computing kpt #: 340 total cpu time spent up to now is 140.9 secs Computing kpt #: 341 total cpu time spent up to now is 141.5 secs Computing kpt #: 342 total cpu time spent up to now is 141.9 secs Computing kpt #: 343 total cpu time spent up to now is 142.9 secs Computing kpt #: 344 total cpu time spent up to now is 143.4 secs Computing kpt #: 345 total cpu time spent up to now is 143.8 secs Computing kpt #: 346 total cpu time spent up to now is 144.3 secs Computing kpt #: 347 total cpu time spent up to now is 144.7 secs Computing kpt #: 348 total cpu time spent up to now is 145.1 secs Computing kpt #: 349 total cpu time spent up to now is 145.4 secs Computing kpt #: 350 total cpu time spent up to now is 146.1 secs Computing kpt #: 351 total cpu time spent up to now is 146.2 secs Computing kpt #: 352 total cpu time spent up to now is 146.4 secs Computing kpt #: 353 total cpu time spent up to now is 146.6 secs Computing kpt #: 354 total cpu time spent up to now is 146.8 secs Computing kpt #: 355 total cpu time spent up to now is 146.9 secs Computing kpt #: 356 total cpu time spent up to now is 147.1 secs Computing kpt #: 357 total cpu time spent up to now is 147.3 secs Computing kpt #: 358 total cpu time spent up to now is 147.4 secs Computing kpt #: 359 total cpu time spent up to now is 147.6 secs Computing kpt #: 360 total cpu time spent up to now is 147.8 secs Computing kpt #: 361 total cpu time spent up to now is 147.9 secs Computing kpt #: 362 total cpu time spent up to now is 148.1 secs Computing kpt #: 363 total cpu time spent up to now is 148.4 secs Computing kpt #: 364 total cpu time spent up to now is 148.6 secs Computing kpt #: 365 total cpu time spent up to now is 149.2 secs Computing kpt #: 366 total cpu time spent up to now is 149.5 secs Computing kpt #: 367 total cpu time spent up to now is 149.9 secs Computing kpt #: 368 total cpu time spent up to now is 150.3 secs Computing kpt #: 369 total cpu time spent up to now is 151.2 secs Computing kpt #: 370 total cpu time spent up to now is 151.9 secs Computing kpt #: 371 total cpu time spent up to now is 152.1 secs Computing kpt #: 372 total cpu time spent up to now is 152.4 secs Computing kpt #: 373 total cpu time spent up to now is 153.0 secs Computing kpt #: 374 total cpu time spent up to now is 153.2 secs Computing kpt #: 375 total cpu time spent up to now is 153.4 secs Computing kpt #: 376 total cpu time spent up to now is 153.5 secs Computing kpt #: 377 total cpu time spent up to now is 153.7 secs Computing kpt #: 378 total cpu time spent up to now is 153.9 secs Computing kpt #: 379 total cpu time spent up to now is 154.0 secs Computing kpt #: 380 total cpu time spent up to now is 154.2 secs Computing kpt #: 381 total cpu time spent up to now is 154.4 secs Computing kpt #: 382 total cpu time spent up to now is 154.5 secs Computing kpt #: 383 total cpu time spent up to now is 154.7 secs Computing kpt #: 384 total cpu time spent up to now is 154.9 secs Computing kpt #: 385 total cpu time spent up to now is 155.0 secs Computing kpt #: 386 total cpu time spent up to now is 155.2 secs Computing kpt #: 387 total cpu time spent up to now is 155.5 secs Computing kpt #: 388 total cpu time spent up to now is 155.7 secs Computing kpt #: 389 total cpu time spent up to now is 155.8 secs Computing kpt #: 390 total cpu time spent up to now is 156.2 secs Computing kpt #: 391 total cpu time spent up to now is 156.9 secs Computing kpt #: 392 total cpu time spent up to now is 158.0 secs Computing kpt #: 393 total cpu time spent up to now is 158.9 secs Computing kpt #: 394 total cpu time spent up to now is 159.9 secs Computing kpt #: 395 total cpu time spent up to now is 160.4 secs Computing kpt #: 396 total cpu time spent up to now is 160.7 secs Computing kpt #: 397 total cpu time spent up to now is 161.1 secs Computing kpt #: 398 total cpu time spent up to now is 161.5 secs Computing kpt #: 399 total cpu time spent up to now is 162.0 secs Computing kpt #: 400 total cpu time spent up to now is 162.2 secs Computing kpt #: 401 total cpu time spent up to now is 162.5 secs Computing kpt #: 402 total cpu time spent up to now is 162.9 secs Computing kpt #: 403 total cpu time spent up to now is 163.2 secs Computing kpt #: 404 total cpu time spent up to now is 163.6 secs Computing kpt #: 405 total cpu time spent up to now is 164.0 secs Computing kpt #: 406 total cpu time spent up to now is 164.3 secs Computing kpt #: 407 total cpu time spent up to now is 164.5 secs Computing kpt #: 408 total cpu time spent up to now is 164.7 secs Computing kpt #: 409 total cpu time spent up to now is 164.8 secs Computing kpt #: 410 total cpu time spent up to now is 165.0 secs Computing kpt #: 411 total cpu time spent up to now is 165.2 secs Computing kpt #: 412 total cpu time spent up to now is 165.4 secs Computing kpt #: 413 total cpu time spent up to now is 165.6 secs Computing kpt #: 414 total cpu time spent up to now is 165.7 secs Computing kpt #: 415 total cpu time spent up to now is 165.9 secs Computing kpt #: 416 total cpu time spent up to now is 166.3 secs Computing kpt #: 417 total cpu time spent up to now is 166.5 secs Computing kpt #: 418 total cpu time spent up to now is 166.8 secs Computing kpt #: 419 total cpu time spent up to now is 166.9 secs Computing kpt #: 420 total cpu time spent up to now is 167.2 secs Computing kpt #: 421 total cpu time spent up to now is 167.5 secs Computing kpt #: 422 total cpu time spent up to now is 168.2 secs Computing kpt #: 423 total cpu time spent up to now is 168.7 secs Computing kpt #: 424 total cpu time spent up to now is 169.0 secs Computing kpt #: 425 total cpu time spent up to now is 169.3 secs Computing kpt #: 426 total cpu time spent up to now is 169.6 secs Computing kpt #: 427 total cpu time spent up to now is 170.2 secs Computing kpt #: 428 total cpu time spent up to now is 170.4 secs Computing kpt #: 429 total cpu time spent up to now is 170.8 secs Computing kpt #: 430 total cpu time spent up to now is 171.1 secs Computing kpt #: 431 total cpu time spent up to now is 171.7 secs Computing kpt #: 432 total cpu time spent up to now is 172.0 secs Computing kpt #: 433 total cpu time spent up to now is 172.2 secs Computing kpt #: 434 total cpu time spent up to now is 172.5 secs Computing kpt #: 435 total cpu time spent up to now is 173.0 secs Computing kpt #: 436 total cpu time spent up to now is 173.3 secs Computing kpt #: 437 total cpu time spent up to now is 173.7 secs Computing kpt #: 438 total cpu time spent up to now is 174.0 secs Computing kpt #: 439 total cpu time spent up to now is 174.2 secs Computing kpt #: 440 total cpu time spent up to now is 174.3 secs Computing kpt #: 441 total cpu time spent up to now is 174.5 secs Computing kpt #: 442 total cpu time spent up to now is 174.6 secs Computing kpt #: 443 total cpu time spent up to now is 174.8 secs Computing kpt #: 444 total cpu time spent up to now is 175.0 secs Computing kpt #: 445 total cpu time spent up to now is 175.1 secs Computing kpt #: 446 total cpu time spent up to now is 175.3 secs Computing kpt #: 447 total cpu time spent up to now is 175.4 secs Computing kpt #: 448 total cpu time spent up to now is 175.6 secs Computing kpt #: 449 total cpu time spent up to now is 175.7 secs Computing kpt #: 450 total cpu time spent up to now is 175.9 secs Computing kpt #: 451 total cpu time spent up to now is 176.1 secs Computing kpt #: 452 total cpu time spent up to now is 176.2 secs Computing kpt #: 453 total cpu time spent up to now is 176.4 secs Computing kpt #: 454 total cpu time spent up to now is 176.8 secs Computing kpt #: 455 total cpu time spent up to now is 177.4 secs Computing kpt #: 456 total cpu time spent up to now is 177.8 secs Computing kpt #: 457 total cpu time spent up to now is 178.1 secs Computing kpt #: 458 total cpu time spent up to now is 178.3 secs Computing kpt #: 459 total cpu time spent up to now is 178.6 secs Computing kpt #: 460 total cpu time spent up to now is 179.1 secs Computing kpt #: 461 total cpu time spent up to now is 179.6 secs Computing kpt #: 462 total cpu time spent up to now is 180.2 secs Computing kpt #: 463 total cpu time spent up to now is 180.4 secs Computing kpt #: 464 total cpu time spent up to now is 180.8 secs Computing kpt #: 465 total cpu time spent up to now is 181.1 secs Computing kpt #: 466 total cpu time spent up to now is 181.7 secs Computing kpt #: 467 total cpu time spent up to now is 182.2 secs Computing kpt #: 468 total cpu time spent up to now is 182.5 secs Computing kpt #: 469 total cpu time spent up to now is 183.1 secs Computing kpt #: 470 total cpu time spent up to now is 183.3 secs Computing kpt #: 471 total cpu time spent up to now is 183.8 secs Computing kpt #: 472 total cpu time spent up to now is 184.0 secs ethr = 6.25E-11, avg # of iterations = 15.5 total cpu time spent up to now is 184.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -6.8967 -6.8967 3.5230 3.5230 3.5230 3.5230 3.6218 3.6218 5.6443 5.6443 5.6443 5.6443 10.5913 10.5913 10.5913 10.5913 10.6496 10.6496 12.3117 12.3117 22.6398 22.6398 22.8961 22.8961 k = 0.0070-0.0041 0.0057 ( 749 PWs) bands (ev): -6.8959 -6.8959 3.5223 3.5223 3.5237 3.5237 3.6217 3.6217 5.6429 5.6429 5.6455 5.6455 10.5879 10.5879 10.5902 10.5902 10.6474 10.6474 12.3169 12.3169 22.6388 22.6388 22.8933 22.8933 k = 0.0141-0.0081 0.0115 ( 749 PWs) bands (ev): -6.8936 -6.8936 3.5209 3.5209 3.5248 3.5248 3.6216 3.6216 5.6413 5.6413 5.6466 5.6466 10.5784 10.5784 10.5860 10.5860 10.6411 10.6411 12.3323 12.3323 22.6357 22.6357 22.8852 22.8852 k = 0.0211-0.0122 0.0172 ( 749 PWs) bands (ev): -6.8897 -6.8897 3.5186 3.5186 3.5265 3.5265 3.6215 3.6215 5.6394 5.6394 5.6477 5.6477 10.5623 10.5623 10.5788 10.5788 10.6315 10.6315 12.3576 12.3576 22.6295 22.6295 22.8727 22.8727 k = 0.0282-0.0163 0.0230 ( 753 PWs) bands (ev): -6.8842 -6.8842 3.5153 3.5153 3.5288 3.5288 3.6215 3.6215 5.6368 5.6368 5.6488 5.6488 10.5395 10.5395 10.5688 10.5688 10.6191 10.6191 12.3919 12.3919 22.6191 22.6191 22.8575 22.8575 k = 0.0352-0.0203 0.0287 ( 761 PWs) bands (ev): -6.8773 -6.8773 3.5107 3.5107 3.5315 3.5315 3.6218 3.6218 5.6339 5.6339 5.6501 5.6501 10.5103 10.5103 10.5559 10.5559 10.6042 10.6042 12.4346 12.4346 22.6026 22.6026 22.8417 22.8417 k = 0.0423-0.0244 0.0345 ( 761 PWs) bands (ev): -6.8688 -6.8688 3.5048 3.5048 3.5351 3.5351 3.6228 3.6228 5.6307 5.6307 5.6516 5.6516 10.4757 10.4757 10.5403 10.5403 10.5873 10.5873 12.4848 12.4848 22.5779 22.5779 22.8280 22.8280 k = 0.0493-0.0285 0.0402 ( 769 PWs) bands (ev): -6.8587 -6.8587 3.4973 3.4973 3.5391 3.5391 3.6243 3.6243 5.6269 5.6269 5.6531 5.6531 10.4363 10.4363 10.5219 10.5219 10.5678 10.5679 12.5416 12.5416 22.5436 22.5436 22.8183 22.8183 k = 0.0563-0.0325 0.0460 ( 769 PWs) bands (ev): -6.8472 -6.8472 3.4883 3.4883 3.5440 3.5440 3.6268 3.6268 5.6227 5.6227 5.6550 5.6550 10.3932 10.3932 10.5008 10.5008 10.5462 10.5462 12.6042 12.6042 22.4994 22.4994 22.8135 22.8135 k = 0.0634-0.0366 0.0517 ( 773 PWs) bands (ev): -6.8341 -6.8341 3.4776 3.4776 3.5494 3.5494 3.6300 3.6300 5.6180 5.6180 5.6570 5.6570 10.3469 10.3469 10.4770 10.4770 10.5221 10.5221 12.6719 12.6719 22.4460 22.4460 22.8135 22.8135 k = 0.0704-0.0407 0.0575 ( 773 PWs) bands (ev): -6.8196 -6.8196 3.4654 3.4654 3.5555 3.5555 3.6343 3.6343 5.6128 5.6128 5.6592 5.6592 10.2980 10.2980 10.4506 10.4506 10.4956 10.4956 12.7439 12.7439 22.3847 22.3847 22.8175 22.8175 k = 0.0775-0.0447 0.0632 ( 773 PWs) bands (ev): -6.8037 -6.8037 3.4516 3.4516 3.5623 3.5623 3.6395 3.6395 5.6072 5.6072 5.6617 5.6617 10.2473 10.2473 10.4217 10.4217 10.4667 10.4667 12.8197 12.8197 22.3168 22.3168 22.8251 22.8251 k = 0.0845-0.0488 0.0690 ( 781 PWs) bands (ev): -6.7862 -6.7862 3.4361 3.4361 3.5698 3.5698 3.6455 3.6455 5.6010 5.6010 5.6643 5.6643 10.1948 10.1948 10.3901 10.3901 10.4352 10.4352 12.8986 12.8986 22.2434 22.2434 22.8356 22.8356 k = 0.0915-0.0529 0.0747 ( 781 PWs) bands (ev): -6.7674 -6.7674 3.4194 3.4194 3.5779 3.5779 3.6524 3.6524 5.5945 5.5945 5.6671 5.6671 10.1412 10.1412 10.3562 10.3562 10.4016 10.4016 12.9803 12.9803 22.1656 22.1656 22.8487 22.8487 k = 0.0986-0.0569 0.0805 ( 781 PWs) bands (ev): -6.7472 -6.7472 3.4015 3.4015 3.5867 3.5867 3.6602 3.6602 5.5876 5.5876 5.6701 5.6701 10.0867 10.0867 10.3200 10.3200 10.3656 10.3656 13.0642 13.0642 22.0840 22.0840 22.8642 22.8642 k = 0.1056-0.0610 0.0862 ( 781 PWs) bands (ev): -6.7256 -6.7256 3.3824 3.3824 3.5961 3.5961 3.6688 3.6688 5.5802 5.5802 5.6733 5.6733 10.0315 10.0315 10.2814 10.2814 10.3273 10.3273 13.1500 13.1500 21.9995 21.9995 22.8818 22.8818 k = 0.1127-0.0651 0.0920 ( 781 PWs) bands (ev): -6.7026 -6.7026 3.3622 3.3622 3.6062 3.6062 3.6782 3.6782 5.5725 5.5725 5.6767 5.6767 9.9757 9.9757 10.2406 10.2406 10.2869 10.2869 13.2373 13.2373 21.9127 21.9127 22.9015 22.9015 k = 0.1197-0.0691 0.0977 ( 781 PWs) bands (ev): -6.6784 -6.6784 3.3410 3.3410 3.6170 3.6170 3.6883 3.6883 5.5645 5.5645 5.6803 5.6803 9.9194 9.9194 10.1976 10.1976 10.2444 10.2444 13.3257 13.3257 21.8240 21.8240 22.9233 22.9233 k = 0.1268-0.0732 0.1035 ( 777 PWs) bands (ev): -6.6529 -6.6529 3.3189 3.3189 3.6285 3.6285 3.6993 3.6993 5.5561 5.5561 5.6843 5.6843 9.8629 9.8629 10.1526 10.1526 10.1999 10.1999 13.4150 13.4150 21.7340 21.7340 22.9471 22.9471 k = 0.1338-0.0773 0.1092 ( 785 PWs) bands (ev): -6.6261 -6.6261 3.2959 3.2959 3.6404 3.6404 3.7108 3.7108 5.5474 5.5474 5.6879 5.6879 9.8060 9.8060 10.1056 10.1056 10.1533 10.1533 13.5048 13.5048 21.6431 21.6431 22.9728 22.9728 k = 0.1408-0.0813 0.1150 ( 785 PWs) bands (ev): -6.5982 -6.5982 3.2722 3.2722 3.6532 3.6532 3.7231 3.7231 5.5384 5.5384 5.6920 5.6920 9.7488 9.7488 10.0567 10.0567 10.1049 10.1049 13.5948 13.5948 21.5517 21.5517 23.0004 23.0004 k = 0.1479-0.0854 0.1207 ( 785 PWs) bands (ev): -6.5691 -6.5691 3.2479 3.2479 3.6666 3.6666 3.7362 3.7362 5.5292 5.5292 5.6962 5.6962 9.6915 9.6915 10.0061 10.0061 10.0547 10.0547 13.6847 13.6847 21.4603 21.4603 23.0300 23.0300 k = 0.1549-0.0894 0.1265 ( 785 PWs) bands (ev): -6.5388 -6.5388 3.2231 3.2231 3.6806 3.6806 3.7500 3.7500 5.5199 5.5199 5.7006 5.7006 9.6339 9.6339 9.9537 9.9537 10.0028 10.0028 13.7743 13.7743 21.3691 21.3691 23.0614 23.0614 k = 0.1620-0.0935 0.1322 ( 785 PWs) bands (ev): -6.5075 -6.5075 3.1978 3.1978 3.6954 3.6954 3.7645 3.7645 5.5103 5.5103 5.7052 5.7052 9.5761 9.5761 9.8997 9.8997 9.9493 9.9493 13.8633 13.8633 21.2784 21.2784 23.0947 23.0947 k = 0.1690-0.0976 0.1380 ( 785 PWs) bands (ev): -6.4752 -6.4752 3.1721 3.1721 3.7107 3.7107 3.7797 3.7797 5.5007 5.5007 5.7098 5.7098 9.5181 9.5181 9.8442 9.8442 9.8942 9.8942 13.9513 13.9513 21.1886 21.1886 23.1298 23.1298 k = 0.1761-0.1016 0.1437 ( 785 PWs) bands (ev): -6.4418 -6.4418 3.1462 3.1462 3.7268 3.7268 3.7956 3.7956 5.4909 5.4909 5.7146 5.7146 9.4598 9.4598 9.7873 9.7873 9.8378 9.8378 14.0381 14.0381 21.1000 21.1000 23.1668 23.1668 k = 0.1831-0.1057 0.1495 ( 785 PWs) bands (ev): -6.4076 -6.4076 3.1200 3.1200 3.7434 3.7434 3.8121 3.8121 5.4811 5.4811 5.7195 5.7195 9.4011 9.4011 9.7291 9.7291 9.7800 9.7800 14.1235 14.1235 21.0128 21.0128 23.2054 23.2054 k = 0.1901-0.1098 0.1552 ( 785 PWs) bands (ev): -6.3724 -6.3724 3.0937 3.0937 3.7608 3.7608 3.8293 3.8293 5.4713 5.4713 5.7245 5.7245 9.3422 9.3422 9.6697 9.6697 9.7209 9.7209 14.2071 14.2071 20.9272 20.9272 23.2458 23.2458 k = 0.1972-0.1138 0.1610 ( 785 PWs) bands (ev): -6.3365 -6.3365 3.0674 3.0674 3.7787 3.7787 3.8472 3.8472 5.4615 5.4615 5.7296 5.7296 9.2828 9.2828 9.6091 9.6091 9.6607 9.6607 14.2886 14.2886 20.8435 20.8435 23.2875 23.2875 k = 0.2042-0.1179 0.1667 ( 785 PWs) bands (ev): -6.2997 -6.2997 3.0411 3.0411 3.7973 3.7973 3.8657 3.8657 5.4518 5.4518 5.7348 5.7348 9.2230 9.2230 9.5475 9.5475 9.5995 9.5995 14.3678 14.3678 20.7620 20.7620 23.3289 23.3289 k = 0.2113-0.1220 0.1725 ( 785 PWs) bands (ev): -6.2623 -6.2623 3.0149 3.0149 3.8166 3.8166 3.8848 3.8848 5.4423 5.4423 5.7401 5.7401 9.1627 9.1627 9.4850 9.4850 9.5373 9.5373 14.4443 14.4443 20.6828 20.6828 23.2861 23.2861 k = 0.2183-0.1260 0.1782 ( 785 PWs) bands (ev): -6.2242 -6.2242 2.9889 2.9889 3.8364 3.8364 3.9046 3.9046 5.4329 5.4329 5.7455 5.7455 9.1020 9.1020 9.4217 9.4217 9.4742 9.4742 14.5180 14.5180 20.6062 20.6062 23.1292 23.1292 k = 0.2254-0.1301 0.1840 ( 785 PWs) bands (ev): -6.1856 -6.1856 2.9631 2.9631 3.8569 3.8569 3.9250 3.9250 5.4237 5.4237 5.7509 5.7509 9.0406 9.0406 9.3577 9.3577 9.4104 9.4104 14.5885 14.5885 20.5323 20.5323 22.9760 22.9760 k = 0.2324-0.1342 0.1897 ( 785 PWs) bands (ev): -6.1464 -6.1464 2.9377 2.9377 3.8779 3.8779 3.9460 3.9460 5.4149 5.4149 5.7563 5.7563 8.9787 8.9787 9.2930 9.2930 9.3459 9.3459 14.6555 14.6555 20.4614 20.4614 22.8298 22.8298 k = 0.2394-0.1382 0.1955 ( 785 PWs) bands (ev): -6.1068 -6.1068 2.9127 2.9127 3.8995 3.8995 3.9676 3.9676 5.4063 5.4063 5.7618 5.7618 8.9162 8.9162 9.2278 9.2278 9.2808 9.2808 14.7189 14.7189 20.3935 20.3935 22.6907 22.6907 k = 0.2465-0.1423 0.2012 ( 769 PWs) bands (ev): -6.0669 -6.0669 2.8882 2.8882 3.9222 3.9222 3.9902 3.9902 5.3984 5.3984 5.7675 5.7675 8.8531 8.8531 9.1623 9.1623 9.2154 9.2154 14.7785 14.7785 20.3290 20.3290 22.5591 22.5591 k = 0.2535-0.1464 0.2070 ( 769 PWs) bands (ev): -6.0266 -6.0266 2.8642 2.8642 3.9450 3.9450 4.0129 4.0129 5.3906 5.3906 5.7730 5.7730 8.7892 8.7892 9.0964 9.0964 9.1495 9.1495 14.8338 14.8338 20.2677 20.2677 22.4349 22.4349 k = 0.2606-0.1504 0.2127 ( 785 PWs) bands (ev): -5.9861 -5.9861 2.8404 2.8404 3.9680 3.9680 4.0358 4.0358 5.3829 5.3829 5.7785 5.7785 8.7246 8.7246 9.0302 9.0302 9.0832 9.0832 14.8849 14.8849 20.2097 20.2097 22.3183 22.3183 k = 0.2676-0.1545 0.2185 ( 785 PWs) bands (ev): -5.9455 -5.9455 2.8175 2.8175 3.9918 3.9918 4.0595 4.0595 5.3762 5.3762 5.7841 5.7841 8.6594 8.6594 8.9640 8.9640 9.0169 9.0169 14.9316 14.9316 20.1552 20.1552 22.2093 22.2093 k = 0.2746-0.1586 0.2242 ( 785 PWs) bands (ev): -5.9048 -5.9048 2.7953 2.7953 4.0161 4.0161 4.0837 4.0837 5.3701 5.3701 5.7896 5.7896 8.5936 8.5936 8.8977 8.8977 8.9505 8.9505 14.9738 14.9738 20.1041 20.1041 22.1079 22.1079 k = 0.2817-0.1626 0.2300 ( 785 PWs) bands (ev): -5.8642 -5.8642 2.7737 2.7737 4.0408 4.0408 4.1084 4.1084 5.3646 5.3646 5.7952 5.7952 8.5272 8.5272 8.8315 8.8315 8.8841 8.8841 15.0115 15.0115 20.0564 20.0564 22.0142 22.0142 k = 0.2887-0.1667 0.2357 ( 793 PWs) bands (ev): -5.8236 -5.8236 2.7527 2.7527 4.0660 4.0660 4.1335 4.1335 5.3595 5.3595 5.8005 5.8005 8.4600 8.4600 8.7655 8.7655 8.8178 8.8178 15.0446 15.0446 20.0119 20.0119 21.9282 21.9282 k = 0.2958-0.1708 0.2415 ( 793 PWs) bands (ev): -5.7833 -5.7833 2.7327 2.7327 4.0916 4.0916 4.1589 4.1589 5.3555 5.3555 5.8060 5.8060 8.3924 8.3924 8.6997 8.6997 8.7517 8.7517 15.0733 15.0733 19.9704 19.9704 21.8498 21.8498 k = 0.3028-0.1748 0.2472 ( 789 PWs) bands (ev): -5.7432 -5.7432 2.7135 2.7135 4.1176 4.1176 4.1848 4.1848 5.3524 5.3524 5.8114 5.8114 8.3243 8.3243 8.6344 8.6344 8.6860 8.6860 15.0976 15.0976 19.9319 19.9319 21.7791 21.7791 k = 0.3099-0.1789 0.2530 ( 789 PWs) bands (ev): -5.7034 -5.7034 2.6952 2.6952 4.1439 4.1439 4.2109 4.2109 5.3500 5.3500 5.8168 5.8168 8.2556 8.2556 8.5696 8.5696 8.6207 8.6207 15.1175 15.1175 19.8960 19.8960 21.7158 21.7158 k = 0.3169-0.1830 0.2587 ( 789 PWs) bands (ev): -5.6641 -5.6641 2.6776 2.6776 4.1705 4.1705 4.2373 4.2373 5.3484 5.3484 5.8221 5.8221 8.1866 8.1866 8.5054 8.5054 8.5560 8.5560 15.1335 15.1335 19.8626 19.8626 21.6600 21.6600 k = 0.3239-0.1870 0.2645 ( 789 PWs) bands (ev): -5.6254 -5.6254 2.6610 2.6610 4.1973 4.1973 4.2639 4.2639 5.3478 5.3478 5.8274 5.8274 8.1172 8.1172 8.4419 8.4419 8.4920 8.4920 15.1455 15.1455 19.8314 19.8314 21.6114 21.6114 k = 0.3310-0.1911 0.2702 ( 777 PWs) bands (ev): -5.5872 -5.5872 2.6453 2.6453 4.2246 4.2246 4.2910 4.2910 5.3482 5.3482 5.8327 5.8327 8.0477 8.0477 8.3793 8.3793 8.4288 8.4288 15.1540 15.1540 19.8021 19.8021 21.5700 21.5700 k = 0.3380-0.1952 0.2760 ( 777 PWs) bands (ev): -5.5498 -5.5498 2.6304 2.6304 4.2518 4.2518 4.3178 4.3178 5.3496 5.3496 5.8378 5.8378 7.9780 7.9780 8.3175 8.3175 8.3664 8.3664 15.1591 15.1591 19.7744 19.7744 21.5353 21.5353 k = 0.3451-0.1992 0.2817 ( 777 PWs) bands (ev): -5.5132 -5.5132 2.6164 2.6164 4.2790 4.2790 4.3447 4.3447 5.3520 5.3520 5.8429 5.8429 7.9083 7.9083 8.2568 8.2568 8.3050 8.3050 15.1613 15.1613 19.7483 19.7483 21.5071 21.5071 k = 0.3521-0.2033 0.2875 ( 777 PWs) bands (ev): -5.4774 -5.4774 2.6033 2.6033 4.3062 4.3062 4.3715 4.3715 5.3554 5.3554 5.8478 5.8478 7.8388 7.8388 8.1974 8.1974 8.2448 8.2448 15.1607 15.1607 19.7234 19.7234 21.4851 21.4851 k = 0.3592-0.2074 0.2932 ( 777 PWs) bands (ev): -5.4427 -5.4427 2.5910 2.5910 4.3333 4.3333 4.3982 4.3982 5.3599 5.3599 5.8526 5.8526 7.7696 7.7696 8.1392 8.1392 8.1858 8.1858 15.1578 15.1578 19.6997 19.6997 21.4689 21.4689 k = 0.3662-0.2114 0.2990 ( 777 PWs) bands (ev): -5.4090 -5.4090 2.5796 2.5796 4.3602 4.3602 4.4246 4.4246 5.3655 5.3655 5.8574 5.8574 7.7008 7.7008 8.0825 8.0825 8.1282 8.1282 15.1529 15.1529 19.6769 19.6769 21.4579 21.4579 k = 0.3732-0.2155 0.3047 ( 777 PWs) bands (ev): -5.3764 -5.3764 2.5691 2.5691 4.3869 4.3869 4.4508 4.4508 5.3721 5.3721 5.8620 5.8620 7.6326 7.6326 8.0273 8.0273 8.0721 8.0721 15.1463 15.1463 19.6551 19.6551 21.4518 21.4518 k = 0.3803-0.2196 0.3105 ( 777 PWs) bands (ev): -5.3451 -5.3451 2.5594 2.5594 4.4133 4.4133 4.4766 4.4766 5.3797 5.3797 5.8666 5.8666 7.5653 7.5653 7.9739 7.9739 8.0177 8.0177 15.1382 15.1382 19.6342 19.6342 21.4499 21.4499 k = 0.3873-0.2236 0.3162 ( 777 PWs) bands (ev): -5.3150 -5.3150 2.5505 2.5505 4.4392 4.4392 4.5018 4.5018 5.3884 5.3884 5.8710 5.8710 7.4990 7.4990 7.9224 7.9224 7.9651 7.9651 15.1291 15.1291 19.6142 19.6142 21.4518 21.4518 k = 0.3944-0.2277 0.3220 ( 773 PWs) bands (ev): -5.2864 -5.2864 2.5424 2.5424 4.4647 4.4647 4.5266 4.5266 5.3980 5.3980 5.8755 5.8755 7.4341 7.4341 7.8730 7.8730 7.9146 7.9146 15.1192 15.1192 19.5950 19.5950 21.4569 21.4569 k = 0.4014-0.2318 0.3277 ( 773 PWs) bands (ev): -5.2592 -5.2592 2.5350 2.5350 4.4894 4.4894 4.5505 4.5505 5.4084 5.4084 5.8797 5.8797 7.3706 7.3706 7.8257 7.8257 7.8661 7.8661 15.1088 15.1088 19.5768 19.5768 21.4646 21.4646 k = 0.4085-0.2358 0.3335 ( 773 PWs) bands (ev): -5.2335 -5.2335 2.5283 2.5283 4.5132 4.5132 4.5735 4.5735 5.4196 5.4196 5.8839 5.8839 7.3089 7.3089 7.7807 7.7807 7.8199 7.8199 15.0980 15.0980 19.5595 19.5595 21.4744 21.4744 k = 0.4155-0.2399 0.3392 ( 773 PWs) bands (ev): -5.2095 -5.2095 2.5224 2.5224 4.5362 4.5362 4.5956 4.5956 5.4314 5.4314 5.8880 5.8880 7.2492 7.2492 7.7382 7.7382 7.7761 7.7761 15.0873 15.0873 19.5432 19.5432 21.4858 21.4858 k = 0.4225-0.2440 0.3450 ( 781 PWs) bands (ev): -5.1872 -5.1872 2.5171 2.5171 4.5580 4.5580 4.6165 4.6165 5.4435 5.4435 5.8915 5.8915 7.1920 7.1920 7.6984 7.6984 7.7349 7.7349 15.0766 15.0766 19.5280 19.5280 21.4982 21.4982 k = 0.4296-0.2480 0.3507 ( 781 PWs) bands (ev): -5.1665 -5.1665 2.5124 2.5124 4.5786 4.5786 4.6362 4.6362 5.4561 5.4561 5.8954 5.8954 7.1375 7.1375 7.6614 7.6614 7.6966 7.6966 15.0663 15.0663 19.5139 19.5139 21.5112 21.5112 k = 0.4366-0.2521 0.3565 ( 781 PWs) bands (ev): -5.1476 -5.1476 2.5082 2.5082 4.5979 4.5979 4.6545 4.6545 5.4687 5.4687 5.8991 5.8991 7.0863 7.0863 7.6274 7.6274 7.6612 7.6612 15.0565 15.0565 19.5009 19.5009 21.5244 21.5244 k = 0.4437-0.2561 0.3622 ( 781 PWs) bands (ev): -5.1306 -5.1306 2.5046 2.5046 4.6156 4.6156 4.6713 4.6713 5.4812 5.4812 5.9028 5.9028 7.0386 7.0386 7.5966 7.5966 7.6289 7.6289 15.0474 15.0474 19.4892 19.4892 21.5373 21.5373 k = 0.4507-0.2602 0.3680 ( 781 PWs) bands (ev): -5.1155 -5.1155 2.5015 2.5015 4.6317 4.6317 4.6865 4.6865 5.4932 5.4932 5.9063 5.9063 6.9948 6.9948 7.5690 7.5690 7.6000 7.6000 15.0391 15.0391 19.4787 19.4787 21.5495 21.5495 k = 0.4577-0.2643 0.3737 ( 781 PWs) bands (ev): -5.1023 -5.1023 2.4989 2.4989 4.6460 4.6460 4.6999 4.6999 5.5045 5.5045 5.9095 5.9095 6.9556 6.9556 7.5448 7.5448 7.5745 7.5745 15.0316 15.0316 19.4696 19.4696 21.5608 21.5608 k = 0.4648-0.2683 0.3795 ( 785 PWs) bands (ev): -5.0911 -5.0911 2.4967 2.4967 4.6583 4.6583 4.7114 4.7114 5.5147 5.5147 5.9125 5.9125 6.9212 6.9212 7.5241 7.5241 7.5525 7.5525 15.0251 15.0251 19.4617 19.4617 21.5709 21.5709 k = 0.4718-0.2724 0.3852 ( 786 PWs) bands (ev): -5.0818 -5.0818 2.4950 2.4950 4.6686 4.6686 4.7210 4.7210 5.5235 5.5235 5.9151 5.9151 6.8923 6.8923 7.5071 7.5071 7.5344 7.5344 15.0198 15.0198 19.4553 19.4553 21.5794 21.5794 k = 0.4789-0.2765 0.3910 ( 786 PWs) bands (ev): -5.0746 -5.0746 2.4936 2.4936 4.6767 4.6767 4.7286 4.7286 5.5308 5.5308 5.9173 5.9173 6.8692 6.8692 7.4937 7.4937 7.5201 7.5201 15.0155 15.0155 19.4503 19.4503 21.5863 21.5863 k = 0.4859-0.2805 0.3967 ( 786 PWs) bands (ev): -5.0694 -5.0694 2.4927 2.4927 4.6826 4.6826 4.7340 4.7340 5.5361 5.5361 5.9189 5.9189 6.8524 6.8524 7.4842 7.4842 7.5098 7.5098 15.0124 15.0124 19.4467 19.4467 21.5913 21.5913 k = 0.4930-0.2846 0.4025 ( 786 PWs) bands (ev): -5.0663 -5.0663 2.4921 2.4921 4.6861 4.6861 4.7373 4.7373 5.5394 5.5394 5.9199 5.9199 6.8422 6.8422 7.4784 7.4784 7.5037 7.5037 15.0106 15.0106 19.4445 19.4445 21.5943 21.5943 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -5.0653 -5.0653 2.4919 2.4919 4.6873 4.6873 4.7383 4.7383 5.5405 5.5405 5.9203 5.9203 6.8387 6.8387 7.4764 7.4764 7.5015 7.5015 15.0099 15.0099 19.4438 19.4438 21.5953 21.5953 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -5.0653 -5.0653 2.4919 2.4919 4.6873 4.6873 4.7383 4.7383 5.5405 5.5405 5.9203 5.9203 6.8387 6.8387 7.4764 7.4764 7.5015 7.5015 15.0099 15.0099 19.4438 19.4438 21.5953 21.5953 k = 0.5000-0.2807 0.4139 ( 782 PWs) bands (ev): -5.0656 -5.0650 2.4923 2.4935 4.6871 4.6872 4.7342 4.7420 5.5381 5.5441 5.9179 5.9224 6.8280 6.8445 7.4683 7.4820 7.5025 7.5046 15.0124 15.0137 19.4450 19.4456 21.5945 21.5950 k = 0.5000-0.2726 0.4196 ( 782 PWs) bands (ev): -5.0658 -5.0647 2.4945 2.4967 4.6864 4.6866 4.7294 4.7448 5.5366 5.5485 5.9148 5.9238 6.8126 6.8446 7.4613 7.4793 7.5036 7.5166 15.0211 15.0237 19.4493 19.4505 21.5923 21.5933 k = 0.5000-0.2646 0.4253 ( 782 PWs) bands (ev): -5.0661 -5.0643 2.4984 2.5018 4.6852 4.6854 4.7239 4.7470 5.5360 5.5540 5.9110 5.9246 6.7932 6.8391 7.4555 7.4711 7.5052 7.5342 15.0360 15.0399 19.4566 19.4585 21.5889 21.5904 k = 0.5000-0.2566 0.4309 ( 782 PWs) bands (ev): -5.0663 -5.0640 2.5041 2.5087 4.6834 4.6837 4.7181 4.7486 5.5364 5.5604 5.9066 5.9248 6.7705 6.8283 7.4495 7.4594 7.5085 7.5549 15.0570 15.0622 19.4669 19.4694 21.5842 21.5862 k = 0.5000-0.2486 0.4366 ( 778 PWs) bands (ev): -5.0664 -5.0636 2.5116 2.5174 4.6809 4.6811 4.7122 4.7496 5.5379 5.5679 5.9016 5.9245 6.7453 6.8127 7.4415 7.4449 7.5148 7.5774 15.0841 15.0905 19.4802 19.4832 21.5782 21.5807 k = 0.5000-0.2406 0.4423 ( 778 PWs) bands (ev): -5.0666 -5.0632 2.5208 2.5278 4.6768 4.6779 4.7065 4.7500 5.5403 5.5761 5.8959 5.9235 6.7182 6.7929 7.4277 7.4306 7.5247 7.6011 15.1171 15.1246 19.4963 19.4998 21.5709 21.5740 k = 0.5000-0.2325 0.4479 ( 774 PWs) bands (ev): -5.0667 -5.0627 2.5318 2.5400 4.6709 4.6740 4.7015 4.7499 5.5437 5.5855 5.8895 5.9219 6.6898 6.7698 7.4081 7.4165 7.5378 7.6256 15.1558 15.1644 19.5152 19.5192 21.5625 21.5661 k = 0.5000-0.2245 0.4536 ( 774 PWs) bands (ev): -5.0668 -5.0623 2.5444 2.5539 4.6628 4.6690 4.6976 4.7494 5.5478 5.5957 5.8825 5.9197 6.6605 6.7439 7.3862 7.3994 7.5533 7.6504 15.2001 15.2096 19.5367 19.5412 21.5528 21.5569 k = 0.5000-0.2165 0.4593 ( 774 PWs) bands (ev): -5.0669 -5.0619 2.5588 2.5695 4.6526 4.6629 4.6946 4.7486 5.5527 5.6067 5.8748 5.9168 6.6310 6.7161 7.3619 7.3795 7.5707 7.6752 15.2497 15.2602 19.5607 19.5657 21.5419 21.5465 k = 0.5000-0.2085 0.4649 ( 766 PWs) bands (ev): -5.0669 -5.0614 2.5748 2.5869 4.6407 4.6556 4.6922 4.7477 5.5585 5.6188 5.8668 5.9134 6.6016 6.6871 7.3357 7.3573 7.5894 7.6999 15.3045 15.3157 19.5872 19.5925 21.5298 21.5350 k = 0.5000-0.2005 0.4706 ( 766 PWs) bands (ev): -5.0670 -5.0609 2.5924 2.6059 4.6272 4.6468 4.6902 4.7465 5.5647 5.6317 5.8582 5.9091 6.5726 6.6572 7.3075 7.3326 7.6088 7.7242 15.3642 15.3761 19.6159 19.6215 21.5165 21.5223 k = 0.5000-0.1925 0.4763 ( 766 PWs) bands (ev): -5.0670 -5.0604 2.6116 2.6264 4.6122 4.6364 4.6884 4.7452 5.5715 5.6453 5.8493 5.9042 6.5444 6.6271 7.2776 7.3060 7.6285 7.7479 15.4284 15.4409 19.6466 19.6525 21.5020 21.5085 k = 0.5000-0.1844 0.4820 ( 766 PWs) bands (ev): -5.0670 -5.0600 2.6322 2.6485 4.5957 4.6243 4.6868 4.7440 5.5785 5.6598 5.8404 5.8986 6.5172 6.5972 7.2460 7.2775 7.6483 7.7710 15.4970 15.5099 19.6793 19.6853 21.4865 21.4935 k = 0.5000-0.1764 0.4876 ( 766 PWs) bands (ev): -5.0670 -5.0595 2.6543 2.6721 4.5779 4.6104 4.6853 4.7427 5.5855 5.6751 5.8318 5.8923 6.4912 6.5678 7.2129 7.2474 7.6679 7.7933 15.5695 15.5828 19.7137 19.7198 21.4698 21.4775 k = 0.5000-0.1684 0.4933 ( 766 PWs) bands (ev): -5.0670 -5.0590 2.6778 2.6972 4.5587 4.5946 4.6838 4.7415 5.5921 5.6910 5.8240 5.8854 6.4667 6.5393 7.1786 7.2158 7.6871 7.8148 15.6456 15.6591 19.7496 19.7558 21.4521 21.4604 k = 0.5000-0.1604 0.4990 ( 766 PWs) bands (ev): -5.0670 -5.0585 2.7026 2.7237 4.5381 4.5770 4.6824 4.7404 5.5979 5.7077 5.8174 5.8780 6.4437 6.5120 7.1432 7.1829 7.7058 7.8353 15.7250 15.7386 19.7869 19.7931 21.4333 21.4424 k = 0.5000-0.1524 0.5046 ( 770 PWs) bands (ev): -5.0669 -5.0581 2.7286 2.7515 4.5162 4.5574 4.6810 4.7393 5.6024 5.7247 5.8127 5.8700 6.4221 6.4859 7.1069 7.1489 7.7239 7.8549 15.8071 15.8207 19.8254 19.8315 21.4136 21.4234 k = 0.5000-0.1443 0.5103 ( 770 PWs) bands (ev): -5.0669 -5.0576 2.7558 2.7805 4.4930 4.5359 4.6797 4.7383 5.6051 5.7421 5.8108 5.8621 6.4022 6.4616 7.0698 7.1140 7.7413 7.8736 15.8917 15.9052 19.8649 19.8707 21.3929 21.4034 k = 0.5000-0.1363 0.5160 ( 772 PWs) bands (ev): -5.0668 -5.0571 2.7841 2.8107 4.4685 4.5125 4.6783 4.7372 5.6055 5.7591 5.8119 5.8546 6.3839 6.4389 7.0321 7.0783 7.7579 7.8912 15.9782 15.9914 19.9051 19.9107 21.3713 21.3826 k = 0.5000-0.1283 0.5217 ( 772 PWs) bands (ev): -5.0668 -5.0567 2.8132 2.8419 4.4429 4.4873 4.6771 4.7364 5.6036 5.7748 5.8165 5.8487 6.3671 6.4180 6.9941 7.0421 7.7736 7.9078 16.0661 16.0788 19.9458 19.9511 21.3489 21.3611 k = 0.5000-0.1203 0.5273 ( 772 PWs) bands (ev): -5.0667 -5.0562 2.8432 2.8740 4.4161 4.4604 4.6759 4.7354 5.5995 5.7864 5.8248 5.8473 6.3518 6.3990 6.9558 7.0055 7.7885 7.9234 16.1548 16.1670 19.9870 19.9918 21.3257 21.3388 k = 0.5000-0.1123 0.5330 ( 772 PWs) bands (ev): -5.0666 -5.0558 2.8738 2.9069 4.3884 4.4320 4.6748 4.7347 5.5935 5.7905 5.8360 5.8538 6.3377 6.3818 6.9175 6.9687 7.8025 7.9379 16.2438 16.2554 20.0282 20.0325 21.3019 21.3159 k = 0.5000-0.1042 0.5387 ( 768 PWs) bands (ev): -5.0665 -5.0554 2.9049 2.9404 4.3599 4.4023 4.6738 4.7342 5.5863 5.7875 5.8501 5.8678 6.3250 6.3664 6.8795 6.9320 7.8155 7.9515 16.3325 16.3433 20.0694 20.0730 21.2776 21.2926 k = 0.5000-0.0962 0.5443 ( 768 PWs) bands (ev): -5.0664 -5.0550 2.9362 2.9742 4.3308 4.3715 4.6729 4.7335 5.5782 5.7807 5.8664 5.8860 6.3131 6.3528 6.8419 6.8955 7.8276 7.9639 16.4200 16.4299 20.1102 20.1131 21.2528 21.2688 k = 0.5000-0.0882 0.5500 ( 768 PWs) bands (ev): -5.0663 -5.0547 2.9674 3.0082 4.3014 4.3398 4.6719 4.7330 5.5698 5.7724 5.8847 5.9063 6.3022 6.3407 6.8050 6.8595 7.8387 7.9754 16.5056 16.5146 20.1504 20.1524 21.2277 21.2449 k = 0.5000-0.0802 0.5557 ( 768 PWs) bands (ev): -5.0663 -5.0543 2.9985 3.0420 4.2719 4.3077 4.6711 4.7324 5.5614 5.7636 5.9044 5.9275 6.2920 6.3303 6.7690 6.8241 7.8489 7.9858 16.5886 16.5965 20.1897 20.1908 21.2025 21.2209 k = 0.5000-0.0722 0.5613 ( 768 PWs) bands (ev): -5.0662 -5.0540 3.0289 3.0754 4.2427 4.2755 4.6703 4.7320 5.5533 5.7550 5.9254 5.9490 6.2823 6.3213 6.7342 6.7896 7.8581 7.9952 16.6680 16.6748 20.2279 20.2279 21.1775 21.1971 k = 0.5000-0.0642 0.5670 ( 764 PWs) bands (ev): -5.0661 -5.0537 3.0583 3.1080 4.2142 4.2438 4.6697 4.7316 5.5457 5.7468 5.9473 5.9706 6.2731 6.3138 6.7010 6.7565 7.8663 8.0036 16.7429 16.7486 20.2634 20.2645 21.1528 21.1738 k = 0.5000-0.0561 0.5727 ( 764 PWs) bands (ev): -5.0660 -5.0535 3.0863 3.1392 4.1869 4.2131 4.6690 4.7312 5.5388 5.7393 5.9695 5.9914 6.2640 6.3076 6.6697 6.7250 7.8736 8.0110 16.8123 16.8168 20.2968 20.2991 21.1289 21.1512 k = 0.5000-0.0481 0.5784 ( 764 PWs) bands (ev): -5.0660 -5.0533 3.1124 3.1684 4.1613 4.1840 4.6685 4.7309 5.5325 5.7324 5.9919 6.0113 6.2549 6.3028 6.6410 6.6957 7.8798 8.0173 16.8752 16.8786 20.3276 20.3313 21.1061 21.1299 k = 0.5000-0.0401 0.5840 ( 764 PWs) bands (ev): -5.0659 -5.0531 3.1360 3.1951 4.1381 4.1573 4.6680 4.7306 5.5272 5.7265 6.0139 6.0296 6.2457 6.2990 6.6152 6.6689 7.8851 8.0227 16.9306 16.9329 20.3553 20.3604 21.0851 21.1104 k = 0.5000-0.0321 0.5897 ( 764 PWs) bands (ev): -5.0659 -5.0529 3.1565 3.2186 4.1178 4.1338 4.6676 4.7304 5.5228 5.7216 6.0348 6.0458 6.2364 6.2964 6.5929 6.6454 7.8895 8.0271 16.9775 16.9789 20.3794 20.3857 21.0663 21.0931 k = 0.5000-0.0241 0.5954 ( 772 PWs) bands (ev): -5.0659 -5.0528 3.1733 3.2379 4.1011 4.1142 4.6672 4.7300 5.5193 5.7177 6.0538 6.0593 6.2271 6.2945 6.5746 6.6257 7.8928 8.0305 17.0150 17.0156 20.3990 20.4066 21.0506 21.0786 k = 0.5000-0.0160 0.6010 ( 772 PWs) bands (ev): -5.0658 -5.0527 3.1858 3.2525 4.0887 4.0996 4.6669 4.7299 5.5168 5.7149 6.0695 6.0697 6.2188 6.2935 6.5612 6.6110 7.8952 8.0330 17.0424 17.0424 20.4137 20.4222 21.0387 21.0678 k = 0.5000-0.0080 0.6067 ( 772 PWs) bands (ev): -5.0658 -5.0527 3.1935 3.2615 4.0810 4.0904 4.6668 4.7298 5.5153 5.7132 6.0759 6.0806 6.2127 6.2930 6.5529 6.6018 7.8967 8.0344 17.0588 17.0591 20.4227 20.4320 21.0312 21.0610 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -5.0658 -5.0527 3.1962 3.2645 4.0784 4.0873 4.6668 4.7298 5.5148 5.7126 6.0780 6.0846 6.2103 6.2929 6.5501 6.5987 7.8972 8.0349 17.0643 17.0648 20.4258 20.4353 21.0287 21.0587 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -5.0658 -5.0527 3.1962 3.2645 4.0784 4.0873 4.6668 4.7298 5.5148 5.7126 6.0780 6.0846 6.2103 6.2929 6.5501 6.5987 7.8972 8.0349 17.0643 17.0648 20.4258 20.4353 21.0287 21.0587 k = 0.4952 0.0083 0.6124 ( 772 PWs) bands (ev): -5.0660 -5.0529 3.1951 3.2632 4.0786 4.0887 4.6671 4.7299 5.5140 5.7114 6.0658 6.0807 6.2207 6.2986 6.5515 6.6020 7.8978 8.0355 17.0620 17.0627 20.4223 20.4316 21.0256 21.0557 k = 0.4904 0.0167 0.6124 ( 772 PWs) bands (ev): -5.0666 -5.0535 3.1919 3.2594 4.0795 4.0923 4.6680 4.7304 5.5113 5.7078 6.0429 6.0635 6.2453 6.3126 6.5550 6.6131 7.8998 8.0374 17.0553 17.0564 20.4112 20.4197 21.0183 21.0488 k = 0.4856 0.0250 0.6124 ( 772 PWs) bands (ev): -5.0676 -5.0545 3.1867 3.2531 4.0819 4.0980 4.6695 4.7310 5.5068 5.7015 6.0153 6.0403 6.2726 6.3313 6.5612 6.6332 7.9030 8.0406 17.0443 17.0460 20.3915 20.3987 21.0103 21.0407 k = 0.4808 0.0333 0.6124 ( 769 PWs) bands (ev): -5.0688 -5.0558 3.1797 3.2446 4.0859 4.1056 4.6714 4.7319 5.5003 5.6924 5.9859 6.0159 6.2954 6.3527 6.5721 6.6617 7.9076 8.0450 17.0291 17.0315 20.3632 20.3684 21.0044 21.0343 k = 0.4760 0.0416 0.6124 ( 766 PWs) bands (ev): -5.0703 -5.0573 3.1711 3.2342 4.0916 4.1148 4.6738 4.7329 5.4917 5.6806 5.9561 5.9924 6.3111 6.3735 6.5901 6.6971 7.9135 8.0506 17.0099 17.0130 20.3269 20.3298 21.0023 21.0312 k = 0.4712 0.0500 0.6124 ( 766 PWs) bands (ev): -5.0720 -5.0591 3.1610 3.2221 4.0992 4.1256 4.6763 4.7338 5.4810 5.6660 5.9271 5.9708 6.3214 6.3899 6.6167 6.7378 7.9206 8.0572 16.9869 16.9907 20.2837 20.2845 21.0045 21.0319 k = 0.4663 0.0583 0.6124 ( 769 PWs) bands (ev): -5.0739 -5.0611 3.1497 3.2085 4.1084 4.1379 4.6789 4.7346 5.4682 5.6490 5.8994 5.9512 6.3280 6.4003 6.6513 6.7821 7.9290 8.0650 16.9604 16.9649 20.2340 20.2360 21.0105 21.0364 k = 0.4615 0.0666 0.6124 ( 768 PWs) bands (ev): -5.0760 -5.0632 3.1375 3.1940 4.1194 4.1516 4.6815 4.7351 5.4534 5.6299 5.8735 5.9340 6.3323 6.4056 6.6920 6.8287 7.9387 8.0738 16.9307 16.9360 20.1808 20.1848 21.0196 21.0440 k = 0.4567 0.0749 0.6124 ( 768 PWs) bands (ev): -5.0781 -5.0655 3.1246 3.1787 4.1318 4.1667 4.6839 4.7351 5.4368 5.6091 5.8495 5.9187 6.3350 6.4073 6.7362 6.8764 7.9498 8.0837 16.8981 16.9041 20.1264 20.1321 21.0310 21.0541 k = 0.4519 0.0833 0.6124 ( 768 PWs) bands (ev): -5.0804 -5.0678 3.1113 3.1629 4.1457 4.1829 4.6859 4.7346 5.4187 5.5873 5.8276 5.9052 6.3367 6.4066 6.7822 6.9242 7.9622 8.0944 16.8631 16.8699 20.0720 20.0792 21.0441 21.0658 k = 0.4471 0.0916 0.6124 ( 768 PWs) bands (ev): -5.0826 -5.0702 3.0977 3.1468 4.1609 4.2002 4.6873 4.7333 5.3993 5.5650 5.8078 5.8932 6.3377 6.4044 6.8284 6.9712 7.9760 8.1060 16.8262 16.8336 20.0189 20.0272 21.0580 21.0787 k = 0.4423 0.0999 0.6124 ( 766 PWs) bands (ev): -5.0849 -5.0726 3.0841 3.1308 4.1773 4.2184 4.6881 4.7312 5.3791 5.5426 5.7899 5.8825 6.3383 6.4015 6.8738 7.0169 7.9910 8.1182 16.7879 16.7958 19.9678 19.9770 21.0724 21.0922 k = 0.4375 0.1083 0.6124 ( 766 PWs) bands (ev): -5.0872 -5.0749 3.0706 3.1151 4.1947 4.2375 4.6878 4.7281 5.3584 5.5206 5.7739 5.8728 6.3386 6.3980 6.9178 7.0605 8.0072 8.1310 16.7487 16.7570 19.9193 19.9292 21.0868 21.1059 k = 0.4327 0.1166 0.6124 ( 770 PWs) bands (ev): -5.0894 -5.0773 3.0574 3.0997 4.2129 4.2573 4.6864 4.7238 5.3377 5.4993 5.7595 5.8640 6.3386 6.3942 6.9596 7.1015 8.0245 8.1441 16.7093 16.7179 19.8738 19.8842 21.1010 21.1194 k = 0.4279 0.1249 0.6124 ( 770 PWs) bands (ev): -5.0915 -5.0795 3.0449 3.0851 4.2319 4.2777 4.6837 4.7185 5.3174 5.4792 5.7468 5.8560 6.3386 6.3905 6.9990 7.1396 8.0427 8.1574 16.6702 16.6789 19.8317 19.8425 21.1146 21.1325 k = 0.4231 0.1332 0.6124 ( 770 PWs) bands (ev): -5.0935 -5.0816 3.0329 3.0712 4.2516 4.2986 4.6796 4.7119 5.2979 5.4605 5.7354 5.8486 6.3386 6.3869 7.0354 7.1746 8.0615 8.1706 16.6320 16.6407 19.7930 19.8042 21.1275 21.1449 k = 0.4183 0.1416 0.6124 ( 772 PWs) bands (ev): -5.0954 -5.0836 3.0218 3.0583 4.2716 4.3197 4.6739 4.7041 5.2795 5.4434 5.7252 5.8419 6.3385 6.3834 7.0688 7.2061 8.0807 8.1835 16.5954 16.6038 19.7580 19.7694 21.1396 21.1566 k = 0.4135 0.1499 0.6124 ( 772 PWs) bands (ev): -5.0972 -5.0854 3.0115 3.0465 4.2918 4.3410 4.6666 4.6951 5.2626 5.4280 5.7163 5.8358 6.3386 6.3801 7.0989 7.2341 8.0998 8.1957 16.5609 16.5690 19.7268 19.7383 21.1506 21.1673 k = 0.4087 0.1582 0.6124 ( 770 PWs) bands (ev): -5.0987 -5.0871 3.0023 3.0358 4.3121 4.3622 4.6580 4.6852 5.2473 5.4144 5.7086 5.8305 6.3386 6.3771 7.1256 7.2587 8.1185 8.2070 16.5290 16.5366 19.6993 19.7109 21.1605 21.1770 k = 0.4038 0.1665 0.6124 ( 770 PWs) bands (ev): -5.1001 -5.0886 2.9941 3.0263 4.3319 4.3830 4.6480 4.6743 5.2339 5.4027 5.7020 5.8257 6.3387 6.3744 7.1488 7.2796 8.1363 8.2171 16.5004 16.5073 19.6755 19.6873 21.1693 21.1855 k = 0.3990 0.1749 0.6124 ( 774 PWs) bands (ev): -5.1014 -5.0899 2.9870 3.0181 4.3510 4.4029 4.6373 4.6627 5.2224 5.3929 5.6962 5.8215 6.3388 6.3720 7.1684 7.2971 8.1527 8.2257 16.4753 16.4816 19.6554 19.6673 21.1767 21.1928 k = 0.3942 0.1832 0.6124 ( 772 PWs) bands (ev): -5.1024 -5.0909 2.9813 3.0115 4.3688 4.4216 4.6264 4.6508 5.2130 5.3849 5.6917 5.8181 6.3390 6.3700 7.1844 7.3113 8.1672 8.2327 16.4544 16.4598 19.6390 19.6510 21.1829 21.1988 k = 0.3894 0.1915 0.6124 ( 774 PWs) bands (ev): -5.1032 -5.0918 2.9767 3.0062 4.3846 4.4382 4.6161 4.6392 5.2057 5.3788 5.6881 5.8154 6.3391 6.3684 7.1969 7.3222 8.1793 8.2380 16.4378 16.4423 19.6264 19.6383 21.1878 21.2036 k = 0.3846 0.1999 0.6124 ( 772 PWs) bands (ev): -5.1037 -5.0924 2.9734 3.0024 4.3973 4.4517 4.6077 4.6290 5.2006 5.3745 5.6855 5.8135 6.3393 6.3673 7.2058 7.3299 8.1885 8.2416 16.4259 16.4295 19.6173 19.6293 21.1913 21.2070 k = 0.3798 0.2082 0.6124 ( 772 PWs) bands (ev): -5.1041 -5.0927 2.9714 3.0001 4.4057 4.4607 4.6021 4.6218 5.1975 5.3719 5.6840 5.8123 6.3394 6.3665 7.2112 7.3345 8.1943 8.2437 16.4187 16.4217 19.6119 19.6239 21.1934 21.2090 k = 0.3750 0.2165 0.6124 ( 762 PWs) bands (ev): -5.1042 -5.0928 2.9708 2.9994 4.4089 4.4641 4.6002 4.6191 5.1966 5.3712 5.6838 5.8122 6.3396 6.3664 7.2130 7.3361 8.1964 8.2444 16.4163 16.4191 19.6102 19.6222 21.1942 21.2098 k = 0.3750 0.2165 0.6124 ( 762 PWs) bands (ev): -5.1042 -5.0928 2.9708 2.9994 4.4089 4.4641 4.6002 4.6191 5.1966 5.3712 5.6838 5.8122 6.3396 6.3664 7.2130 7.3361 8.1964 8.2444 16.4163 16.4191 19.6102 19.6222 21.1942 21.2098 k = 0.3701 0.2137 0.6043 ( 774 PWs) bands (ev): -5.1103 -5.0988 3.0021 3.0313 4.3915 4.4476 4.5573 4.5808 5.1780 5.3620 5.6751 5.8038 6.3573 6.3930 7.2057 7.3247 8.2445 8.2928 16.4986 16.5028 19.5695 19.5821 21.1633 21.1794 k = 0.3651 0.2108 0.5963 ( 774 PWs) bands (ev): -5.1171 -5.1054 3.0335 3.0633 4.3743 4.4312 4.5085 4.5347 5.1686 5.3590 5.6671 5.7958 6.3775 6.4217 7.1992 7.3139 8.2934 8.3419 16.5815 16.5871 19.5228 19.5360 21.1318 21.1483 k = 0.3602 0.2080 0.5882 ( 774 PWs) bands (ev): -5.1246 -5.1128 3.0648 3.0951 4.3569 4.4146 4.4548 4.4820 5.1675 5.3619 5.6595 5.7879 6.3996 6.4520 7.1939 7.3039 8.3430 8.3917 16.6647 16.6718 19.4701 19.4840 21.0998 21.1166 k = 0.3553 0.2051 0.5801 ( 774 PWs) bands (ev): -5.1330 -5.1210 3.0959 3.1265 4.3392 4.3957 4.3994 4.4244 5.1736 5.3701 5.6523 5.7802 6.4232 6.4837 7.1898 7.2948 8.3931 8.4419 16.7484 16.7569 19.4118 19.4264 21.0674 21.0843 k = 0.3503 0.2023 0.5721 ( 778 PWs) bands (ev): -5.1421 -5.1301 3.1267 3.1575 4.3201 4.3362 4.3646 4.3816 5.1856 5.3827 5.6452 5.7725 6.4478 6.5163 7.1872 7.2868 8.4436 8.4925 16.8322 16.8423 19.3485 19.3638 21.0346 21.0518 k = 0.3454 0.1994 0.5640 ( 778 PWs) bands (ev): -5.1521 -5.1401 3.1571 3.1879 4.2735 4.2873 4.3162 4.3651 5.2025 5.3994 5.6387 5.7651 6.4734 6.5499 7.1865 7.2802 8.4946 8.5436 16.9161 16.9277 19.2805 19.2965 21.0016 21.0190 k = 0.3405 0.1966 0.5560 ( 778 PWs) bands (ev): -5.1631 -5.1510 3.1869 3.2175 4.2097 4.2276 4.2937 4.3485 5.2235 5.4192 5.6326 5.7579 6.4997 6.5841 7.1879 7.2752 8.5458 8.5949 17.0000 17.0130 19.2085 19.2251 20.9687 20.9862 k = 0.3355 0.1937 0.5479 ( 776 PWs) bands (ev): -5.1749 -5.1628 3.2161 3.2463 4.1456 4.1629 4.2759 4.3320 5.2477 5.4414 5.6273 5.7510 6.5264 6.6187 7.1918 7.2723 8.5974 8.6464 17.0834 17.0979 19.1332 19.1505 20.9359 20.9535 k = 0.3306 0.1909 0.5399 ( 776 PWs) bands (ev): -5.1878 -5.1757 3.2444 3.2740 4.0817 4.0979 4.2590 4.3156 5.2742 5.4647 5.6231 5.7445 6.5535 6.6535 7.1983 7.2716 8.6491 8.6982 17.1660 17.1819 19.0553 19.0732 20.9033 20.9211 k = 0.3257 0.1880 0.5318 ( 782 PWs) bands (ev): -5.2017 -5.1896 3.2717 3.3005 4.0188 4.0337 4.2425 4.2993 5.3024 5.4878 5.6208 5.7384 6.5806 6.6881 7.2078 7.2736 8.7009 8.7500 17.2472 17.2645 18.9759 18.9943 20.8711 20.8889 k = 0.3207 0.1852 0.5237 ( 786 PWs) bands (ev): -5.2165 -5.2046 3.2977 3.3256 3.9574 3.9712 4.2261 4.2829 5.3320 5.5091 5.6216 5.7329 6.6081 6.7226 7.2206 7.2787 8.7528 8.8018 17.3263 17.3446 18.8964 18.9151 20.8393 20.8573 k = 0.3158 0.1823 0.5157 ( 784 PWs) bands (ev): -5.2325 -5.2207 3.3223 3.3488 3.8980 3.9109 4.2101 4.2668 5.3624 5.5261 5.6278 5.7282 6.6361 6.7568 7.2369 7.2873 8.8047 8.8536 17.4018 17.4211 18.8185 18.8372 20.8082 20.8262 k = 0.3109 0.1795 0.5076 ( 784 PWs) bands (ev): -5.2495 -5.2378 3.3450 3.3699 3.8413 3.8536 4.1943 4.2508 5.3927 5.5365 5.6406 5.7245 6.6646 6.7905 7.2568 7.2999 8.8565 8.9053 17.4720 17.4919 18.7444 18.7628 20.7778 20.7959 k = 0.3059 0.1766 0.4996 ( 780 PWs) bands (ev): -5.2676 -5.2561 3.3653 3.3881 3.7881 3.8001 4.1787 4.2349 5.4224 5.5410 5.6593 5.7220 6.6941 6.8237 7.2805 7.3167 8.9082 8.9569 17.5341 17.5540 18.6776 18.6950 20.7482 20.7664 k = 0.3010 0.1738 0.4915 ( 776 PWs) bands (ev): -5.2868 -5.2755 3.3823 3.4027 3.7394 3.7514 4.1635 4.2193 5.4505 5.5413 5.6813 5.7212 6.7247 6.8564 7.3078 7.3379 8.9597 9.0083 17.5844 17.6032 18.6226 18.6379 20.7195 20.7378 k = 0.2961 0.1709 0.4835 ( 776 PWs) bands (ev): -5.3072 -5.2960 3.3946 3.4119 3.6968 3.7093 4.1483 4.2037 5.4764 5.5391 5.7043 5.7220 6.7571 6.8888 7.3389 7.3637 9.0110 9.0595 17.6177 17.6341 18.5849 18.5968 20.6918 20.7102 k = 0.2911 0.1681 0.4754 ( 776 PWs) bands (ev): -5.3286 -5.3177 3.4002 3.4139 3.6621 3.6758 4.1333 4.1882 5.4992 5.5357 5.7251 5.7267 6.7915 6.9213 7.3735 7.3940 9.0620 9.1103 17.6292 17.6418 18.5700 18.5771 20.6653 20.6838 k = 0.2862 0.1652 0.4673 ( 776 PWs) bands (ev): -5.3512 -5.3405 3.3971 3.4070 3.6378 3.6527 4.1185 4.1728 5.5184 5.5316 5.7306 5.7476 6.8284 6.9543 7.4116 7.4288 9.1126 9.1607 17.6157 17.6236 18.5807 18.5819 20.6400 20.6586 k = 0.2812 0.1624 0.4593 ( 776 PWs) bands (ev): -5.3749 -5.3645 3.3844 3.3909 3.6247 3.6403 4.1040 4.1576 5.5272 5.5335 5.7386 5.7663 6.8683 6.9884 7.4530 7.4679 9.1628 9.2108 17.5777 17.5806 18.6113 18.6160 20.6160 20.6347 k = 0.2763 0.1595 0.4512 ( 776 PWs) bands (ev): -5.3997 -5.3895 3.3636 3.3675 3.6214 3.6368 4.0896 4.1425 5.5227 5.5447 5.7486 5.7825 6.9113 7.0239 7.4976 7.5109 9.2126 9.2603 17.5173 17.5186 18.6618 18.6719 20.5935 20.6123 k = 0.2714 0.1567 0.4432 ( 776 PWs) bands (ev): -5.4256 -5.4157 3.3374 3.3396 3.6251 3.6395 4.0754 4.1275 5.5183 5.5524 5.7598 5.7958 6.9575 7.0615 7.5452 7.5576 9.2619 9.3094 17.4387 17.4434 18.7288 18.7435 20.5725 20.5915 k = 0.2664 0.1538 0.4351 ( 784 PWs) bands (ev): -5.4525 -5.4429 3.3088 3.3097 3.6329 3.6456 4.0613 4.1124 5.5138 5.5570 5.7715 5.8062 7.0070 7.1014 7.5958 7.6077 9.3106 9.3579 17.3489 17.3563 18.8083 18.8268 20.5531 20.5722 k = 0.2615 0.1510 0.4270 ( 784 PWs) bands (ev): -5.4805 -5.4712 3.2796 3.2797 3.6431 3.6538 4.0475 4.0977 5.5096 5.5597 5.7828 5.8138 7.0598 7.1441 7.6491 7.6610 9.3588 9.4058 17.2512 17.2606 18.8970 18.9187 20.5356 20.5547 k = 0.2566 0.1481 0.4190 ( 784 PWs) bands (ev): -5.5094 -5.5005 3.2505 3.2512 3.6544 3.6629 4.0339 4.0831 5.5058 5.5608 5.7931 5.8187 7.1157 7.1897 7.7051 7.7172 9.4063 9.4530 17.1477 17.1587 18.9927 19.0171 20.5199 20.5391 k = 0.2516 0.1453 0.4109 ( 784 PWs) bands (ev): -5.5394 -5.5308 3.2229 3.2241 3.6661 3.6722 4.0206 4.0686 5.5022 5.5608 5.8020 5.8212 7.1745 7.2382 7.7637 7.7762 9.4532 9.4995 17.0402 17.0523 19.0939 19.1206 20.5062 20.5254 k = 0.2467 0.1424 0.4029 ( 784 PWs) bands (ev): -5.5702 -5.5619 3.1971 3.1989 3.6776 3.6813 4.0074 4.0542 5.4989 5.5602 5.8091 5.8213 7.2358 7.2896 7.8249 7.8378 9.4993 9.5454 16.9295 16.9425 19.1995 19.2282 20.4946 20.5138 k = 0.2418 0.1396 0.3948 ( 784 PWs) bands (ev): -5.6019 -5.5940 3.1735 3.1757 3.6887 3.6898 3.9945 4.0400 5.4959 5.5590 5.8144 5.8195 7.2994 7.3439 7.8884 7.9017 9.5447 9.5904 16.8166 16.8302 19.3087 19.3391 20.4852 20.5044 k = 0.2368 0.1367 0.3868 ( 788 PWs) bands (ev): -5.6345 -5.6269 3.1522 3.1548 3.6977 3.6992 3.9817 4.0258 5.4931 5.5575 5.8158 5.8177 7.3650 7.4008 7.9543 7.9679 9.5893 9.6346 16.7020 16.7161 19.4209 19.4529 20.4781 20.4972 k = 0.2319 0.1339 0.3787 ( 784 PWs) bands (ev): -5.6677 -5.6605 3.1333 3.1363 3.7049 3.7090 3.9692 4.0118 5.4911 5.5562 5.8109 5.8195 7.4323 7.4601 8.0225 8.0362 9.6331 9.6781 16.5861 16.6006 19.5357 19.5691 20.4735 20.4924 k = 0.2270 0.1310 0.3706 ( 784 PWs) bands (ev): -5.7017 -5.6948 3.1167 3.1201 3.7111 3.7179 3.9570 3.9979 5.4892 5.5548 5.8047 5.8197 7.5011 7.5218 8.0927 8.1065 9.6761 9.7206 16.4693 16.4841 19.6528 19.6872 20.4716 20.4901 k = 0.2220 0.1282 0.3626 ( 784 PWs) bands (ev): -5.7364 -5.7298 3.1025 3.1063 3.7165 3.7259 3.9449 3.9841 5.4878 5.5534 5.7975 5.8184 7.5711 7.5854 8.1650 8.1786 9.7181 9.7622 16.3520 16.3669 19.7718 19.8071 20.4725 20.4904 k = 0.2171 0.1253 0.3545 ( 784 PWs) bands (ev): -5.7716 -5.7654 3.0908 3.0949 3.7208 3.7330 3.9331 3.9704 5.4867 5.5522 5.7895 5.8159 7.6420 7.6508 8.2391 8.2525 9.7593 9.8029 16.2342 16.2492 19.8926 19.9281 20.4765 20.4935 k = 0.2122 0.1225 0.3465 ( 784 PWs) bands (ev): -5.8074 -5.8015 3.0813 3.0857 3.7241 3.7390 3.9215 3.9569 5.4861 5.5512 5.7810 5.8123 7.7138 7.7179 8.3150 8.3278 9.7996 9.8427 16.1162 16.1313 20.0147 20.0499 20.4841 20.4993 k = 0.2072 0.1196 0.3384 ( 788 PWs) bands (ev): -5.8436 -5.8380 3.0741 3.0788 3.7264 3.7439 3.9101 3.9435 5.4857 5.5503 5.7721 5.8077 7.7863 7.7863 8.3923 8.4045 9.8388 9.8814 15.9982 16.0132 20.1380 20.1713 20.4960 20.5081 k = 0.2023 0.1168 0.3304 ( 788 PWs) bands (ev): -5.8801 -5.8749 3.0692 3.0741 3.7276 3.7479 3.8990 3.9303 5.4859 5.5498 5.7630 5.8025 7.8560 7.8595 8.4711 8.4824 9.8772 9.9192 15.8803 15.8953 20.2620 20.2899 20.5147 20.5203 k = 0.1974 0.1140 0.3223 ( 789 PWs) bands (ev): -5.9170 -5.9121 3.0664 3.0716 3.7278 3.7507 3.8881 3.9172 5.4865 5.5496 5.7537 5.7966 7.9268 7.9331 8.5509 8.5613 9.9145 9.9560 15.7627 15.7775 20.3858 20.3980 20.5365 20.5478 k = 0.1924 0.1111 0.3142 ( 785 PWs) bands (ev): -5.9541 -5.9495 3.0658 3.0712 3.7271 3.7525 3.8776 3.9043 5.4876 5.5499 5.7446 5.7905 7.9986 8.0073 8.6316 8.6411 9.9509 9.9918 15.6454 15.6601 20.4753 20.5033 20.5627 20.6154 k = 0.1875 0.1083 0.3062 ( 785 PWs) bands (ev): -5.9913 -5.9870 3.0671 3.0727 3.7253 3.7532 3.8672 3.8917 5.4890 5.5503 5.7356 5.7839 8.0714 8.0818 8.7130 8.7214 9.9862 10.0265 15.5286 15.5430 20.5192 20.5634 20.6499 20.7199 k = 0.1826 0.1054 0.2981 ( 785 PWs) bands (ev): -6.0286 -6.0247 3.0703 3.0761 3.7226 3.7529 3.8570 3.8792 5.4908 5.5510 5.7267 5.7772 8.1449 8.1568 8.7949 8.8020 10.0205 10.0601 15.4123 15.4265 20.5519 20.5917 20.7723 20.8389 k = 0.1776 0.1026 0.2901 ( 789 PWs) bands (ev): -6.0660 -6.0623 3.0752 3.0812 3.7190 3.7514 3.8471 3.8669 5.4930 5.5520 5.7180 5.7703 8.2190 8.2321 8.8769 8.8829 10.0538 10.0927 15.2966 15.3106 20.5833 20.6204 20.8974 20.9622 k = 0.1727 0.0997 0.2820 ( 789 PWs) bands (ev): -6.1032 -6.0998 3.0820 3.0880 3.7145 3.7490 3.8373 3.8550 5.4955 5.5533 5.7098 5.7634 8.2940 8.3079 8.9589 8.9637 10.0861 10.1243 15.1817 15.1953 20.6164 20.6518 21.0226 21.0868 k = 0.1678 0.0969 0.2740 ( 791 PWs) bands (ev): -6.1404 -6.1372 3.0903 3.0965 3.7093 3.7455 3.8276 3.8432 5.4984 5.5549 5.7019 5.7566 8.3695 8.3839 9.0406 9.0442 10.1173 10.1548 15.0675 15.0808 20.6520 20.6865 21.1471 21.2113 k = 0.1628 0.0940 0.2659 ( 791 PWs) bands (ev): -6.1772 -6.1743 3.1001 3.1064 3.7035 3.7411 3.8181 3.8318 5.5016 5.5569 5.6944 5.7499 8.4456 8.4605 9.1219 9.1243 10.1475 10.1841 14.9542 14.9672 20.6906 20.7246 21.2704 21.3350 k = 0.1579 0.0912 0.2578 ( 791 PWs) bands (ev): -6.2138 -6.2112 3.1113 3.1177 3.6971 3.7358 3.8086 3.8206 5.5052 5.5591 5.6874 5.7434 8.5223 8.5374 9.2025 9.2037 10.1766 10.2125 14.8418 14.8544 20.7325 20.7662 21.3922 21.4573 k = 0.1530 0.0883 0.2498 ( 787 PWs) bands (ev): -6.2501 -6.2476 3.1240 3.1304 3.6902 3.7298 3.7992 3.8097 5.5091 5.5616 5.6809 5.7370 8.5996 8.6147 9.2821 9.2822 10.2047 10.2397 14.7304 14.7426 20.7778 20.8113 21.5118 21.5775 k = 0.1480 0.0855 0.2417 ( 787 PWs) bands (ev): -6.2859 -6.2837 3.1376 3.1440 3.6829 3.7229 3.7898 3.7990 5.5132 5.5643 5.6748 5.7309 8.6772 8.6923 9.3597 9.3606 10.2318 10.2659 14.6201 14.6319 20.8266 20.8600 21.6288 21.6952 k = 0.1431 0.0826 0.2337 ( 787 PWs) bands (ev): -6.3212 -6.3192 3.1523 3.1588 3.6753 3.7154 3.7804 3.7885 5.5176 5.5672 5.6693 5.7250 8.7553 8.7703 9.4358 9.4377 10.2578 10.2910 14.5108 14.5222 20.8788 20.9122 21.7428 21.8097 k = 0.1382 0.0798 0.2256 ( 781 PWs) bands (ev): -6.3559 -6.3541 3.1679 3.1743 3.6675 3.7075 3.7711 3.7784 5.5223 5.5704 5.6643 5.7195 8.8337 8.8485 9.5106 9.5135 10.2830 10.3153 14.4026 14.4136 20.9345 20.9679 21.8530 21.9205 k = 0.1332 0.0769 0.2176 ( 781 PWs) bands (ev): -6.3900 -6.3884 3.1843 3.1907 3.6595 3.6990 3.7617 3.7682 5.5271 5.5738 5.6597 5.7142 8.9124 8.9270 9.5837 9.5874 10.3070 10.3383 14.2957 14.3062 20.9936 21.0271 21.9591 22.0270 k = 0.1283 0.0741 0.2095 ( 777 PWs) bands (ev): -6.4235 -6.4220 3.2014 3.2078 3.6514 3.6903 3.7524 3.7583 5.5322 5.5773 5.6556 5.7092 8.9915 9.0057 9.6550 9.6595 10.3301 10.3604 14.1901 14.2001 21.0561 21.0897 22.0604 22.1286 k = 0.1234 0.0712 0.2014 ( 775 PWs) bands (ev): -6.4561 -6.4548 3.2191 3.2255 3.6433 3.6813 3.7430 3.7485 5.5374 5.5810 5.6519 5.7045 9.0707 9.0846 9.7244 9.7296 10.3521 10.3813 14.0858 14.0953 21.1219 21.1555 22.1564 22.2246 k = 0.1184 0.0684 0.1934 ( 783 PWs) bands (ev): -6.4880 -6.4868 3.2371 3.2435 3.6349 3.6720 3.7336 3.7386 5.5426 5.5846 5.6484 5.6998 9.1500 9.1636 9.7916 9.7974 10.3730 10.4012 13.9828 13.9918 21.1908 21.2245 22.2464 22.3146 k = 0.1135 0.0655 0.1853 ( 783 PWs) bands (ev): -6.5190 -6.5179 3.2555 3.2619 3.6268 3.6627 3.7243 3.7290 5.5480 5.5884 5.6456 5.6956 9.2295 9.2426 9.8566 9.8631 10.3931 10.4202 13.8812 13.8897 21.2628 21.2965 22.3301 22.3980 k = 0.1086 0.0627 0.1773 ( 783 PWs) bands (ev): -6.5490 -6.5481 3.2742 3.2804 3.6187 3.6534 3.7151 3.7196 5.5535 5.5923 5.6432 5.6917 9.3089 9.3217 9.9194 9.9263 10.4122 10.4381 13.7812 13.7892 21.3376 21.3714 22.4070 22.4743 k = 0.1036 0.0598 0.1692 ( 783 PWs) bands (ev): -6.5781 -6.5773 3.2929 3.2991 3.6108 3.6442 3.7062 3.7103 5.5591 5.5963 5.6411 5.6880 9.3882 9.4006 9.9797 9.9870 10.4304 10.4551 13.6827 13.6902 21.4150 21.4488 22.4766 22.5432 k = 0.0987 0.0570 0.1612 ( 783 PWs) bands (ev): -6.6062 -6.6055 3.3116 3.3177 3.6031 3.6350 3.6974 3.7012 5.5647 5.6002 5.6394 5.6846 9.4673 9.4793 10.0374 10.0451 10.4476 10.4712 13.5858 13.5928 21.4948 21.5285 22.5389 22.6043 k = 0.0938 0.0541 0.1531 ( 783 PWs) bands (ev): -6.6332 -6.6326 3.3302 3.3361 3.5955 3.6260 3.6888 3.6924 5.5702 5.6041 5.6380 5.6813 9.5461 9.5577 10.0926 10.1006 10.4640 10.4863 13.4907 13.4971 21.5766 21.6101 22.5936 22.6577 k = 0.0888 0.0513 0.1450 ( 783 PWs) bands (ev): -6.6590 -6.6585 3.3485 3.3543 3.5882 3.6172 3.6805 3.6839 5.5757 5.6079 5.6369 5.6783 9.6244 9.6356 10.1450 10.1533 10.4795 10.5004 13.3973 13.4031 21.6602 21.6934 22.6407 22.7032 k = 0.0839 0.0484 0.1370 ( 775 PWs) bands (ev): -6.6838 -6.6833 3.3666 3.3723 3.5812 3.6088 3.6727 3.6758 5.5813 5.6119 5.6362 5.6757 9.7022 9.7130 10.1948 10.2033 10.4942 10.5138 13.3058 13.3111 21.7449 21.7779 22.6804 22.7410 k = 0.0789 0.0456 0.1289 ( 775 PWs) bands (ev): -6.7073 -6.7069 3.3840 3.3895 3.5745 3.6005 3.6652 3.6680 5.5867 5.6155 5.6356 5.6730 9.7792 9.7895 10.2417 10.2504 10.5080 10.5262 13.2163 13.2211 21.8305 21.8630 22.7130 22.7715 k = 0.0740 0.0427 0.1209 ( 775 PWs) bands (ev): -6.7295 -6.7293 3.4007 3.4061 3.5680 3.5924 3.6581 3.6606 5.5919 5.6191 5.6353 5.6706 9.8552 9.8651 10.2857 10.2946 10.5210 10.5378 13.1289 13.1332 21.9163 21.9482 22.7390 22.7950 k = 0.0691 0.0399 0.1128 ( 775 PWs) bands (ev): -6.7506 -6.7503 3.4168 3.4220 3.5619 3.5847 3.6515 3.6537 5.5970 5.6225 5.6351 5.6683 9.9300 9.9395 10.3269 10.3359 10.5332 10.5485 13.0438 13.0476 22.0018 22.0330 22.7588 22.8121 k = 0.0641 0.0370 0.1047 ( 775 PWs) bands (ev): -6.7702 -6.7701 3.4319 3.4370 3.5561 3.5774 3.6455 3.6474 5.6019 5.6257 5.6352 5.6661 10.0034 10.0125 10.3651 10.3742 10.5447 10.5585 12.9613 12.9645 22.0861 22.1164 22.7733 22.8234 k = 0.0592 0.0342 0.0967 ( 775 PWs) bands (ev): -6.7886 -6.7885 3.4460 3.4509 3.5508 3.5704 3.6401 3.6417 5.6066 5.6286 5.6354 5.6640 10.0751 10.0836 10.4004 10.4096 10.5555 10.5677 12.8814 12.8842 22.1686 22.1977 22.7832 22.8299 k = 0.0543 0.0313 0.0886 ( 775 PWs) bands (ev): -6.8056 -6.8055 3.4591 3.4638 3.5458 3.5638 3.6353 3.6366 5.6111 5.6314 5.6357 5.6620 10.1446 10.1527 10.4327 10.4420 10.5656 10.5762 12.8046 12.8069 22.2482 22.2759 22.7896 22.8323 k = 0.0493 0.0285 0.0806 ( 771 PWs) bands (ev): -6.8212 -6.8211 3.4712 3.4756 3.5413 3.5577 3.6313 3.6323 5.6155 5.6340 5.6362 5.6602 10.2117 10.2192 10.4619 10.4713 10.5752 10.5840 12.7311 12.7330 22.3238 22.3498 22.7937 22.8320 k = 0.0444 0.0256 0.0725 ( 771 PWs) bands (ev): -6.8354 -6.8353 3.4818 3.4860 3.5373 3.5520 3.6279 3.6287 5.6196 5.6363 5.6368 5.6584 10.2757 10.2827 10.4881 10.4976 10.5843 10.5913 12.6614 12.6629 22.3943 22.4179 22.7970 22.8304 k = 0.0395 0.0228 0.0645 ( 769 PWs) bands (ev): -6.8482 -6.8481 3.4912 3.4951 3.5337 3.5467 3.6253 3.6259 5.6234 5.6376 5.6384 5.6567 10.3361 10.3425 10.5111 10.5208 10.5930 10.5981 12.5959 12.5971 22.4579 22.4787 22.8009 22.8290 k = 0.0345 0.0199 0.0564 ( 769 PWs) bands (ev): -6.8595 -6.8594 3.4991 3.5027 3.5305 3.5420 3.6234 3.6238 5.6269 5.6383 5.6401 5.6550 10.3921 10.3979 10.5310 10.5407 10.6014 10.6048 12.5354 12.5362 22.5130 22.5301 22.8075 22.8297 k = 0.0296 0.0171 0.0483 ( 761 PWs) bands (ev): -6.8693 -6.8693 3.5059 3.5091 3.5279 3.5377 3.6222 3.6225 5.6303 5.6393 5.6418 5.6536 10.4432 10.4482 10.5477 10.5573 10.6097 10.6115 12.4803 12.4809 22.5579 22.5706 22.8182 22.8342 k = 0.0247 0.0142 0.0403 ( 761 PWs) bands (ev): -6.8776 -6.8776 3.5113 3.5140 3.5257 3.5339 3.6216 3.6217 5.6332 5.6402 5.6429 5.6520 10.4880 10.4922 10.5613 10.5703 10.6180 10.6185 12.4316 12.4320 22.5914 22.5996 22.8332 22.8433 k = 0.0197 0.0114 0.0322 ( 749 PWs) bands (ev): -6.8845 -6.8845 3.5156 3.5178 3.5242 3.5307 3.6214 3.6215 5.6362 5.6413 5.6440 5.6506 10.5258 10.5292 10.5720 10.5799 10.6262 10.6263 12.3901 12.3903 22.6140 22.6184 22.8510 22.8564 k = 0.0148 0.0085 0.0242 ( 749 PWs) bands (ev): -6.8898 -6.8898 3.5187 3.5204 3.5231 3.5280 3.6214 3.6215 5.6385 5.6422 5.6445 5.6491 10.5551 10.5576 10.5799 10.5862 10.6342 10.6345 12.3566 12.3567 22.6278 22.6296 22.8687 22.8709 k = 0.0099 0.0057 0.0161 ( 749 PWs) bands (ev): -6.8936 -6.8936 3.5209 3.5221 3.5226 3.5258 3.6216 3.6216 5.6406 5.6430 5.6447 5.6475 10.5756 10.5771 10.5856 10.5900 10.6418 10.6420 12.3319 12.3320 22.6353 22.6358 22.8833 22.8840 k = 0.0049 0.0028 0.0081 ( 749 PWs) bands (ev): -6.8959 -6.8959 3.5223 3.5226 3.5229 3.5242 3.6217 3.6217 5.6425 5.6437 5.6446 5.6459 10.5873 10.5880 10.5894 10.5916 10.6475 10.6475 12.3168 12.3168 22.6388 22.6389 22.8928 22.8929 k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -6.8967 -6.8967 3.5230 3.5230 3.5230 3.5230 3.6218 3.6218 5.6443 5.6443 5.6443 5.6443 10.5913 10.5913 10.5913 10.5913 10.6496 10.6496 12.3117 12.3117 22.6398 22.6398 22.8961 22.8961 k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev): -6.8967 -6.8967 3.5230 3.5230 3.5230 3.5230 3.6218 3.6218 5.6443 5.6443 5.6443 5.6443 10.5913 10.5913 10.5913 10.5913 10.6496 10.6496 12.3117 12.3117 22.6398 22.6398 22.8961 22.8961 k = 0.0081 0.0047 0.0033 ( 749 PWs) bands (ev): -6.8959 -6.8959 3.5224 3.5227 3.5227 3.5242 3.6217 3.6217 5.6425 5.6442 5.6442 5.6460 10.5875 10.5875 10.5894 10.5918 10.6475 10.6475 12.3168 12.3168 22.6388 22.6388 22.8927 22.8927 k = 0.0161 0.0093 0.0066 ( 749 PWs) bands (ev): -6.8936 -6.8936 3.5216 3.5216 3.5223 3.5259 3.6216 3.6216 5.6406 5.6438 5.6438 5.6476 10.5755 10.5755 10.5861 10.5908 10.6420 10.6420 12.3320 12.3320 22.6354 22.6354 22.8831 22.8831 k = 0.0242 0.0140 0.0099 ( 749 PWs) bands (ev): -6.8898 -6.8898 3.5198 3.5198 3.5227 3.5281 3.6214 3.6214 5.6386 5.6433 5.6433 5.6491 10.5540 10.5540 10.5814 10.5884 10.6349 10.6349 12.3567 12.3567 22.6282 22.6282 22.8690 22.8690 k = 0.0323 0.0186 0.0132 ( 749 PWs) bands (ev): -6.8845 -6.8845 3.5170 3.5170 3.5236 3.5308 3.6214 3.6214 5.6365 5.6425 5.6425 5.6505 10.5227 10.5227 10.5753 10.5846 10.6270 10.6270 12.3902 12.3902 22.6147 22.6147 22.8530 22.8530 k = 0.0403 0.0233 0.0165 ( 755 PWs) bands (ev): -6.8776 -6.8776 3.5130 3.5130 3.5250 3.5340 3.6216 3.6216 5.6343 5.6415 5.6415 5.6518 10.4820 10.4820 10.5678 10.5793 10.6187 10.6187 12.4318 12.4318 22.5916 22.5916 22.8388 22.8388 k = 0.0484 0.0279 0.0198 ( 758 PWs) bands (ev): -6.8692 -6.8692 3.5081 3.5081 3.5269 3.5377 3.6223 3.6223 5.6320 5.6402 5.6402 5.6529 10.4336 10.4336 10.5589 10.5727 10.6097 10.6097 12.4804 12.4804 22.5562 22.5562 22.8298 22.8298 k = 0.0565 0.0326 0.0230 ( 770 PWs) bands (ev): -6.8594 -6.8594 3.5018 3.5018 3.5291 3.5417 3.6234 3.6234 5.6294 5.6385 5.6385 5.6538 10.3783 10.3783 10.5485 10.5646 10.5997 10.5997 12.5353 12.5353 22.5076 22.5076 22.8273 22.8273 k = 0.0645 0.0372 0.0263 ( 770 PWs) bands (ev): -6.8481 -6.8481 3.4943 3.4943 3.5320 3.5464 3.6253 3.6253 5.6271 5.6370 5.6370 5.6549 10.3170 10.3170 10.5370 10.5552 10.5888 10.5888 12.5956 12.5956 22.4468 22.4468 22.8310 22.8310 k = 0.0726 0.0419 0.0296 ( 779 PWs) bands (ev): -6.8353 -6.8353 3.4851 3.4851 3.5354 3.5514 3.6279 3.6279 5.6246 5.6351 5.6351 5.6557 10.2505 10.2505 10.5241 10.5445 10.5767 10.5767 12.6607 12.6607 22.3757 22.3757 22.8396 22.8396 k = 0.0806 0.0466 0.0329 ( 779 PWs) bands (ev): -6.8211 -6.8211 3.4748 3.4748 3.5392 3.5570 3.6312 3.6312 5.6222 5.6332 5.6332 5.6567 10.1797 10.1797 10.5099 10.5325 10.5635 10.5635 12.7298 12.7298 22.2959 22.2959 22.8520 22.8520 k = 0.0887 0.0512 0.0362 ( 773 PWs) bands (ev): -6.8055 -6.8055 3.4633 3.4633 3.5435 3.5630 3.6354 3.6354 5.6201 5.6314 5.6314 5.6579 10.1049 10.1049 10.4946 10.5193 10.5491 10.5491 12.8025 12.8025 22.2091 22.2091 22.8671 22.8671 k = 0.0968 0.0559 0.0395 ( 773 PWs) bands (ev): -6.7885 -6.7885 3.4505 3.4505 3.5482 3.5694 3.6402 3.6402 5.6179 5.6294 5.6294 5.6589 10.0267 10.0267 10.4781 10.5048 10.5336 10.5336 12.8784 12.8784 22.1165 22.1165 22.8842 22.8842 k = 0.1048 0.0605 0.0428 ( 785 PWs) bands (ev): -6.7701 -6.7701 3.4365 3.4365 3.5530 3.5759 3.6454 3.6454 5.6155 5.6271 5.6271 5.6597 9.9453 9.9453 10.4602 10.4889 10.5169 10.5169 12.9569 12.9569 22.0190 22.0190 22.9027 22.9027 k = 0.1129 0.0652 0.0461 ( 785 PWs) bands (ev): -6.7504 -6.7504 3.4215 3.4215 3.5584 3.5829 3.6515 3.6515 5.6134 5.6249 5.6249 5.6607 9.8611 9.8611 10.4414 10.4720 10.4992 10.4992 13.0379 13.0379 21.9177 21.9177 22.9222 22.9222 k = 0.1210 0.0698 0.0494 ( 785 PWs) bands (ev): -6.7294 -6.7294 3.4055 3.4055 3.5642 3.5904 3.6581 3.6581 5.6114 5.6226 5.6226 5.6618 9.7746 9.7746 10.4216 10.4540 10.4804 10.4804 13.1210 13.1210 21.8133 21.8133 22.9422 22.9422 k = 0.1290 0.0745 0.0527 ( 785 PWs) bands (ev): -6.7072 -6.7072 3.3887 3.3887 3.5704 3.5981 3.6653 3.6653 5.6096 5.6204 5.6204 5.6630 9.6857 9.6857 10.4007 10.4349 10.4606 10.4606 13.2060 13.2060 21.7065 21.7065 22.9623 22.9623 k = 0.1371 0.0792 0.0560 ( 785 PWs) bands (ev): -6.6837 -6.6837 3.3711 3.3711 3.5768 3.6061 3.6729 3.6729 5.6079 5.6181 5.6181 5.6642 9.5949 9.5949 10.3788 10.4148 10.4399 10.4399 13.2926 13.2926 21.5979 21.5979 22.9821 22.9821 k = 0.1452 0.0838 0.0593 ( 785 PWs) bands (ev): -6.6590 -6.6590 3.3529 3.3529 3.5836 3.6143 3.6810 3.6810 5.6064 5.6160 5.6160 5.6655 9.5021 9.5021 10.3560 10.3937 10.4182 10.4182 13.3808 13.3808 21.4882 21.4882 23.0013 23.0013 k = 0.1532 0.0885 0.0626 ( 785 PWs) bands (ev): -6.6332 -6.6332 3.3341 3.3341 3.5906 3.6227 3.6894 3.6894 5.6052 5.6138 5.6138 5.6670 9.4078 9.4078 10.3324 10.3717 10.3957 10.3957 13.4702 13.4702 21.3776 21.3776 23.0194 23.0194 k = 0.1613 0.0931 0.0658 ( 785 PWs) bands (ev): -6.6064 -6.6064 3.3148 3.3148 3.5978 3.6313 3.6982 3.6982 5.6042 5.6118 5.6118 5.6686 9.3119 9.3119 10.3079 10.3487 10.3723 10.3723 13.5607 13.5607 21.2668 21.2668 23.0362 23.0362 k = 0.1694 0.0978 0.0691 ( 785 PWs) bands (ev): -6.5784 -6.5784 3.2951 3.2951 3.6052 3.6401 3.7073 3.7073 5.6035 5.6099 5.6099 5.6704 9.2146 9.2146 10.2827 10.3250 10.3482 10.3482 13.6522 13.6522 21.1561 21.1561 23.0513 23.0513 k = 0.1774 0.1024 0.0724 ( 791 PWs) bands (ev): -6.5495 -6.5495 3.2751 3.2751 3.6127 3.6488 3.7165 3.7165 5.6030 5.6081 5.6081 5.6722 9.1162 9.1162 10.2567 10.3003 10.3232 10.3232 13.7445 13.7445 21.0459 21.0459 23.0645 23.0645 k = 0.1855 0.1071 0.0757 ( 791 PWs) bands (ev): -6.5197 -6.5197 3.2549 3.2549 3.6204 3.6578 3.7260 3.7260 5.6029 5.6065 5.6065 5.6744 9.0167 9.0167 10.2301 10.2751 10.2977 10.2977 13.8375 13.8375 20.9365 20.9365 23.0754 23.0754 k = 0.1935 0.1117 0.0790 ( 794 PWs) bands (ev): -6.4890 -6.4890 3.2344 3.2344 3.6283 3.6667 3.7357 3.7357 5.6032 5.6051 5.6051 5.6768 8.9162 8.9162 10.2030 10.2491 10.2716 10.2716 13.9309 13.9309 20.8281 20.8281 23.0838 23.0838 k = 0.2016 0.1164 0.0823 ( 794 PWs) bands (ev): -6.4574 -6.4574 3.2141 3.2141 3.6363 3.6757 3.7455 3.7455 5.6039 5.6040 5.6040 5.6794 8.8150 8.8150 10.1753 10.2225 10.2449 10.2449 14.0248 14.0248 20.7210 20.7210 23.0896 23.0896 k = 0.2097 0.1211 0.0856 ( 794 PWs) bands (ev): -6.4252 -6.4252 3.1938 3.1938 3.6443 3.6847 3.7554 3.7554 5.6031 5.6031 5.6050 5.6823 8.7133 8.7133 10.1472 10.1954 10.2177 10.2177 14.1189 14.1189 20.6155 20.6155 23.0927 23.0927 k = 0.2177 0.1257 0.0889 ( 791 PWs) bands (ev): -6.3922 -6.3922 3.1737 3.1737 3.6524 3.6936 3.7654 3.7654 5.6025 5.6025 5.6065 5.6855 8.6111 8.6111 10.1187 10.1677 10.1901 10.1901 14.2131 14.2131 20.5118 20.5118 23.0928 23.0928 k = 0.2258 0.1304 0.0922 ( 791 PWs) bands (ev): -6.3586 -6.3586 3.1537 3.1537 3.6605 3.7024 3.7754 3.7754 5.6022 5.6022 5.6085 5.6890 8.5086 8.5086 10.0898 10.1396 10.1621 10.1621 14.3072 14.3072 20.4099 20.4099 23.0901 23.0901 k = 0.2339 0.1350 0.0955 ( 784 PWs) bands (ev): -6.3245 -6.3245 3.1340 3.1340 3.6686 3.7112 3.7854 3.7854 5.6023 5.6023 5.6111 5.6928 8.4061 8.4061 10.0607 10.1112 10.1338 10.1338 14.4011 14.4011 20.3102 20.3102 23.0844 23.0844 k = 0.2419 0.1397 0.0988 ( 784 PWs) bands (ev): -6.2900 -6.2900 3.1146 3.1146 3.6766 3.7198 3.7953 3.7953 5.6026 5.6026 5.6140 5.6969 8.3034 8.3034 10.0314 10.0825 10.1053 10.1053 14.4946 14.4946 20.2127 20.2127 23.0760 23.0760 k = 0.2500 0.1443 0.1021 ( 784 PWs) bands (ev): -6.2550 -6.2550 3.0956 3.0956 3.6845 3.7281 3.8050 3.8050 5.6032 5.6032 5.6174 5.7012 8.2010 8.2010 10.0019 10.0534 10.0766 10.0766 14.5876 14.5876 20.1175 20.1175 23.0647 23.0647 k = 0.2581 0.1490 0.1054 ( 784 PWs) bands (ev): -6.2198 -6.2198 3.0770 3.0770 3.6923 3.7362 3.8147 3.8147 5.6042 5.6042 5.6213 5.7057 8.0990 8.0990 9.9723 10.0242 10.0477 10.0477 14.6799 14.6799 20.0248 20.0248 23.0510 23.0510 k = 0.2661 0.1536 0.1086 ( 778 PWs) bands (ev): -6.1843 -6.1843 3.0593 3.0593 3.7001 3.7441 3.8242 3.8242 5.6056 5.6056 5.6258 5.7107 7.9975 7.9975 9.9428 9.9949 10.0189 10.0189 14.7715 14.7715 19.9347 19.9347 23.0348 23.0348 k = 0.2742 0.1583 0.1119 ( 778 PWs) bands (ev): -6.1487 -6.1487 3.0418 3.0418 3.7077 3.7518 3.8335 3.8335 5.6073 5.6073 5.6307 5.7159 7.8968 7.8968 9.9133 9.9655 9.9900 9.9900 14.8620 14.8620 19.8471 19.8471 23.0164 23.0164 k = 0.2823 0.1630 0.1152 ( 778 PWs) bands (ev): -6.1131 -6.1131 3.0249 3.0249 3.7151 3.7591 3.8426 3.8426 5.6093 5.6093 5.6361 5.7213 7.7969 7.7969 9.8840 9.9361 9.9612 9.9612 14.9513 14.9513 19.7623 19.7623 22.9961 22.9961 k = 0.2903 0.1676 0.1185 ( 775 PWs) bands (ev): -6.0776 -6.0776 3.0087 3.0087 3.7224 3.7662 3.8514 3.8514 5.6117 5.6117 5.6421 5.7270 7.6982 7.6982 9.8549 9.9068 9.9327 9.9327 15.0393 15.0393 19.6802 19.6802 22.9740 22.9740 k = 0.2984 0.1723 0.1218 ( 775 PWs) bands (ev): -6.0422 -6.0422 2.9932 2.9932 3.7295 3.7729 3.8600 3.8600 5.6144 5.6144 5.6484 5.7328 7.6008 7.6008 9.8260 9.8777 9.9043 9.9043 15.1259 15.1259 19.6010 19.6010 22.9505 22.9505 k = 0.3065 0.1769 0.1251 ( 775 PWs) bands (ev): -6.0071 -6.0071 2.9785 2.9785 3.7363 3.7793 3.8682 3.8682 5.6174 5.6174 5.6552 5.7389 7.5049 7.5049 9.7976 9.8488 9.8762 9.8762 15.2108 15.2108 19.5247 19.5247 22.9259 22.9259 k = 0.3145 0.1816 0.1284 ( 769 PWs) bands (ev): -5.9723 -5.9723 2.9645 2.9645 3.7431 3.7854 3.8763 3.8763 5.6208 5.6208 5.6626 5.7453 7.4108 7.4108 9.7695 9.8202 9.8485 9.8485 15.2938 15.2938 19.4513 19.4513 22.9002 22.9002 k = 0.3226 0.1862 0.1317 ( 769 PWs) bands (ev): -5.9379 -5.9379 2.9513 2.9513 3.7495 3.7910 3.8839 3.8839 5.6242 5.6242 5.6702 5.7517 7.3185 7.3185 9.7420 9.7919 9.8212 9.8212 15.3749 15.3749 19.3808 19.3808 22.8739 22.8739 k = 0.3306 0.1909 0.1350 ( 769 PWs) bands (ev): -5.9042 -5.9042 2.9390 2.9390 3.7556 3.7963 3.8912 3.8912 5.6279 5.6279 5.6781 5.7581 7.2284 7.2284 9.7151 9.7641 9.7945 9.7945 15.4538 15.4538 19.3134 19.3134 22.8472 22.8472 k = 0.3387 0.1956 0.1383 ( 769 PWs) bands (ev): -5.8710 -5.8710 2.9274 2.9274 3.7616 3.8013 3.8981 3.8981 5.6318 5.6318 5.6864 5.7646 7.1406 7.1406 9.6888 9.7368 9.7683 9.7683 15.5304 15.5304 19.2489 19.2489 22.8203 22.8203 k = 0.3468 0.2002 0.1416 ( 769 PWs) bands (ev): -5.8387 -5.8387 2.9167 2.9167 3.7673 3.8058 3.9047 3.9047 5.6358 5.6358 5.6949 5.7711 7.0553 7.0553 9.6633 9.7101 9.7428 9.7428 15.6045 15.6045 19.1875 19.1875 22.7934 22.7934 k = 0.3548 0.2049 0.1449 ( 769 PWs) bands (ev): -5.8072 -5.8072 2.9069 2.9069 3.7727 3.8100 3.9109 3.9109 5.6398 5.6398 5.7036 5.7776 6.9729 6.9729 9.6386 9.6841 9.7181 9.7181 15.6760 15.6760 19.1292 19.1292 22.7667 22.7667 k = 0.3629 0.2095 0.1482 ( 775 PWs) bands (ev): -5.7767 -5.7767 2.8978 2.8978 3.7779 3.8138 3.9167 3.9167 5.6437 5.6437 5.7123 5.7838 6.8934 6.8934 9.6147 9.6588 9.6941 9.6941 15.7447 15.7447 19.0739 19.0739 22.7404 22.7404 k = 0.3710 0.2142 0.1514 ( 775 PWs) bands (ev): -5.7473 -5.7473 2.8896 2.8896 3.7829 3.8172 3.9222 3.9222 5.6478 5.6478 5.7213 5.7901 6.8172 6.8172 9.5919 9.6343 9.6711 9.6711 15.8103 15.8103 19.0218 19.0218 22.7148 22.7148 k = 0.3790 0.2188 0.1547 ( 775 PWs) bands (ev): -5.7190 -5.7190 2.8821 2.8821 3.7876 3.8203 3.9273 3.9273 5.6517 5.6517 5.7303 5.7962 6.7444 6.7444 9.5701 9.6107 9.6490 9.6490 15.8729 15.8729 18.9728 18.9728 22.6899 22.6899 k = 0.3871 0.2235 0.1580 ( 775 PWs) bands (ev): -5.6921 -5.6921 2.8755 2.8755 3.7920 3.8231 3.9320 3.9320 5.6555 5.6555 5.7394 5.8020 6.6753 6.6753 9.5494 9.5882 9.6279 9.6279 15.9322 15.9322 18.9269 18.9269 22.6660 22.6660 k = 0.3952 0.2281 0.1613 ( 775 PWs) bands (ev): -5.6664 -5.6664 2.8696 2.8696 3.7962 3.8255 3.9363 3.9363 5.6591 5.6591 5.7483 5.8075 6.6101 6.6101 9.5299 9.5666 9.6080 9.6080 15.9881 15.9881 18.8842 18.8842 22.6432 22.6432 k = 0.4032 0.2328 0.1646 ( 769 PWs) bands (ev): -5.6423 -5.6423 2.8645 2.8645 3.8002 3.8276 3.9404 3.9404 5.6626 5.6626 5.7573 5.8129 6.5491 6.5491 9.5117 9.5462 9.5892 9.5892 16.0405 16.0405 18.8447 18.8447 22.6215 22.6215 k = 0.4113 0.2375 0.1679 ( 772 PWs) bands (ev): -5.6197 -5.6197 2.8599 2.8599 3.8039 3.8293 3.9440 3.9440 5.6655 5.6655 5.7659 5.8176 6.4923 6.4923 9.4948 9.5269 9.5716 9.5716 16.0891 16.0891 18.8082 18.8082 22.6012 22.6012 k = 0.4194 0.2421 0.1712 ( 772 PWs) bands (ev): -5.5988 -5.5988 2.8560 2.8560 3.8074 3.8307 3.9473 3.9473 5.6681 5.6681 5.7743 5.8220 6.4400 6.4400 9.4793 9.5090 9.5553 9.5553 16.1340 16.1340 18.7749 18.7749 22.5824 22.5824 k = 0.4274 0.2468 0.1745 ( 772 PWs) bands (ev): -5.5796 -5.5796 2.8527 2.8527 3.8107 3.8319 3.9502 3.9502 5.6703 5.6703 5.7823 5.8258 6.3923 6.3923 9.4652 9.4923 9.5404 9.5404 16.1749 16.1749 18.7447 18.7447 22.5650 22.5650 k = 0.4355 0.2514 0.1778 ( 778 PWs) bands (ev): -5.5622 -5.5622 2.8499 2.8499 3.8137 3.8327 3.9528 3.9528 5.6719 5.6719 5.7898 5.8288 6.3495 6.3495 9.4526 9.4770 9.5269 9.5269 16.2119 16.2119 18.7177 18.7177 22.5493 22.5493 k = 0.4435 0.2561 0.1811 ( 778 PWs) bands (ev): -5.5467 -5.5467 2.8475 2.8475 3.8165 3.8332 3.9551 3.9551 5.6733 5.6733 5.7970 5.8315 6.3116 6.3116 9.4416 9.4632 9.5148 9.5148 16.2447 16.2447 18.6939 18.6939 22.5353 22.5353 k = 0.4516 0.2607 0.1844 ( 778 PWs) bands (ev): -5.5331 -5.5331 2.8456 2.8456 3.8191 3.8336 3.9571 3.9571 5.6743 5.6743 5.8037 5.8336 6.2787 6.2787 9.4322 9.4509 9.5043 9.5043 16.2733 16.2733 18.6733 18.6733 22.5230 22.5230 k = 0.4597 0.2654 0.1877 ( 781 PWs) bands (ev): -5.5215 -5.5215 2.8441 2.8441 3.8215 3.8336 3.9587 3.9587 5.6749 5.6749 5.8098 5.8349 6.2507 6.2507 9.4244 9.4402 9.4953 9.4953 16.2977 16.2977 18.6558 18.6558 22.5125 22.5125 k = 0.4677 0.2701 0.1910 ( 781 PWs) bands (ev): -5.5120 -5.5120 2.8429 2.8429 3.8237 3.8334 3.9601 3.9601 5.6753 5.6753 5.8154 5.8356 6.2279 6.2279 9.4183 9.4310 9.4879 9.4879 16.3177 16.3177 18.6415 18.6415 22.5038 22.5038 k = 0.4758 0.2747 0.1942 ( 781 PWs) bands (ev): -5.5045 -5.5045 2.8420 2.8420 3.8257 3.8330 3.9611 3.9611 5.6755 5.6755 5.8204 5.8356 6.2103 6.2103 9.4139 9.4235 9.4821 9.4821 16.3333 16.3333 18.6303 18.6303 22.4971 22.4971 k = 0.4839 0.2794 0.1975 ( 778 PWs) bands (ev): -5.4991 -5.4991 2.8414 2.8414 3.8275 3.8323 3.9619 3.9619 5.6756 5.6756 5.8247 5.8349 6.1979 6.1979 9.4112 9.4176 9.4780 9.4780 16.3445 16.3445 18.6224 18.6224 22.4922 22.4922 k = 0.4919 0.2840 0.2008 ( 778 PWs) bands (ev): -5.4959 -5.4959 2.8411 2.8411 3.8290 3.8314 3.9623 3.9623 5.6756 5.6756 5.8283 5.8334 6.1903 6.1903 9.4102 9.4134 9.4755 9.4755 16.3513 16.3513 18.6177 18.6177 22.4893 22.4893 k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev): -5.4948 -5.4948 2.8410 2.8410 3.8303 3.8303 3.9624 3.9624 5.6756 5.6756 5.8312 5.8312 6.1878 6.1878 9.4110 9.4110 9.4746 9.4746 16.3535 16.3535 18.6161 18.6161 22.4883 22.4883 k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev): -5.4948 -5.4948 2.8410 2.8410 3.8303 3.8303 3.9624 3.9624 5.6756 5.6756 5.8312 5.8312 6.1878 6.1878 9.4110 9.4110 9.4746 9.4746 16.3535 16.3535 18.6161 18.6161 22.4883 22.4883 k = 0.5028 0.2805 0.2088 ( 778 PWs) bands (ev): -5.4946 -5.4942 2.8417 2.8419 3.8304 3.8304 3.9624 3.9626 5.6735 5.6775 5.8313 5.8313 6.1853 6.1902 9.4089 9.4089 9.4722 9.4732 16.3565 16.3577 18.6139 18.6150 22.4862 22.4870 k = 0.5057 0.2723 0.2134 ( 778 PWs) bands (ev): -5.4937 -5.4928 2.8440 2.8445 3.8305 3.8305 3.9623 3.9628 5.6713 5.6794 5.8313 5.8314 6.1825 6.1924 9.4023 9.4029 9.4663 9.4680 16.3666 16.3691 18.6085 18.6106 22.4790 22.4806 k = 0.5085 0.2641 0.2180 ( 780 PWs) bands (ev): -5.4920 -5.4906 2.8480 2.8487 3.8305 3.8307 3.9623 3.9631 5.6690 5.6812 5.8314 5.8316 6.1795 6.1944 9.3906 9.3924 9.4576 9.4592 16.3839 16.3876 18.5998 18.6030 22.4633 22.4655 k = 0.5114 0.2559 0.2227 ( 780 PWs) bands (ev): -5.4895 -5.4877 2.8537 2.8545 3.8305 3.8309 3.9624 3.9637 5.6667 5.6828 5.8315 5.8319 6.1764 6.1963 9.3732 9.3771 9.4470 9.4476 16.4081 16.4130 18.5880 18.5922 22.4366 22.4391 k = 0.5142 0.2477 0.2273 ( 782 PWs) bands (ev): -5.4863 -5.4840 2.8609 2.8620 3.8302 3.8311 3.9626 3.9646 5.6642 5.6843 5.8316 5.8323 6.1730 6.1982 9.3496 9.3565 9.4337 9.4351 16.4391 16.4451 18.5730 18.5782 22.3995 22.4021 k = 0.5170 0.2395 0.2320 ( 781 PWs) bands (ev): -5.4824 -5.4796 2.8697 2.8710 3.8297 3.8312 3.9633 3.9661 5.6615 5.6856 5.8317 5.8329 6.1695 6.2000 9.3200 9.3301 9.4183 9.4220 16.4767 16.4838 18.5549 18.5611 22.3539 22.3565 k = 0.5199 0.2313 0.2366 ( 779 PWs) bands (ev): -5.4777 -5.4744 2.8800 2.8816 3.8289 3.8311 3.9644 3.9683 5.6587 5.6867 5.8317 5.8336 6.1659 6.2018 9.2844 9.2980 9.4016 9.4076 16.5205 16.5286 18.5339 18.5410 22.3017 22.3041 k = 0.5227 0.2231 0.2412 ( 777 PWs) bands (ev): -5.4722 -5.4686 2.8917 2.8936 3.8275 3.8307 3.9661 3.9713 5.6557 5.6876 5.8317 5.8344 6.1622 6.2037 9.2434 9.2604 9.3837 9.3920 16.5702 16.5793 18.5100 18.5180 22.2443 22.2464 k = 0.5256 0.2149 0.2459 ( 779 PWs) bands (ev): -5.4661 -5.4620 2.9049 2.9071 3.8256 3.8299 3.9685 3.9752 5.6523 5.6882 5.8315 5.8351 6.1585 6.2057 9.1975 9.2176 9.3644 9.3749 16.6254 16.6354 18.4833 18.4922 22.1832 22.1849 k = 0.5284 0.2067 0.2505 ( 779 PWs) bands (ev): -5.4593 -5.4547 2.9194 2.9219 3.8231 3.8286 3.9718 3.9802 5.6486 5.6884 5.8312 5.8358 6.1549 6.2079 9.1469 9.1701 9.3438 9.3563 16.6857 16.6965 18.4543 18.4638 22.1194 22.1206 k = 0.5312 0.1985 0.2552 ( 781 PWs) bands (ev): -5.4518 -5.4469 2.9351 2.9379 3.8201 3.8269 3.9760 3.9862 5.6446 5.6884 5.8307 5.8363 6.1515 6.2103 9.0922 9.1182 9.3217 9.3362 16.7506 16.7621 18.4229 18.4331 22.0540 22.0546 k = 0.5341 0.1903 0.2598 ( 779 PWs) bands (ev): -5.4437 -5.4383 2.9519 2.9552 3.8169 3.8249 3.9814 3.9934 5.6401 5.6880 5.8300 5.8367 6.1484 6.2131 9.0337 9.0626 9.2983 9.3145 16.8195 16.8316 18.3898 18.4005 21.9878 21.9879 k = 0.5369 0.1821 0.2644 ( 781 PWs) bands (ev): -5.4350 -5.4292 2.9697 2.9734 3.8133 3.8226 3.9877 4.0015 5.6351 5.6873 5.8291 5.8365 6.1457 6.2162 8.9718 9.0033 9.2734 9.2913 16.8918 16.9043 18.3552 18.3662 21.9210 21.9217 k = 0.5398 0.1739 0.2691 ( 780 PWs) bands (ev): -5.4257 -5.4195 2.9884 2.9926 3.8097 3.8202 3.9951 4.0108 5.6296 5.6862 5.8280 5.8359 6.1437 6.2199 8.9068 8.9410 9.2470 9.2667 16.9665 16.9793 18.3198 18.3310 21.8547 21.8562 k = 0.5426 0.1657 0.2737 ( 778 PWs) bands (ev): -5.4159 -5.4093 3.0077 3.0124 3.8064 3.8178 4.0036 4.0212 5.6235 5.6848 5.8266 5.8346 6.1424 6.2241 8.8392 8.8760 9.2193 9.2406 17.0428 17.0557 18.2844 18.2956 21.7897 21.7919 k = 0.5455 0.1575 0.2784 ( 776 PWs) bands (ev): -5.4055 -5.3985 3.0274 3.0328 3.8035 3.8159 4.0131 4.0325 5.6168 5.6830 5.8250 5.8323 6.1421 6.2288 8.7692 8.8085 9.1903 9.2131 17.1194 17.1320 18.2502 18.2610 21.7262 21.7292 k = 0.5483 0.1493 0.2830 ( 776 PWs) bands (ev): -5.3947 -5.3873 3.0472 3.0533 3.8014 3.8144 4.0234 4.0446 5.6092 5.6809 5.8231 5.8289 6.1428 6.2342 8.6971 8.7390 9.1600 9.1844 17.1946 17.2065 18.2187 18.2287 21.6648 21.6685 k = 0.5511 0.1411 0.2876 ( 777 PWs) bands (ev): -5.3834 -5.3757 3.0669 3.0739 3.8004 3.8140 4.0346 4.0576 5.6009 5.6785 5.8210 5.8243 6.1447 6.2401 8.6234 8.6678 9.1285 9.1544 17.2661 17.2768 18.1921 18.2008 21.6056 21.6101 k = 0.5540 0.1329 0.2923 ( 777 PWs) bands (ev): -5.3718 -5.3637 3.0861 3.0940 3.8009 3.8149 4.0466 4.0713 5.5917 5.6758 5.8182 5.8187 6.1480 6.2469 8.5483 8.5952 9.0959 9.1233 17.3309 17.3397 18.1735 18.1801 21.5490 21.5543 k = 0.5568 0.1247 0.2969 ( 779 PWs) bands (ev): -5.3597 -5.3513 3.1044 3.1134 3.8033 3.8174 4.0594 4.0858 5.5815 5.6728 5.8106 5.8161 6.1527 6.2543 8.4721 8.5215 9.0623 9.0911 17.3852 17.3913 18.1666 18.1702 21.4951 21.5011 k = 0.5597 0.1165 0.3015 ( 779 PWs) bands (ev): -5.3474 -5.3387 3.1215 3.1318 3.8081 3.8221 4.0728 4.1009 5.5703 5.6694 5.8016 5.8134 6.1588 6.2625 8.3953 8.4471 9.0277 9.0579 17.4248 17.4274 18.1752 18.1753 21.4441 21.4509 k = 0.5625 0.1083 0.3062 ( 779 PWs) bands (ev): -5.3348 -5.3258 3.1369 3.1485 3.8157 3.8295 4.0869 4.1166 5.5581 5.6657 5.7911 5.8106 6.1663 6.2714 8.3180 8.3724 8.9923 9.0238 17.4454 17.4466 18.1979 18.2021 21.3961 21.4035 k = 0.5653 0.1001 0.3108 ( 776 PWs) bands (ev): -5.3220 -5.3126 3.1502 3.1634 3.8266 3.8400 4.1015 4.1328 5.5448 5.6617 5.7793 5.8077 6.1751 6.2809 8.2408 8.2976 8.9561 8.9889 17.4452 17.4498 18.2390 18.2470 21.3512 21.3594 k = 0.5682 0.0919 0.3155 ( 776 PWs) bands (ev): -5.3090 -5.2994 3.1612 3.1759 3.8409 3.8538 4.1166 4.1495 5.5304 5.6571 5.7663 5.8048 6.1852 6.2911 8.1637 8.2230 8.9192 8.9533 17.4289 17.4363 18.2963 18.3073 21.3095 21.3183 k = 0.5710 0.0837 0.3201 ( 776 PWs) bands (ev): -5.2959 -5.2860 3.1696 3.1859 3.8589 3.8713 4.1321 4.1666 5.5147 5.6519 5.7524 5.8020 6.1964 6.3019 8.0872 8.1490 8.8817 8.9171 17.4003 17.4097 18.3660 18.3793 21.2710 21.2804 k = 0.5739 0.0754 0.3247 ( 774 PWs) bands (ev): -5.2827 -5.2726 3.1752 3.1932 3.8809 3.8925 4.1480 4.1840 5.4980 5.6457 5.7381 5.7993 6.2086 6.3132 8.0116 8.0759 8.8438 8.8804 17.3625 17.3732 18.4446 18.4595 21.2359 21.2459 k = 0.5767 0.0672 0.3294 ( 775 PWs) bands (ev): -5.2696 -5.2592 3.1780 3.1976 3.9067 3.9177 4.1642 4.2017 5.4800 5.6380 5.7237 5.7967 6.2216 6.3247 7.9372 8.0041 8.8054 8.8432 17.3183 17.3297 18.5289 18.5449 21.2041 21.2147 k = 0.5795 0.0590 0.3340 ( 773 PWs) bands (ev): -5.2565 -5.2459 3.1780 3.1992 3.9363 3.9467 4.1807 4.2197 5.4610 5.6284 5.7104 5.7944 6.2353 6.3366 7.8642 7.9338 8.7668 8.8056 17.2696 17.2813 18.6165 18.6332 21.1758 21.1870 k = 0.5824 0.0508 0.3387 ( 771 PWs) bands (ev): -5.2434 -5.2327 3.1756 3.1982 3.9694 3.9793 4.1975 4.2378 5.4409 5.6161 5.6986 5.7924 6.2494 6.3485 7.7932 7.8654 8.7279 8.7679 17.2177 17.2296 18.7055 18.7226 21.1510 21.1627 k = 0.5852 0.0426 0.3433 ( 771 PWs) bands (ev): -5.2306 -5.2197 3.1707 3.1946 4.0058 4.0153 4.2143 4.2559 5.4197 5.6009 5.6890 5.7907 6.2638 6.3602 7.7243 7.7993 8.6890 8.7300 17.1639 17.1757 18.7944 18.8116 21.1299 21.1421 k = 0.5881 0.0344 0.3479 ( 777 PWs) bands (ev): -5.2180 -5.2069 3.1637 3.1888 4.0451 4.0542 4.2312 4.2739 5.3976 5.5828 5.6814 5.7892 6.2782 6.3716 7.6579 7.7358 8.6501 8.6920 17.1087 17.1202 18.8819 18.8992 21.1125 21.1252 k = 0.5909 0.0262 0.3526 ( 775 PWs) bands (ev): -5.2057 -5.1945 3.1549 3.1810 4.0870 4.0959 4.2483 4.2919 5.3749 5.5625 5.6758 5.7882 6.2925 6.3825 7.5945 7.6755 8.6113 8.6541 17.0527 17.0639 18.9673 18.9844 21.0989 21.1122 k = 0.5938 0.0180 0.3572 ( 777 PWs) bands (ev): -5.1938 -5.1824 3.1444 3.1713 4.1310 4.1395 4.2655 4.3097 5.3517 5.5406 5.6717 5.7876 6.3062 6.3924 7.5345 7.6186 8.5726 8.6164 16.9964 17.0071 19.0494 19.0662 21.0891 21.1029 k = 0.5966 0.0098 0.3619 ( 777 PWs) bands (ev): -5.1823 -5.1708 3.1325 3.1602 4.1768 4.1845 4.2832 4.3274 5.3281 5.5177 5.6688 5.7874 6.3192 6.4012 7.4782 7.5657 8.5344 8.5789 16.9402 16.9503 19.1275 19.1441 21.0833 21.0975 k = 0.5994 0.0016 0.3665 ( 773 PWs) bands (ev): -5.1713 -5.1597 3.1195 3.1478 4.2236 4.2296 4.3020 4.3448 5.3047 5.4944 5.6670 5.7877 6.3311 6.4086 7.4261 7.5172 8.4966 8.5419 16.8842 16.8937 19.2011 19.2173 21.0815 21.0961 k = 0.6023-0.0066 0.3711 ( 773 PWs) bands (ev): -5.1608 -5.1492 3.1053 3.1341 4.2710 4.2719 4.3243 4.3620 5.2815 5.4712 5.6659 5.7885 6.3415 6.4140 7.3787 7.4735 8.4594 8.5053 16.8287 16.8376 19.2695 19.2852 21.0834 21.0984 k = 0.6051-0.0148 0.3758 ( 773 PWs) bands (ev): -5.1509 -5.1392 3.0903 3.1194 4.3053 4.3180 4.3555 4.3792 5.2592 5.4485 5.6657 5.7897 6.3501 6.4172 7.3365 7.4351 8.4229 8.4694 16.7738 16.7820 19.3323 19.3475 21.0889 21.1043 k = 0.6080-0.0230 0.3804 ( 773 PWs) bands (ev): -5.1417 -5.1300 3.0745 3.1039 4.3281 4.3623 4.3965 4.3982 5.2382 5.4272 5.6661 5.7915 6.3565 6.4179 7.2999 7.4025 8.3871 8.4342 16.7197 16.7272 19.3893 19.4039 21.0979 21.1136 k = 0.6108-0.0312 0.3851 ( 771 PWs) bands (ev): -5.1332 -5.1216 3.0582 3.0877 4.3457 4.3959 4.4261 4.4413 5.2195 5.4078 5.6673 5.7938 6.3603 6.4159 7.2693 7.3759 8.3523 8.3997 16.6665 16.6733 19.4402 19.4544 21.1099 21.1257 k = 0.6136-0.0394 0.3897 ( 772 PWs) bands (ev): -5.1256 -5.1140 3.0413 3.0708 4.3607 4.4153 4.4651 4.4855 5.2038 5.3912 5.6692 5.7965 6.3614 6.4110 7.2450 7.3555 8.3185 8.3663 16.6143 16.6203 19.4852 19.4989 21.1243 21.1403 k = 0.6165-0.0476 0.3943 ( 772 PWs) bands (ev): -5.1188 -5.1072 3.0240 3.0535 4.3744 4.4299 4.5051 4.5272 5.1923 5.3784 5.6718 5.7997 6.3597 6.4033 7.2273 7.3415 8.2859 8.3339 16.5632 16.5683 19.5244 19.5375 21.1406 21.1567 k = 0.6193-0.0558 0.3990 ( 770 PWs) bands (ev): -5.1129 -5.1014 3.0065 3.0357 4.3869 4.4426 4.5420 4.5644 5.1864 5.3701 5.6751 5.8034 6.3552 6.3930 7.2162 7.3338 8.2546 8.3027 16.5131 16.5174 19.5580 19.5707 21.1582 21.1742 k = 0.6222-0.0640 0.4036 ( 770 PWs) bands (ev): -5.1080 -5.0966 2.9887 3.0177 4.3983 4.4539 4.5741 4.5955 5.1874 5.3675 5.6790 5.8075 6.3483 6.3805 7.2115 7.3321 8.2247 8.2728 16.4641 16.4677 19.5864 19.5988 21.1763 21.1921 k = 0.6250-0.0722 0.4082 ( 762 PWs) bands (ev): -5.1042 -5.0928 2.9708 2.9994 4.4089 4.4641 4.6002 4.6191 5.1966 5.3712 5.6838 5.8122 6.3396 6.3664 7.2130 7.3361 8.1964 8.2444 16.4163 16.4191 19.6102 19.6222 21.1942 21.2098 k = 0.6250-0.0722 0.4082 ( 762 PWs) bands (ev): -5.1042 -5.0928 2.9708 2.9994 4.4089 4.4641 4.6002 4.6191 5.1966 5.3712 5.6838 5.8122 6.3396 6.3664 7.2130 7.3361 8.1964 8.2444 16.4163 16.4191 19.6102 19.6222 21.1942 21.2098 k = 0.6202-0.0694 0.4161 ( 772 PWs) bands (ev): -5.1041 -5.0927 2.9714 3.0001 4.4057 4.4607 4.6021 4.6218 5.1975 5.3719 5.6840 5.8123 6.3394 6.3665 7.2112 7.3345 8.1943 8.2437 16.4187 16.4217 19.6119 19.6239 21.1934 21.2090 k = 0.6154-0.0666 0.4240 ( 772 PWs) bands (ev): -5.1037 -5.0924 2.9734 3.0024 4.3973 4.4517 4.6077 4.6290 5.2006 5.3745 5.6855 5.8135 6.3393 6.3673 7.2058 7.3299 8.1885 8.2416 16.4259 16.4295 19.6173 19.6293 21.1913 21.2070 k = 0.6106-0.0638 0.4318 ( 774 PWs) bands (ev): -5.1032 -5.0918 2.9767 3.0062 4.3846 4.4382 4.6161 4.6392 5.2057 5.3788 5.6881 5.8154 6.3391 6.3684 7.1969 7.3222 8.1793 8.2380 16.4378 16.4423 19.6264 19.6383 21.1878 21.2036 k = 0.6058-0.0611 0.4397 ( 772 PWs) bands (ev): -5.1024 -5.0909 2.9813 3.0115 4.3688 4.4216 4.6264 4.6508 5.2130 5.3849 5.6917 5.8181 6.3390 6.3700 7.1844 7.3113 8.1672 8.2327 16.4544 16.4598 19.6390 19.6510 21.1829 21.1988 k = 0.6010-0.0583 0.4475 ( 774 PWs) bands (ev): -5.1014 -5.0899 2.9870 3.0181 4.3510 4.4029 4.6373 4.6627 5.2224 5.3929 5.6962 5.8215 6.3388 6.3720 7.1684 7.2971 8.1527 8.2257 16.4753 16.4816 19.6554 19.6673 21.1767 21.1928 k = 0.5962-0.0555 0.4554 ( 770 PWs) bands (ev): -5.1001 -5.0886 2.9941 3.0263 4.3319 4.3830 4.6480 4.6743 5.2339 5.4027 5.7020 5.8257 6.3387 6.3744 7.1488 7.2796 8.1363 8.2171 16.5004 16.5073 19.6755 19.6873 21.1693 21.1855 k = 0.5913-0.0527 0.4632 ( 770 PWs) bands (ev): -5.0987 -5.0871 3.0023 3.0358 4.3121 4.3622 4.6580 4.6852 5.2473 5.4144 5.7086 5.8305 6.3386 6.3771 7.1256 7.2587 8.1185 8.2070 16.5290 16.5366 19.6993 19.7109 21.1605 21.1770 k = 0.5865-0.0500 0.4711 ( 772 PWs) bands (ev): -5.0972 -5.0854 3.0115 3.0465 4.2918 4.3410 4.6666 4.6951 5.2626 5.4280 5.7163 5.8358 6.3386 6.3801 7.0989 7.2341 8.0998 8.1957 16.5609 16.5690 19.7268 19.7383 21.1506 21.1673 k = 0.5817-0.0472 0.4789 ( 772 PWs) bands (ev): -5.0954 -5.0836 3.0218 3.0583 4.2716 4.3197 4.6739 4.7041 5.2795 5.4434 5.7252 5.8419 6.3385 6.3834 7.0688 7.2061 8.0807 8.1835 16.5954 16.6038 19.7580 19.7694 21.1396 21.1566 k = 0.5769-0.0444 0.4868 ( 770 PWs) bands (ev): -5.0935 -5.0816 3.0329 3.0712 4.2516 4.2986 4.6796 4.7119 5.2979 5.4605 5.7354 5.8486 6.3386 6.3869 7.0354 7.1746 8.0615 8.1706 16.6320 16.6407 19.7930 19.8042 21.1275 21.1449 k = 0.5721-0.0416 0.4946 ( 770 PWs) bands (ev): -5.0915 -5.0795 3.0449 3.0851 4.2319 4.2777 4.6837 4.7185 5.3174 5.4792 5.7468 5.8560 6.3386 6.3905 6.9990 7.1396 8.0427 8.1574 16.6702 16.6789 19.8317 19.8425 21.1146 21.1325 k = 0.5673-0.0389 0.5025 ( 770 PWs) bands (ev): -5.0894 -5.0773 3.0574 3.0997 4.2129 4.2573 4.6864 4.7238 5.3377 5.4993 5.7595 5.8640 6.3386 6.3942 6.9596 7.1015 8.0245 8.1441 16.7093 16.7179 19.8738 19.8842 21.1010 21.1194 k = 0.5625-0.0361 0.5103 ( 766 PWs) bands (ev): -5.0872 -5.0749 3.0706 3.1151 4.1947 4.2375 4.6878 4.7281 5.3584 5.5206 5.7739 5.8728 6.3386 6.3980 6.9178 7.0605 8.0072 8.1310 16.7487 16.7570 19.9193 19.9292 21.0868 21.1059 k = 0.5577-0.0333 0.5182 ( 766 PWs) bands (ev): -5.0849 -5.0726 3.0841 3.1308 4.1773 4.2184 4.6881 4.7312 5.3791 5.5426 5.7899 5.8825 6.3383 6.4015 6.8738 7.0169 7.9910 8.1182 16.7879 16.7958 19.9678 19.9770 21.0724 21.0922 k = 0.5529-0.0305 0.5260 ( 768 PWs) bands (ev): -5.0826 -5.0702 3.0977 3.1468 4.1609 4.2002 4.6873 4.7333 5.3993 5.5650 5.8078 5.8932 6.3377 6.4044 6.8284 6.9712 7.9760 8.1060 16.8262 16.8336 20.0189 20.0272 21.0580 21.0787 k = 0.5481-0.0278 0.5339 ( 768 PWs) bands (ev): -5.0804 -5.0678 3.1113 3.1629 4.1457 4.1829 4.6859 4.7346 5.4187 5.5873 5.8276 5.9052 6.3367 6.4066 6.7822 6.9242 7.9622 8.0944 16.8631 16.8699 20.0720 20.0792 21.0441 21.0658 k = 0.5433-0.0250 0.5417 ( 768 PWs) bands (ev): -5.0781 -5.0655 3.1246 3.1787 4.1318 4.1667 4.6839 4.7351 5.4368 5.6091 5.8495 5.9187 6.3350 6.4073 6.7362 6.8764 7.9498 8.0837 16.8981 16.9041 20.1264 20.1321 21.0310 21.0541 k = 0.5385-0.0222 0.5496 ( 768 PWs) bands (ev): -5.0760 -5.0632 3.1375 3.1940 4.1194 4.1516 4.6815 4.7351 5.4534 5.6299 5.8735 5.9340 6.3323 6.4056 6.6920 6.8287 7.9387 8.0738 16.9307 16.9360 20.1808 20.1848 21.0196 21.0440 k = 0.5337-0.0194 0.5574 ( 769 PWs) bands (ev): -5.0739 -5.0611 3.1497 3.2085 4.1084 4.1379 4.6789 4.7346 5.4682 5.6490 5.8994 5.9512 6.3280 6.4003 6.6513 6.7821 7.9290 8.0650 16.9604 16.9649 20.2340 20.2360 21.0105 21.0364 k = 0.5288-0.0167 0.5653 ( 766 PWs) bands (ev): -5.0720 -5.0591 3.1610 3.2221 4.0992 4.1256 4.6763 4.7338 5.4810 5.6660 5.9271 5.9708 6.3214 6.3899 6.6167 6.7378 7.9206 8.0572 16.9869 16.9907 20.2837 20.2845 21.0045 21.0319 k = 0.5240-0.0139 0.5731 ( 766 PWs) bands (ev): -5.0703 -5.0573 3.1711 3.2342 4.0916 4.1148 4.6738 4.7329 5.4917 5.6806 5.9561 5.9924 6.3111 6.3735 6.5901 6.6971 7.9135 8.0506 17.0099 17.0130 20.3269 20.3298 21.0023 21.0312 k = 0.5192-0.0111 0.5810 ( 769 PWs) bands (ev): -5.0688 -5.0558 3.1797 3.2446 4.0859 4.1056 4.6714 4.7319 5.5003 5.6924 5.9859 6.0159 6.2954 6.3527 6.5721 6.6617 7.9076 8.0450 17.0291 17.0315 20.3632 20.3684 21.0044 21.0343 k = 0.5144-0.0083 0.5888 ( 772 PWs) bands (ev): -5.0676 -5.0545 3.1867 3.2531 4.0819 4.0980 4.6695 4.7310 5.5068 5.7015 6.0153 6.0403 6.2726 6.3313 6.5612 6.6332 7.9030 8.0406 17.0443 17.0460 20.3915 20.3987 21.0103 21.0407 k = 0.5096-0.0056 0.5967 ( 772 PWs) bands (ev): -5.0666 -5.0535 3.1919 3.2594 4.0795 4.0923 4.6680 4.7304 5.5113 5.7078 6.0429 6.0635 6.2453 6.3126 6.5550 6.6131 7.8998 8.0374 17.0553 17.0564 20.4112 20.4197 21.0183 21.0488 k = 0.5048-0.0028 0.6045 ( 772 PWs) bands (ev): -5.0660 -5.0529 3.1951 3.2632 4.0786 4.0887 4.6671 4.7299 5.5140 5.7114 6.0658 6.0807 6.2207 6.2986 6.5515 6.6020 7.8978 8.0355 17.0620 17.0627 20.4223 20.4316 21.0256 21.0557 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -5.0658 -5.0527 3.1962 3.2645 4.0784 4.0873 4.6668 4.7298 5.5148 5.7126 6.0780 6.0846 6.2103 6.2929 6.5501 6.5987 7.8972 8.0349 17.0643 17.0648 20.4258 20.4353 21.0287 21.0587 k = 0.5000-0.0000 0.6124 ( 772 PWs) bands (ev): -5.0658 -5.0527 3.1962 3.2645 4.0784 4.0873 4.6668 4.7298 5.5148 5.7126 6.0780 6.0846 6.2103 6.2929 6.5501 6.5987 7.8972 8.0349 17.0643 17.0648 20.4258 20.4353 21.0287 21.0587 k = 0.5000 0.0057 0.6044 ( 772 PWs) bands (ev): -5.0663 -5.0531 3.1965 3.2649 4.0761 4.0869 4.6674 4.7301 5.5126 5.7097 6.0561 6.0804 6.2281 6.3052 6.5505 6.6016 7.8990 8.0367 17.0651 17.0660 20.4221 20.4314 21.0190 21.0497 k = 0.5000 0.0113 0.5964 ( 772 PWs) bands (ev): -5.0676 -5.0544 3.1975 3.2658 4.0701 4.0849 4.6690 4.7307 5.5059 5.7010 6.0202 6.0578 6.2682 6.3344 6.5521 6.6110 7.9045 8.0422 17.0679 17.0694 20.4106 20.4193 20.9925 21.0248 k = 0.5000 0.0170 0.5884 ( 772 PWs) bands (ev): -5.0698 -5.0567 3.1992 3.2674 4.0612 4.0808 4.6715 4.7316 5.4948 5.6869 5.9831 6.0287 6.3134 6.3699 6.5563 6.6286 7.9137 8.0512 17.0727 17.0749 20.3900 20.3976 20.9556 20.9895 k = 0.5000 0.0226 0.5804 ( 770 PWs) bands (ev): -5.0729 -5.0598 3.2016 3.2695 4.0500 4.0742 4.6744 4.7323 5.4793 5.6684 5.9482 6.0009 6.3525 6.4057 6.5666 6.6567 7.9265 8.0638 17.0796 17.0825 20.3588 20.3643 20.9157 20.9503 k = 0.5000 0.0283 0.5723 ( 768 PWs) bands (ev): -5.0768 -5.0637 3.2046 3.2722 4.0367 4.0654 4.6770 4.7324 5.4598 5.6466 5.9165 5.9774 6.3785 6.4373 6.5888 6.6961 7.9428 8.0798 17.0885 17.0921 20.3151 20.3177 20.8793 20.9133 k = 0.5000 0.0340 0.5643 ( 766 PWs) bands (ev): -5.0815 -5.0685 3.2081 3.2754 4.0218 4.0545 4.6787 4.7315 5.4370 5.6233 5.8882 5.9589 6.3916 6.4576 6.6281 6.7457 7.9625 8.0991 17.0995 17.1038 20.2568 20.2585 20.8504 20.8825 k = 0.5000 0.0396 0.5563 ( 772 PWs) bands (ev): -5.0871 -5.0742 3.2120 3.2789 4.0054 4.0417 4.6784 4.7287 5.4123 5.6000 5.8636 5.9446 6.3955 6.4662 6.6821 6.8029 7.9854 8.1215 17.1126 17.1176 20.1831 20.1888 20.8303 20.8598 k = 0.5000 0.0453 0.5483 ( 770 PWs) bands (ev): -5.0935 -5.0806 3.2164 3.2829 3.9880 4.0274 4.6756 4.7239 5.3873 5.5783 5.8427 5.9338 6.3934 6.4673 6.7453 6.8657 8.0115 8.1468 17.1277 17.1334 20.0984 20.1080 20.8188 20.8455 k = 0.5000 0.0509 0.5403 ( 770 PWs) bands (ev): -5.1006 -5.0878 3.2212 3.2871 3.9696 4.0117 4.6691 4.7161 5.3637 5.5592 5.8253 5.9256 6.3874 6.4641 6.8134 6.9323 8.0405 8.1750 17.1449 17.1512 20.0051 20.0181 20.8145 20.8386 k = 0.5000 0.0566 0.5323 ( 770 PWs) bands (ev): -5.1085 -5.0957 3.2263 3.2915 3.9507 3.9950 4.6586 4.7050 5.3431 5.5436 5.8108 5.9191 6.3786 6.4582 6.8845 7.0015 8.0723 8.2057 17.1640 17.1711 19.9055 19.9213 20.8161 20.8380 k = 0.5000 0.0623 0.5243 ( 770 PWs) bands (ev): -5.1170 -5.1043 3.2315 3.2959 3.9313 3.9774 4.6438 4.6900 5.3268 5.5319 5.7988 5.9140 6.3679 6.4506 6.9574 7.0724 8.1068 8.2389 17.1852 17.1929 19.8012 19.8193 20.8225 20.8425 k = 0.5000 0.0679 0.5163 ( 770 PWs) bands (ev): -5.1262 -5.1136 3.2367 3.3001 3.9118 3.9592 4.6247 4.6708 5.3156 5.5244 5.7888 5.9099 6.3559 6.4417 7.0314 7.1446 8.1437 8.2743 17.2083 17.2167 19.6937 19.7135 20.8329 20.8513 k = 0.5000 0.0736 0.5083 ( 770 PWs) bands (ev): -5.1359 -5.1235 3.2417 3.3041 3.8923 3.9407 4.6018 4.6475 5.3096 5.5210 5.7806 5.9065 6.3430 6.4319 7.1064 7.2176 8.1828 8.3116 17.2334 17.2425 19.5838 19.6050 20.8466 20.8637 k = 0.5000 0.0792 0.5003 ( 770 PWs) bands (ev): -5.1463 -5.1339 3.2465 3.3076 3.8731 3.9221 4.5755 4.6206 5.3088 5.5216 5.7736 5.9036 6.3294 6.4213 7.1819 7.2913 8.2240 8.3507 17.2603 17.2701 19.4725 19.4946 20.8633 20.8792 k = 0.5000 0.0849 0.4923 ( 770 PWs) bands (ev): -5.1572 -5.1449 3.2507 3.3103 3.8543 3.9036 4.5465 4.5906 5.3126 5.5256 5.7678 5.9010 6.3154 6.4103 7.2579 7.3654 8.2669 8.3914 17.2891 17.2995 19.3602 19.3830 20.8826 20.8975 k = 0.5000 0.0906 0.4843 ( 776 PWs) bands (ev): -5.1685 -5.1564 3.2542 3.3121 3.8363 3.8855 4.5153 4.5582 5.3202 5.5326 5.7627 5.8987 6.3011 6.3989 7.3342 7.4397 8.3114 8.4333 17.3195 17.3306 19.2473 19.2707 20.9043 20.9184 k = 0.5000 0.0962 0.4763 ( 776 PWs) bands (ev): -5.1803 -5.1683 3.2568 3.3126 3.8193 3.8680 4.4828 4.5242 5.3312 5.5421 5.7585 5.8967 6.2868 6.3873 7.4108 7.5143 8.3572 8.4764 17.3516 17.3633 19.1345 19.1582 20.9284 20.9416 k = 0.5000 0.1019 0.4683 ( 776 PWs) bands (ev): -5.1924 -5.1806 3.2583 3.3117 3.8036 3.8514 4.4494 4.4893 5.3447 5.5536 5.7550 5.8948 6.2726 6.3756 7.4876 7.5891 8.4041 8.5203 17.3851 17.3974 19.0219 19.0458 20.9546 20.9671 k = 0.5000 0.1075 0.4603 ( 778 PWs) bands (ev): -5.2049 -5.1933 3.2583 3.3090 3.7894 3.8359 4.4156 4.4541 5.3602 5.5665 5.7520 5.8930 6.2586 6.3639 7.5646 7.6639 8.4519 8.5649 17.4199 17.4328 18.9099 18.9338 20.9829 20.9948 k = 0.5000 0.1132 0.4523 ( 774 PWs) bands (ev): -5.2176 -5.2062 3.2567 3.3044 3.7771 3.8218 4.3820 4.4191 5.3771 5.5805 5.7498 5.8914 6.2450 6.3524 7.6419 7.7389 8.5003 8.6100 17.4557 17.4691 18.7990 18.8228 21.0134 21.0246 k = 0.5000 0.1189 0.4443 ( 776 PWs) bands (ev): -5.2305 -5.2193 3.2533 3.2975 3.7667 3.8094 4.3487 4.3846 5.3948 5.5948 5.7481 5.8897 6.2318 6.3409 7.7192 7.8138 8.5490 8.6552 17.4922 17.5060 18.6896 18.7131 21.0459 21.0565 k = 0.5000 0.1245 0.4363 ( 774 PWs) bands (ev): -5.2436 -5.2326 3.2478 3.2884 3.7584 3.7988 4.3163 4.3511 5.4132 5.6093 5.7471 5.8880 6.2191 6.3298 7.7967 7.8888 8.5979 8.7005 17.5287 17.5430 18.5822 18.6054 21.0805 21.0904 k = 0.5000 0.1302 0.4283 ( 774 PWs) bands (ev): -5.2568 -5.2461 3.2402 3.2770 3.7522 3.7902 4.2849 4.3186 5.4317 5.6234 5.7469 5.8863 6.2071 6.3189 7.8742 7.9638 8.6468 8.7456 17.5646 17.5791 18.4778 18.5004 21.1173 21.1265 k = 0.5000 0.1358 0.4203 ( 774 PWs) bands (ev): -5.2701 -5.2596 3.2303 3.2633 3.7482 3.7837 4.2546 4.2873 5.4502 5.6366 5.7476 5.8845 6.1958 6.3084 7.9518 8.0388 8.6953 8.7903 17.5985 17.6130 18.3776 18.3993 21.1561 21.1648 k = 0.5000 0.1415 0.4123 ( 782 PWs) bands (ev): -5.2834 -5.2732 3.2182 3.2474 3.7459 3.7790 4.2257 4.2574 5.4684 5.6486 5.7492 5.8824 6.1852 6.2982 8.0292 8.1135 8.7433 8.8344 17.6285 17.6425 18.2839 18.3042 21.1970 21.2051 k = 0.5000 0.1472 0.4042 ( 782 PWs) bands (ev): -5.2967 -5.2867 3.2042 3.2298 3.7457 3.7765 4.1982 4.2290 5.4862 5.6590 5.7522 5.8804 6.1757 6.2886 8.1066 8.1881 8.7907 8.8778 17.6511 17.6637 18.2007 18.2185 21.2402 21.2476 k = 0.5000 0.1528 0.3962 ( 776 PWs) bands (ev): -5.3098 -5.3001 3.1885 3.2106 3.7472 3.7759 4.1723 4.2022 5.5035 5.6678 5.7567 5.8784 6.1674 6.2796 8.1839 8.2625 8.8372 8.9203 17.6604 17.6705 18.1341 18.1478 21.2856 21.2924 k = 0.5000 0.1585 0.3882 ( 776 PWs) bands (ev): -5.3228 -5.3134 3.1711 3.1902 3.7500 3.7767 4.1480 4.1768 5.5200 5.6745 5.7623 5.8761 6.1600 6.2710 8.2608 8.3366 8.8827 8.9617 17.6486 17.6557 18.0918 18.0995 21.3332 21.3395 k = 0.5000 0.1641 0.3802 ( 778 PWs) bands (ev): -5.3356 -5.3266 3.1523 3.1687 3.7539 3.7789 4.1251 4.1529 5.5356 5.6795 5.7688 5.8737 6.1537 6.2629 8.3373 8.4101 8.9269 9.0020 17.6097 17.6171 18.0770 18.0783 21.3831 21.3888 k = 0.5000 0.1698 0.3722 ( 778 PWs) bands (ev): -5.3482 -5.3395 3.1326 3.1466 3.7587 3.7822 4.1039 4.1306 5.5503 5.6831 5.7759 5.8711 6.1486 6.2554 8.4132 8.4830 8.9699 9.0410 17.5479 17.5580 18.0812 18.0852 21.4352 21.4404 k = 0.5000 0.1755 0.3642 ( 776 PWs) bands (ev): -5.3605 -5.3521 3.1121 3.1240 3.7643 3.7864 4.0843 4.1098 5.5641 5.6856 5.7831 5.8683 6.1448 6.2486 8.4883 8.5551 9.0116 9.0786 17.4725 17.4848 18.1006 18.1080 21.4895 21.4944 k = 0.5000 0.1811 0.3562 ( 776 PWs) bands (ev): -5.3725 -5.3644 3.0912 3.1013 3.7704 3.7911 4.0663 4.0905 5.5769 5.6873 5.7902 5.8654 6.1420 6.2423 8.5625 8.6263 9.0516 9.1147 17.3903 17.4038 18.1298 18.1393 21.5459 21.5506 k = 0.5000 0.1868 0.3482 ( 776 PWs) bands (ev): -5.3841 -5.3764 3.0700 3.0787 3.7769 3.7962 4.0498 4.0727 5.5886 5.6885 5.7969 5.8624 6.1403 6.2366 8.6356 8.6962 9.0901 9.1492 17.3051 17.3193 18.1644 18.1751 21.6044 21.6090 k = 0.5000 0.1925 0.3402 ( 774 PWs) bands (ev): -5.3954 -5.3880 3.0490 3.0564 3.7835 3.8015 4.0349 4.0563 5.5993 5.6893 5.8030 5.8593 6.1397 6.2314 8.7074 8.7647 9.1268 9.1821 17.2194 17.2337 18.2018 18.2132 21.6648 21.6695 k = 0.5000 0.1981 0.3322 ( 774 PWs) bands (ev): -5.4061 -5.3992 3.0282 3.0345 3.7901 3.8067 4.0215 4.0413 5.6089 5.6898 5.8085 5.8562 6.1400 6.2267 8.7774 8.8316 9.1618 9.2132 17.1345 17.1487 18.2403 18.2521 21.7270 21.7319 k = 0.5000 0.2038 0.3242 ( 778 PWs) bands (ev): -5.4164 -5.4098 3.0079 3.0133 3.7965 3.8116 4.0096 4.0278 5.6175 5.6900 5.8132 5.8531 6.1410 6.2224 8.8456 8.8964 9.1949 9.2425 17.0513 17.0653 18.2790 18.2908 21.7907 21.7960 k = 0.5000 0.2094 0.3162 ( 776 PWs) bands (ev): -5.4262 -5.4200 2.9882 2.9928 3.8027 3.8162 3.9993 4.0157 5.6252 5.6901 5.8172 5.8501 6.1429 6.2188 8.9116 8.9590 9.2263 9.2701 16.9708 16.9843 18.3172 18.3288 21.8557 21.8614 k = 0.5000 0.2151 0.3082 ( 780 PWs) bands (ev): -5.4354 -5.4297 2.9694 2.9733 3.8083 3.8202 3.9903 4.0048 5.6319 5.6901 5.8206 5.8472 6.1453 6.2154 8.9751 9.0190 9.2558 9.2957 16.8933 16.9063 18.3543 18.3655 21.9216 21.9277 k = 0.5000 0.2208 0.3002 ( 780 PWs) bands (ev): -5.4441 -5.4387 2.9514 2.9549 3.8134 3.8236 3.9829 3.9955 5.6379 5.6900 5.8235 5.8445 6.1482 6.2125 9.0357 9.0760 9.2834 9.3196 16.8194 16.8318 18.3898 18.4006 21.9879 21.9944 k = 0.5000 0.2264 0.2922 ( 776 PWs) bands (ev): -5.4521 -5.4472 2.9346 2.9376 3.8179 3.8264 3.9770 3.9877 5.6432 5.6897 5.8258 5.8421 6.1515 6.2100 9.0932 9.1297 9.3093 9.3417 16.7496 16.7613 18.4235 18.4337 22.0541 22.0609 k = 0.5000 0.2321 0.2842 ( 778 PWs) bands (ev): -5.4596 -5.4550 2.9189 2.9215 3.8216 3.8285 3.9723 3.9811 5.6477 5.6892 5.8275 5.8398 6.1550 6.2077 9.1470 9.1797 9.3334 9.3619 16.6844 16.6953 18.4549 18.4645 22.1194 22.1264 k = 0.5000 0.2377 0.2762 ( 778 PWs) bands (ev): -5.4663 -5.4622 2.9045 2.9067 3.8246 3.8299 3.9687 3.9758 5.6518 5.6886 5.8289 5.8379 6.1586 6.2056 9.1969 9.2255 9.3558 9.3804 16.6240 16.6340 18.4841 18.4929 22.1830 22.1901 k = 0.5000 0.2434 0.2682 ( 778 PWs) bands (ev): -5.4724 -5.4687 2.8914 2.8933 3.8269 3.8308 3.9661 3.9716 5.6554 5.6879 5.8299 5.8362 6.1623 6.2036 9.2425 9.2668 9.3766 9.3971 16.5688 16.5780 18.5106 18.5186 22.2440 22.2510 k = 0.5000 0.2491 0.2602 ( 778 PWs) bands (ev): -5.4778 -5.4746 2.8797 2.8813 3.8285 3.8312 3.9644 3.9685 5.6586 5.6869 5.8306 5.8348 6.1660 6.2018 9.2833 9.3030 9.3960 9.4122 16.5193 16.5275 18.5344 18.5415 22.3012 22.3079 k = 0.5000 0.2547 0.2522 ( 782 PWs) bands (ev): -5.4825 -5.4797 2.8694 2.8708 3.8295 3.8313 3.9632 3.9662 5.6615 5.6856 5.8309 5.8336 6.1696 6.1999 9.3189 9.3337 9.4139 9.4259 16.4758 16.4829 18.5553 18.5615 22.3533 22.3596 k = 0.5000 0.2604 0.2441 ( 782 PWs) bands (ev): -5.4864 -5.4841 2.8607 2.8618 3.8301 3.8311 3.9626 3.9646 5.6642 5.6843 5.8312 5.8327 6.1730 6.1981 9.3488 9.3588 9.4305 9.4383 16.4385 16.4445 18.5733 18.5785 22.3989 22.4044 k = 0.5000 0.2660 0.2361 ( 782 PWs) bands (ev): -5.4896 -5.4877 2.8536 2.8544 3.8304 3.8309 3.9623 3.9636 5.6667 5.6828 5.8313 5.8321 6.1764 6.1963 9.3727 9.3784 9.4451 9.4496 16.4077 16.4126 18.5882 18.5924 22.4362 22.4405 k = 0.5000 0.2717 0.2281 ( 778 PWs) bands (ev): -5.4920 -5.4906 2.8480 2.8486 3.8305 3.8307 3.9623 3.9631 5.6691 5.6812 5.8314 5.8317 6.1796 6.1944 9.3904 9.3930 9.4572 9.4598 16.3837 16.3873 18.5999 18.6031 22.4631 22.4661 k = 0.5000 0.2774 0.2201 ( 778 PWs) bands (ev): -5.4937 -5.4928 2.8440 2.8444 3.8305 3.8305 3.9623 3.9628 5.6713 5.6794 5.8313 5.8314 6.1825 6.1924 9.4023 9.4031 9.4663 9.4681 16.3665 16.3690 18.6085 18.6107 22.4790 22.4808 k = 0.5000 0.2830 0.2121 ( 778 PWs) bands (ev): -5.4946 -5.4942 2.8417 2.8419 3.8304 3.8304 3.9624 3.9626 5.6735 5.6775 5.8313 5.8313 6.1853 6.1902 9.4089 9.4090 9.4722 9.4732 16.3565 16.3577 18.6139 18.6150 22.4862 22.4870 k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev): -5.4948 -5.4948 2.8410 2.8410 3.8303 3.8303 3.9624 3.9624 5.6756 5.6756 5.8312 5.8312 6.1878 6.1878 9.4110 9.4110 9.4746 9.4746 16.3535 16.3535 18.6161 18.6161 22.4883 22.4883 k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev): -5.4948 -5.4948 2.8410 2.8410 3.8303 3.8303 3.9624 3.9624 5.6756 5.6756 5.8312 5.8312 6.1878 6.1878 9.4110 9.4110 9.4746 9.4746 16.3535 16.3535 18.6161 18.6161 22.4883 22.4883 k = 0.4972 0.2870 0.2134 ( 778 PWs) bands (ev): -5.4946 -5.4942 2.8417 2.8419 3.8304 3.8304 3.9624 3.9626 5.6735 5.6775 5.8313 5.8313 6.1853 6.1902 9.4089 9.4089 9.4722 9.4732 16.3565 16.3577 18.6139 18.6150 22.4862 22.4870 k = 0.4943 0.2854 0.2227 ( 778 PWs) bands (ev): -5.4937 -5.4928 2.8440 2.8445 3.8305 3.8305 3.9623 3.9628 5.6713 5.6794 5.8313 5.8314 6.1825 6.1924 9.4023 9.4029 9.4663 9.4680 16.3666 16.3691 18.6085 18.6106 22.4790 22.4806 k = 0.4915 0.2838 0.2320 ( 780 PWs) bands (ev): -5.4920 -5.4906 2.8480 2.8487 3.8305 3.8307 3.9623 3.9631 5.6690 5.6812 5.8314 5.8316 6.1795 6.1944 9.3906 9.3924 9.4576 9.4592 16.3839 16.3876 18.5998 18.6030 22.4633 22.4655 k = 0.4886 0.2821 0.2412 ( 780 PWs) bands (ev): -5.4895 -5.4877 2.8537 2.8545 3.8305 3.8309 3.9624 3.9637 5.6667 5.6828 5.8315 5.8319 6.1764 6.1963 9.3732 9.3771 9.4470 9.4476 16.4081 16.4130 18.5880 18.5922 22.4366 22.4391 k = 0.4858 0.2805 0.2505 ( 782 PWs) bands (ev): -5.4863 -5.4840 2.8609 2.8620 3.8302 3.8311 3.9626 3.9646 5.6642 5.6843 5.8316 5.8323 6.1730 6.1982 9.3496 9.3565 9.4337 9.4351 16.4391 16.4451 18.5730 18.5782 22.3995 22.4021 k = 0.4830 0.2788 0.2598 ( 781 PWs) bands (ev): -5.4824 -5.4796 2.8697 2.8710 3.8297 3.8312 3.9633 3.9661 5.6615 5.6856 5.8317 5.8329 6.1695 6.2000 9.3200 9.3301 9.4183 9.4220 16.4767 16.4838 18.5549 18.5611 22.3539 22.3565 k = 0.4801 0.2772 0.2691 ( 779 PWs) bands (ev): -5.4777 -5.4744 2.8800 2.8816 3.8289 3.8311 3.9644 3.9683 5.6587 5.6867 5.8317 5.8336 6.1659 6.2018 9.2844 9.2980 9.4016 9.4076 16.5205 16.5286 18.5339 18.5410 22.3017 22.3041 k = 0.4773 0.2756 0.2784 ( 777 PWs) bands (ev): -5.4722 -5.4686 2.8917 2.8936 3.8275 3.8307 3.9661 3.9713 5.6557 5.6876 5.8317 5.8344 6.1622 6.2037 9.2434 9.2604 9.3837 9.3920 16.5702 16.5793 18.5100 18.5180 22.2443 22.2464 k = 0.4744 0.2739 0.2876 ( 779 PWs) bands (ev): -5.4661 -5.4620 2.9049 2.9071 3.8256 3.8299 3.9685 3.9752 5.6523 5.6882 5.8315 5.8351 6.1585 6.2057 9.1975 9.2176 9.3644 9.3749 16.6254 16.6354 18.4833 18.4922 22.1832 22.1849 k = 0.4716 0.2723 0.2969 ( 779 PWs) bands (ev): -5.4593 -5.4547 2.9194 2.9219 3.8231 3.8286 3.9718 3.9802 5.6486 5.6884 5.8312 5.8358 6.1549 6.2079 9.1469 9.1701 9.3438 9.3563 16.6857 16.6965 18.4543 18.4638 22.1194 22.1206 k = 0.4688 0.2706 0.3062 ( 781 PWs) bands (ev): -5.4518 -5.4469 2.9351 2.9379 3.8201 3.8269 3.9760 3.9862 5.6446 5.6884 5.8307 5.8363 6.1515 6.2103 9.0922 9.1182 9.3217 9.3362 16.7506 16.7621 18.4229 18.4331 22.0540 22.0546 k = 0.4659 0.2690 0.3155 ( 779 PWs) bands (ev): -5.4437 -5.4383 2.9519 2.9552 3.8169 3.8249 3.9814 3.9934 5.6401 5.6880 5.8300 5.8367 6.1484 6.2131 9.0337 9.0626 9.2983 9.3145 16.8195 16.8316 18.3898 18.4005 21.9878 21.9879 k = 0.4631 0.2674 0.3247 ( 781 PWs) bands (ev): -5.4350 -5.4292 2.9697 2.9734 3.8133 3.8226 3.9877 4.0015 5.6351 5.6873 5.8291 5.8365 6.1457 6.2162 8.9718 9.0033 9.2734 9.2913 16.8918 16.9043 18.3552 18.3662 21.9210 21.9217 k = 0.4602 0.2657 0.3340 ( 780 PWs) bands (ev): -5.4257 -5.4195 2.9884 2.9926 3.8097 3.8202 3.9951 4.0108 5.6296 5.6862 5.8280 5.8359 6.1437 6.2199 8.9068 8.9410 9.2470 9.2667 16.9665 16.9793 18.3198 18.3310 21.8547 21.8562 k = 0.4574 0.2641 0.3433 ( 778 PWs) bands (ev): -5.4159 -5.4093 3.0077 3.0124 3.8064 3.8178 4.0036 4.0212 5.6235 5.6848 5.8266 5.8346 6.1424 6.2241 8.8392 8.8760 9.2193 9.2406 17.0428 17.0557 18.2844 18.2956 21.7897 21.7919 k = 0.4545 0.2624 0.3526 ( 776 PWs) bands (ev): -5.4055 -5.3985 3.0274 3.0328 3.8035 3.8159 4.0131 4.0325 5.6168 5.6830 5.8250 5.8323 6.1421 6.2288 8.7692 8.8085 9.1903 9.2131 17.1194 17.1320 18.2502 18.2610 21.7262 21.7292 k = 0.4517 0.2608 0.3619 ( 776 PWs) bands (ev): -5.3947 -5.3873 3.0472 3.0533 3.8014 3.8144 4.0234 4.0446 5.6092 5.6809 5.8231 5.8289 6.1428 6.2342 8.6971 8.7390 9.1600 9.1844 17.1946 17.2065 18.2187 18.2287 21.6648 21.6685 k = 0.4489 0.2592 0.3711 ( 777 PWs) bands (ev): -5.3834 -5.3757 3.0669 3.0739 3.8004 3.8140 4.0346 4.0576 5.6009 5.6785 5.8210 5.8243 6.1447 6.2401 8.6234 8.6678 9.1285 9.1544 17.2661 17.2768 18.1921 18.2008 21.6056 21.6101 k = 0.4460 0.2575 0.3804 ( 777 PWs) bands (ev): -5.3718 -5.3637 3.0861 3.0940 3.8009 3.8149 4.0466 4.0713 5.5917 5.6758 5.8182 5.8187 6.1480 6.2469 8.5483 8.5952 9.0959 9.1233 17.3309 17.3397 18.1735 18.1801 21.5490 21.5543 k = 0.4432 0.2559 0.3897 ( 779 PWs) bands (ev): -5.3597 -5.3513 3.1044 3.1134 3.8033 3.8174 4.0594 4.0858 5.5815 5.6728 5.8106 5.8161 6.1527 6.2543 8.4721 8.5215 9.0623 9.0911 17.3852 17.3913 18.1666 18.1702 21.4951 21.5011 k = 0.4403 0.2542 0.3990 ( 779 PWs) bands (ev): -5.3474 -5.3387 3.1215 3.1318 3.8081 3.8221 4.0728 4.1009 5.5703 5.6694 5.8016 5.8134 6.1588 6.2625 8.3953 8.4471 9.0277 9.0579 17.4248 17.4274 18.1752 18.1753 21.4441 21.4509 k = 0.4375 0.2526 0.4082 ( 779 PWs) bands (ev): -5.3348 -5.3258 3.1369 3.1485 3.8157 3.8295 4.0869 4.1166 5.5581 5.6657 5.7911 5.8106 6.1663 6.2714 8.3180 8.3724 8.9923 9.0238 17.4454 17.4466 18.1979 18.2021 21.3961 21.4035 k = 0.4347 0.2510 0.4175 ( 776 PWs) bands (ev): -5.3220 -5.3126 3.1502 3.1634 3.8266 3.8400 4.1015 4.1328 5.5448 5.6617 5.7793 5.8077 6.1751 6.2809 8.2408 8.2976 8.9561 8.9889 17.4452 17.4498 18.2390 18.2470 21.3512 21.3594 k = 0.4318 0.2493 0.4268 ( 776 PWs) bands (ev): -5.3090 -5.2994 3.1612 3.1759 3.8409 3.8538 4.1166 4.1495 5.5304 5.6571 5.7663 5.8048 6.1852 6.2911 8.1637 8.2230 8.9192 8.9533 17.4289 17.4363 18.2963 18.3073 21.3095 21.3183 k = 0.4290 0.2477 0.4361 ( 776 PWs) bands (ev): -5.2959 -5.2860 3.1696 3.1859 3.8589 3.8713 4.1321 4.1666 5.5147 5.6519 5.7524 5.8020 6.1964 6.3019 8.0872 8.1490 8.8817 8.9171 17.4003 17.4097 18.3660 18.3793 21.2710 21.2804 k = 0.4261 0.2460 0.4454 ( 774 PWs) bands (ev): -5.2827 -5.2726 3.1752 3.1932 3.8809 3.8925 4.1480 4.1840 5.4980 5.6457 5.7381 5.7993 6.2086 6.3132 8.0116 8.0759 8.8438 8.8804 17.3625 17.3732 18.4446 18.4595 21.2359 21.2459 k = 0.4233 0.2444 0.4546 ( 775 PWs) bands (ev): -5.2696 -5.2592 3.1780 3.1976 3.9067 3.9177 4.1642 4.2017 5.4800 5.6380 5.7237 5.7967 6.2216 6.3247 7.9372 8.0041 8.8054 8.8432 17.3183 17.3297 18.5289 18.5449 21.2041 21.2147 k = 0.4205 0.2427 0.4639 ( 773 PWs) bands (ev): -5.2565 -5.2459 3.1780 3.1992 3.9363 3.9467 4.1807 4.2197 5.4610 5.6284 5.7104 5.7944 6.2353 6.3366 7.8642 7.9338 8.7668 8.8056 17.2696 17.2813 18.6165 18.6332 21.1758 21.1870 k = 0.4176 0.2411 0.4732 ( 771 PWs) bands (ev): -5.2434 -5.2327 3.1756 3.1982 3.9694 3.9793 4.1975 4.2378 5.4409 5.6161 5.6986 5.7924 6.2494 6.3485 7.7932 7.8654 8.7279 8.7679 17.2177 17.2296 18.7055 18.7226 21.1510 21.1627 k = 0.4148 0.2395 0.4825 ( 771 PWs) bands (ev): -5.2306 -5.2197 3.1707 3.1946 4.0058 4.0153 4.2143 4.2559 5.4197 5.6009 5.6890 5.7907 6.2638 6.3602 7.7243 7.7993 8.6890 8.7300 17.1639 17.1757 18.7944 18.8116 21.1299 21.1421 k = 0.4119 0.2378 0.4918 ( 777 PWs) bands (ev): -5.2180 -5.2069 3.1637 3.1888 4.0451 4.0542 4.2312 4.2739 5.3976 5.5828 5.6814 5.7892 6.2782 6.3716 7.6579 7.7358 8.6501 8.6920 17.1087 17.1202 18.8819 18.8992 21.1125 21.1252 k = 0.4091 0.2362 0.5010 ( 775 PWs) bands (ev): -5.2057 -5.1945 3.1549 3.1810 4.0870 4.0959 4.2483 4.2919 5.3749 5.5625 5.6758 5.7882 6.2925 6.3825 7.5945 7.6755 8.6113 8.6541 17.0527 17.0639 18.9673 18.9844 21.0989 21.1122 k = 0.4062 0.2345 0.5103 ( 777 PWs) bands (ev): -5.1938 -5.1824 3.1444 3.1713 4.1310 4.1395 4.2655 4.3097 5.3517 5.5406 5.6717 5.7876 6.3062 6.3924 7.5345 7.6186 8.5726 8.6164 16.9964 17.0071 19.0494 19.0662 21.0891 21.1029 k = 0.4034 0.2329 0.5196 ( 777 PWs) bands (ev): -5.1823 -5.1708 3.1325 3.1602 4.1768 4.1845 4.2832 4.3274 5.3281 5.5177 5.6688 5.7874 6.3192 6.4012 7.4782 7.5657 8.5344 8.5789 16.9402 16.9503 19.1275 19.1441 21.0833 21.0975 k = 0.4006 0.2313 0.5289 ( 773 PWs) bands (ev): -5.1713 -5.1597 3.1195 3.1478 4.2236 4.2296 4.3020 4.3448 5.3047 5.4944 5.6670 5.7877 6.3311 6.4086 7.4261 7.5172 8.4966 8.5419 16.8842 16.8937 19.2011 19.2173 21.0815 21.0961 k = 0.3977 0.2296 0.5381 ( 773 PWs) bands (ev): -5.1608 -5.1492 3.1053 3.1341 4.2710 4.2719 4.3243 4.3620 5.2815 5.4712 5.6659 5.7885 6.3415 6.4140 7.3787 7.4735 8.4594 8.5053 16.8287 16.8376 19.2695 19.2852 21.0834 21.0984 k = 0.3949 0.2280 0.5474 ( 773 PWs) bands (ev): -5.1509 -5.1392 3.0903 3.1194 4.3053 4.3180 4.3555 4.3792 5.2592 5.4485 5.6657 5.7897 6.3501 6.4172 7.3365 7.4351 8.4229 8.4694 16.7738 16.7820 19.3323 19.3475 21.0889 21.1043 k = 0.3920 0.2263 0.5567 ( 773 PWs) bands (ev): -5.1417 -5.1300 3.0745 3.1039 4.3281 4.3623 4.3965 4.3982 5.2382 5.4272 5.6661 5.7915 6.3565 6.4179 7.2999 7.4025 8.3871 8.4342 16.7197 16.7272 19.3893 19.4039 21.0979 21.1136 k = 0.3892 0.2247 0.5660 ( 771 PWs) bands (ev): -5.1332 -5.1216 3.0582 3.0877 4.3457 4.3959 4.4261 4.4413 5.2195 5.4078 5.6673 5.7938 6.3603 6.4159 7.2693 7.3759 8.3523 8.3997 16.6665 16.6733 19.4402 19.4544 21.1099 21.1257 k = 0.3864 0.2231 0.5753 ( 772 PWs) bands (ev): -5.1256 -5.1140 3.0413 3.0708 4.3607 4.4153 4.4651 4.4855 5.2038 5.3912 5.6692 5.7965 6.3614 6.4110 7.2450 7.3555 8.3185 8.3663 16.6143 16.6203 19.4852 19.4989 21.1243 21.1403 k = 0.3835 0.2214 0.5845 ( 772 PWs) bands (ev): -5.1188 -5.1072 3.0240 3.0535 4.3744 4.4299 4.5051 4.5272 5.1923 5.3784 5.6718 5.7997 6.3597 6.4033 7.2273 7.3415 8.2859 8.3339 16.5632 16.5683 19.5244 19.5375 21.1406 21.1567 k = 0.3807 0.2198 0.5938 ( 770 PWs) bands (ev): -5.1129 -5.1014 3.0065 3.0357 4.3869 4.4426 4.5420 4.5644 5.1864 5.3701 5.6751 5.8034 6.3552 6.3930 7.2162 7.3338 8.2546 8.3027 16.5131 16.5174 19.5580 19.5707 21.1582 21.1742 k = 0.3778 0.2181 0.6031 ( 770 PWs) bands (ev): -5.1080 -5.0966 2.9887 3.0177 4.3983 4.4539 4.5741 4.5955 5.1874 5.3675 5.6790 5.8075 6.3483 6.3805 7.2115 7.3321 8.2247 8.2728 16.4641 16.4677 19.5864 19.5988 21.1763 21.1921 k = 0.3750 0.2165 0.6124 ( 762 PWs) bands (ev): -5.1042 -5.0928 2.9708 2.9994 4.4089 4.4641 4.6002 4.6191 5.1966 5.3712 5.6838 5.8122 6.3396 6.3664 7.2130 7.3361 8.1964 8.2444 16.4163 16.4191 19.6102 19.6222 21.1942 21.2098 k = 0.6250-0.0722 0.4082 ( 762 PWs) bands (ev): -5.1042 -5.0928 2.9708 2.9994 4.4089 4.4641 4.6002 4.6191 5.1966 5.3712 5.6838 5.8122 6.3396 6.3664 7.2130 7.3361 8.1964 8.2444 16.4163 16.4191 19.6102 19.6222 21.1942 21.2098 k = 0.6202-0.0805 0.4082 ( 770 PWs) bands (ev): -5.0989 -5.0878 2.9404 2.9682 4.4255 4.4797 4.6358 4.6482 5.2230 5.3855 5.6923 5.8199 6.3246 6.3424 7.2208 7.3474 8.1501 8.1978 16.3367 16.3381 19.6435 19.6550 21.2233 21.2385 k = 0.6154-0.0888 0.4082 ( 770 PWs) bands (ev): -5.0942 -5.0833 2.9103 2.9372 4.4421 4.4952 4.6652 4.6696 5.2572 5.4049 5.7016 5.8278 6.3130 6.3213 7.2290 7.3591 8.1047 8.1521 16.2577 16.2578 19.6708 19.6818 21.2516 21.2662 k = 0.6106-0.0972 0.4082 ( 770 PWs) bands (ev): -5.0900 -5.0794 2.8806 2.9066 4.4586 4.5105 4.6844 4.6886 5.2972 5.4279 5.7119 5.8357 6.3033 6.3052 7.2377 7.3709 8.0601 8.1071 16.1782 16.1794 19.6919 19.7025 21.2788 21.2930 k = 0.6058-0.1055 0.4082 ( 770 PWs) bands (ev): -5.0863 -5.0760 2.8513 2.8764 4.4750 4.5255 4.6939 4.7066 5.3406 5.4528 5.7233 5.8436 6.2890 6.3019 7.2466 7.3828 8.0166 8.0631 16.0995 16.1020 19.7071 19.7172 21.3051 21.3186 k = 0.6010-0.1138 0.4082 ( 764 PWs) bands (ev): -5.0831 -5.0730 2.8227 2.8467 4.4913 4.5402 4.6996 4.7201 5.3854 5.4776 5.7363 5.8516 6.2794 6.3038 7.2558 7.3947 7.9741 8.0200 16.0218 16.0254 19.7164 19.7262 21.3303 21.3431 k = 0.5962-0.1221 0.4082 ( 764 PWs) bands (ev): -5.0803 -5.0706 2.7947 2.8176 4.5072 4.5544 4.7024 4.7298 5.4290 5.5004 5.7504 5.8593 6.2749 6.3114 7.2650 7.4065 7.9328 7.9781 15.9452 15.9499 19.7203 19.7297 21.3543 21.3665 k = 0.5913-0.1305 0.4082 ( 764 PWs) bands (ev): -5.0779 -5.0685 2.7675 2.7893 4.5230 4.5681 4.7034 4.7366 5.4697 5.5199 5.7656 5.8668 6.2766 6.3254 7.2743 7.4181 7.8927 7.9373 15.8699 15.8756 19.7190 19.7281 21.3772 21.3887 k = 0.5865-0.1388 0.4082 ( 764 PWs) bands (ev): -5.0758 -5.0668 2.7411 2.7618 4.5385 4.5813 4.7033 4.7412 5.5057 5.5354 5.7814 5.8740 6.2850 6.3460 7.2836 7.4294 7.8540 7.8977 15.7960 15.8025 19.7131 19.7219 21.3990 21.4098 k = 0.5817-0.1471 0.4082 ( 768 PWs) bands (ev): -5.0740 -5.0654 2.7157 2.7352 4.5536 4.5940 4.7025 4.7442 5.5359 5.5465 5.7968 5.8807 6.3005 6.3730 7.2929 7.4403 7.8167 7.8595 15.7237 15.7310 19.7031 19.7115 21.4196 21.4297 k = 0.5769-0.1554 0.4082 ( 768 PWs) bands (ev): -5.0726 -5.0644 2.6913 2.7097 4.5684 4.6059 4.7014 4.7461 5.5541 5.5599 5.8114 5.8869 6.3230 6.4058 7.3023 7.4509 7.7809 7.8227 15.6532 15.6612 19.6895 19.6977 21.4391 21.4484 k = 0.5721-0.1638 0.4082 ( 768 PWs) bands (ev): -5.0713 -5.0636 2.6681 2.6852 4.5827 4.6172 4.7002 4.7473 5.5584 5.5776 5.8247 5.8927 6.3521 6.4435 7.3117 7.4610 7.7468 7.7874 15.5848 15.5934 19.6731 19.6809 21.4575 21.4661 k = 0.5673-0.1721 0.4082 ( 768 PWs) bands (ev): -5.0703 -5.0630 2.6460 2.6620 4.5966 4.6276 4.6992 4.7481 5.5602 5.5895 5.8367 5.8979 6.3865 6.4847 7.3211 7.4705 7.7144 7.7538 15.5188 15.5278 19.6544 19.6619 21.4747 21.4826 k = 0.5625-0.1804 0.4082 ( 768 PWs) bands (ev): -5.0695 -5.0626 2.6252 2.6400 4.6099 4.6372 4.6984 4.7486 5.5601 5.5964 5.8473 5.9026 6.4250 6.5281 7.3307 7.4793 7.6838 7.7218 15.4554 15.4646 19.6341 19.6411 21.4908 21.4981 k = 0.5577-0.1887 0.4082 ( 776 PWs) bands (ev): -5.0688 -5.0624 2.6056 2.6192 4.6224 4.6458 4.6979 4.7490 5.5583 5.5990 5.8566 5.9068 6.4662 6.5722 7.3404 7.4873 7.6551 7.6916 15.3948 15.4043 19.6127 19.6193 21.5058 21.5124 k = 0.5529-0.1971 0.4082 ( 776 PWs) bands (ev): -5.0683 -5.0623 2.5875 2.6000 4.6343 4.6536 4.6979 4.7494 5.5557 5.5985 5.8651 5.9107 6.5089 6.6160 7.3505 7.4945 7.6286 7.6633 15.3376 15.3470 19.5908 19.5970 21.5197 21.5256 k = 0.5481-0.2054 0.4082 ( 776 PWs) bands (ev): -5.0678 -5.0624 2.5708 2.5822 4.6454 4.6604 4.6984 4.7497 5.5525 5.5956 5.8728 5.9141 6.5519 6.6581 7.3609 7.5008 7.6042 7.6370 15.2839 15.2931 19.5691 19.5748 21.5324 21.5377 k = 0.5433-0.2137 0.4082 ( 776 PWs) bands (ev): -5.0674 -5.0625 2.5557 2.5658 4.6555 4.6664 4.6996 4.7500 5.5491 5.5910 5.8798 5.9172 6.5941 6.6976 7.3718 7.5059 7.5820 7.6128 15.2341 15.2430 19.5480 19.5532 21.5440 21.5488 k = 0.5385-0.2221 0.4082 ( 776 PWs) bands (ev): -5.0671 -5.0627 2.5420 2.5510 4.6642 4.6715 4.7015 4.7502 5.5457 5.5852 5.8863 5.9197 6.6347 6.7335 7.3832 7.5097 7.5622 7.5907 15.1886 15.1969 19.5279 19.5326 21.5545 21.5586 k = 0.5337-0.2304 0.4082 ( 776 PWs) bands (ev): -5.0669 -5.0630 2.5300 2.5378 4.6714 4.6757 4.7045 4.7503 5.5426 5.5788 5.8923 5.9218 6.6730 6.7651 7.3951 7.5122 7.5448 7.5709 15.1476 15.1553 19.5093 19.5135 21.5638 21.5674 k = 0.5288-0.2387 0.4082 ( 778 PWs) bands (ev): -5.0667 -5.0633 2.5195 2.5262 4.6769 4.6791 4.7086 4.7500 5.5399 5.5722 5.8978 5.9233 6.7084 6.7918 7.4075 7.5128 7.5303 7.5534 15.1114 15.1183 19.4926 19.4962 21.5719 21.5749 k = 0.5240-0.2470 0.4082 ( 778 PWs) bands (ev): -5.0664 -5.0637 2.5107 2.5163 4.6808 4.6819 4.7135 4.7495 5.5379 5.5656 5.9028 5.9243 6.7404 6.8133 7.4201 7.5103 7.5197 7.5382 15.0804 15.0864 19.4779 19.4809 21.5788 21.5814 k = 0.5192-0.2554 0.4082 ( 784 PWs) bands (ev): -5.0663 -5.0640 2.5035 2.5080 4.6834 4.6840 4.7189 4.7484 5.5365 5.5591 5.9073 5.9246 6.7687 6.8293 7.4328 7.5034 7.5144 7.5254 15.0548 15.0597 19.4656 19.4681 21.5846 21.5866 k = 0.5144-0.2637 0.4082 ( 784 PWs) bands (ev): -5.0660 -5.0644 2.4980 2.5014 4.6852 4.6855 4.7244 4.7468 5.5361 5.5533 5.9114 5.9245 6.7929 6.8398 7.4453 7.4959 7.5106 7.5153 15.0348 15.0386 19.4560 19.4578 21.5891 21.5906 k = 0.5096-0.2720 0.4082 ( 784 PWs) bands (ev): -5.0658 -5.0647 2.4943 2.4965 4.6864 4.6866 4.7296 4.7447 5.5366 5.5483 5.9150 5.9237 6.8128 6.8448 7.4570 7.4895 7.5066 7.5078 15.0206 15.0232 19.4490 19.4503 21.5924 21.5934 k = 0.5048-0.2803 0.4082 ( 784 PWs) bands (ev): -5.0656 -5.0650 2.4923 2.4934 4.6871 4.6872 4.7343 4.7419 5.5381 5.5440 5.9180 5.9224 6.8282 6.8444 7.4676 7.4835 7.5031 7.5031 15.0123 15.0136 19.4449 19.4456 21.5945 21.5950 k = 0.5000-0.2887 0.4082 ( 790 PWs) bands (ev): -5.0653 -5.0653 2.4919 2.4919 4.6873 4.6873 4.7383 4.7383 5.5405 5.5405 5.9203 5.9203 6.8387 6.8387 7.4764 7.4764 7.5015 7.5015 15.0099 15.0099 19.4438 19.4438 21.5953 21.5953 Writing output data file CuN.save init_run : 2.22s CPU 13.21s WALL ( 1 calls) electrons : 142.16s CPU 146.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.30s CPU 1.26s WALL ( 1 calls) Called by electrons: c_bands : 142.07s CPU 146.23s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.76s WALL ( 1 calls) v_h : 0.00s CPU 0.08s WALL ( 1 calls) v_xc : 0.06s CPU 0.43s WALL ( 1 calls) newd : 0.29s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 472 calls) cegterg : 74.82s CPU 75.35s WALL ( 472 calls) Called by sum_band: Called by *egterg: h_psi : 36.40s CPU 39.92s WALL ( 8264 calls) s_psi : 2.02s CPU 2.74s WALL ( 8264 calls) g_psi : 0.02s CPU 0.06s WALL ( 7320 calls) cdiaghg : 26.36s CPU 25.33s WALL ( 7792 calls) cegterg:over : 7.23s CPU 5.86s WALL ( 7320 calls) cegterg:upda : 0.10s CPU 0.47s WALL ( 7320 calls) cegterg:last : 0.07s CPU 0.35s WALL ( 1416 calls) Called by h_psi: h_psi:vloc : 30.44s CPU 34.10s WALL ( 8264 calls) h_psi:vnl : 5.95s CPU 5.77s WALL ( 8264 calls) add_vuspsi : 0.71s CPU 1.81s WALL ( 8264 calls) General routines calbec : 5.22s CPU 3.89s WALL ( 8264 calls) fft : 0.60s CPU 1.35s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 29.10s CPU 32.70s WALL ( 452356 calls) interpolate : 0.12s CPU 0.18s WALL ( 4 calls) davcio : 0.01s CPU 1.99s WALL ( 944 calls) Parallel routines fft_scatter : 20.66s CPU 23.81s WALL ( 452379 calls) PWSCF : 2m56.62s CPU 4m43.42s WALL This run was terminated on: 7:26:29 26Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=