Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 7:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Pt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 8 3 427 95 18 Max 23 9 4 432 105 21 Sum 823 313 109 15473 3647 701 bravais-lattice index = 14 lattice parameter (alat) = 5.2375 a.u. unit-cell volume = 101.5925 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.237518 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pt 10.00 195.08400 Pt( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 532 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018797 k( 2) = ( 0.0061728 -0.0035639 0.0050401), wk = 0.0018797 k( 3) = ( 0.0123457 -0.0071278 0.0100802), wk = 0.0018797 k( 4) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0018797 k( 5) = ( 0.0246914 -0.0142556 0.0201604), wk = 0.0018797 k( 6) = ( 0.0308642 -0.0178195 0.0252005), wk = 0.0018797 k( 7) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0018797 k( 8) = ( 0.0432099 -0.0249472 0.0352807), wk = 0.0018797 k( 9) = ( 0.0493827 -0.0285111 0.0403208), wk = 0.0018797 k( 10) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0018797 k( 11) = ( 0.0617284 -0.0356389 0.0504010), wk = 0.0018797 k( 12) = ( 0.0679012 -0.0392028 0.0554411), wk = 0.0018797 k( 13) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0018797 k( 14) = ( 0.0802469 -0.0463306 0.0655213), wk = 0.0018797 k( 15) = ( 0.0864198 -0.0498945 0.0705614), wk = 0.0018797 k( 16) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0018797 k( 17) = ( 0.0987654 -0.0570222 0.0806416), wk = 0.0018797 k( 18) = ( 0.1049383 -0.0605861 0.0856817), wk = 0.0018797 k( 19) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0018797 k( 20) = ( 0.1172839 -0.0677139 0.0957619), wk = 0.0018797 k( 21) = ( 0.1234568 -0.0712778 0.1008020), wk = 0.0018797 k( 22) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0018797 k( 23) = ( 0.1358025 -0.0784056 0.1108823), wk = 0.0018797 k( 24) = ( 0.1419753 -0.0819695 0.1159224), wk = 0.0018797 k( 25) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0018797 k( 26) = ( 0.1543210 -0.0890973 0.1260026), wk = 0.0018797 k( 27) = ( 0.1604938 -0.0926612 0.1310427), wk = 0.0018797 k( 28) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0018797 k( 29) = ( 0.1728395 -0.0997889 0.1411229), wk = 0.0018797 k( 30) = ( 0.1790123 -0.1033528 0.1461630), wk = 0.0018797 k( 31) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0018797 k( 32) = ( 0.1913580 -0.1104806 0.1562432), wk = 0.0018797 k( 33) = ( 0.1975309 -0.1140445 0.1612833), wk = 0.0018797 k( 34) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0018797 k( 35) = ( 0.2098765 -0.1211723 0.1713635), wk = 0.0018797 k( 36) = ( 0.2160494 -0.1247362 0.1764036), wk = 0.0018797 k( 37) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0018797 k( 38) = ( 0.2283951 -0.1318639 0.1864838), wk = 0.0018797 k( 39) = ( 0.2345679 -0.1354278 0.1915239), wk = 0.0018797 k( 40) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0018797 k( 41) = ( 0.2469136 -0.1425556 0.2016041), wk = 0.0018797 k( 42) = ( 0.2530864 -0.1461195 0.2066442), wk = 0.0018797 k( 43) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0018797 k( 44) = ( 0.2654321 -0.1532473 0.2167244), wk = 0.0018797 k( 45) = ( 0.2716049 -0.1568112 0.2217645), wk = 0.0018797 k( 46) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0018797 k( 47) = ( 0.2839506 -0.1639390 0.2318447), wk = 0.0018797 k( 48) = ( 0.2901235 -0.1675029 0.2368848), wk = 0.0018797 k( 49) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0018797 k( 50) = ( 0.3024691 -0.1746306 0.2469650), wk = 0.0018797 k( 51) = ( 0.3086420 -0.1781945 0.2520051), wk = 0.0018797 k( 52) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0018797 k( 53) = ( 0.3209877 -0.1853223 0.2620853), wk = 0.0018797 k( 54) = ( 0.3271605 -0.1888862 0.2671254), wk = 0.0018797 k( 55) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0018797 k( 56) = ( 0.3395062 -0.1960140 0.2772056), wk = 0.0018797 k( 57) = ( 0.3456790 -0.1995779 0.2822457), wk = 0.0018797 k( 58) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0018797 k( 59) = ( 0.3580247 -0.2067057 0.2923259), wk = 0.0018797 k( 60) = ( 0.3641975 -0.2102695 0.2973660), wk = 0.0018797 k( 61) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0018797 k( 62) = ( 0.3765432 -0.2173973 0.3074462), wk = 0.0018797 k( 63) = ( 0.3827160 -0.2209612 0.3124863), wk = 0.0018797 k( 64) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0018797 k( 65) = ( 0.3950617 -0.2280890 0.3225666), wk = 0.0018797 k( 66) = ( 0.4012346 -0.2316529 0.3276067), wk = 0.0018797 k( 67) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0018797 k( 68) = ( 0.4135802 -0.2387807 0.3376869), wk = 0.0018797 k( 69) = ( 0.4197531 -0.2423446 0.3427270), wk = 0.0018797 k( 70) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0018797 k( 71) = ( 0.4320988 -0.2494723 0.3528072), wk = 0.0018797 k( 72) = ( 0.4382716 -0.2530362 0.3578473), wk = 0.0018797 k( 73) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0018797 k( 74) = ( 0.4506173 -0.2601640 0.3679275), wk = 0.0018797 k( 75) = ( 0.4567901 -0.2637279 0.3729676), wk = 0.0018797 k( 76) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0018797 k( 77) = ( 0.4691358 -0.2708557 0.3830478), wk = 0.0018797 k( 78) = ( 0.4753086 -0.2744196 0.3880879), wk = 0.0018797 k( 79) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0018797 k( 80) = ( 0.4876543 -0.2815474 0.3981681), wk = 0.0018797 k( 81) = ( 0.4938272 -0.2851112 0.4032082), wk = 0.0018797 k( 82) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0018797 k( 83) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0018797 k( 84) = ( 0.5000000 -0.2816343 0.4132269), wk = 0.0018797 k( 85) = ( 0.5000000 -0.2745934 0.4182056), wk = 0.0018797 k( 86) = ( 0.5000000 -0.2675526 0.4231842), wk = 0.0018797 k( 87) = ( 0.5000000 -0.2605117 0.4281628), wk = 0.0018797 k( 88) = ( 0.5000000 -0.2534709 0.4331415), wk = 0.0018797 k( 89) = ( 0.5000000 -0.2464300 0.4381201), wk = 0.0018797 k( 90) = ( 0.5000000 -0.2393891 0.4430988), wk = 0.0018797 k( 91) = ( 0.5000000 -0.2323483 0.4480774), wk = 0.0018797 k( 92) = ( 0.5000000 -0.2253074 0.4530560), wk = 0.0018797 k( 93) = ( 0.5000000 -0.2182666 0.4580347), wk = 0.0018797 k( 94) = ( 0.5000000 -0.2112257 0.4630133), wk = 0.0018797 k( 95) = ( 0.5000000 -0.2041849 0.4679919), wk = 0.0018797 k( 96) = ( 0.5000000 -0.1971440 0.4729706), wk = 0.0018797 k( 97) = ( 0.5000000 -0.1901031 0.4779492), wk = 0.0018797 k( 98) = ( 0.5000000 -0.1830623 0.4829279), wk = 0.0018797 k( 99) = ( 0.5000000 -0.1760214 0.4879065), wk = 0.0018797 k( 100) = ( 0.5000000 -0.1689806 0.4928851), wk = 0.0018797 k( 101) = ( 0.5000000 -0.1619397 0.4978638), wk = 0.0018797 k( 102) = ( 0.5000000 -0.1548989 0.5028424), wk = 0.0018797 k( 103) = ( 0.5000000 -0.1478580 0.5078210), wk = 0.0018797 k( 104) = ( 0.5000000 -0.1408171 0.5127997), wk = 0.0018797 k( 105) = ( 0.5000000 -0.1337763 0.5177783), wk = 0.0018797 k( 106) = ( 0.5000000 -0.1267354 0.5227570), wk = 0.0018797 k( 107) = ( 0.5000000 -0.1196946 0.5277356), wk = 0.0018797 k( 108) = ( 0.5000000 -0.1126537 0.5327142), wk = 0.0018797 k( 109) = ( 0.5000000 -0.1056128 0.5376929), wk = 0.0018797 k( 110) = ( 0.5000000 -0.0985720 0.5426715), wk = 0.0018797 k( 111) = ( 0.5000000 -0.0915311 0.5476501), wk = 0.0018797 k( 112) = ( 0.5000000 -0.0844903 0.5526288), wk = 0.0018797 k( 113) = ( 0.5000000 -0.0774494 0.5576074), wk = 0.0018797 k( 114) = ( 0.5000000 -0.0704086 0.5625861), wk = 0.0018797 k( 115) = ( 0.5000000 -0.0633677 0.5675647), wk = 0.0018797 k( 116) = ( 0.5000000 -0.0563269 0.5725433), wk = 0.0018797 k( 117) = ( 0.5000000 -0.0492860 0.5775220), wk = 0.0018797 k( 118) = ( 0.5000000 -0.0422451 0.5825006), wk = 0.0018797 k( 119) = ( 0.5000000 -0.0352043 0.5874793), wk = 0.0018797 k( 120) = ( 0.5000000 -0.0281634 0.5924579), wk = 0.0018797 k( 121) = ( 0.5000000 -0.0211226 0.5974365), wk = 0.0018797 k( 122) = ( 0.5000000 -0.0140817 0.6024152), wk = 0.0018797 k( 123) = ( 0.5000000 -0.0070409 0.6073938), wk = 0.0018797 k( 124) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0018797 k( 125) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0018797 k( 126) = ( 0.4956897 0.0074657 0.6123724), wk = 0.0018797 k( 127) = ( 0.4913793 0.0149315 0.6123724), wk = 0.0018797 k( 128) = ( 0.4870690 0.0223972 0.6123724), wk = 0.0018797 k( 129) = ( 0.4827586 0.0298629 0.6123724), wk = 0.0018797 k( 130) = ( 0.4784483 0.0373287 0.6123724), wk = 0.0018797 k( 131) = ( 0.4741379 0.0447944 0.6123724), wk = 0.0018797 k( 132) = ( 0.4698276 0.0522601 0.6123724), wk = 0.0018797 k( 133) = ( 0.4655172 0.0597259 0.6123724), wk = 0.0018797 k( 134) = ( 0.4612069 0.0671916 0.6123724), wk = 0.0018797 k( 135) = ( 0.4568966 0.0746574 0.6123724), wk = 0.0018797 k( 136) = ( 0.4525862 0.0821231 0.6123724), wk = 0.0018797 k( 137) = ( 0.4482759 0.0895888 0.6123724), wk = 0.0018797 k( 138) = ( 0.4439655 0.0970546 0.6123724), wk = 0.0018797 k( 139) = ( 0.4396552 0.1045203 0.6123724), wk = 0.0018797 k( 140) = ( 0.4353448 0.1119860 0.6123724), wk = 0.0018797 k( 141) = ( 0.4310345 0.1194518 0.6123724), wk = 0.0018797 k( 142) = ( 0.4267241 0.1269175 0.6123724), wk = 0.0018797 k( 143) = ( 0.4224138 0.1343833 0.6123724), wk = 0.0018797 k( 144) = ( 0.4181034 0.1418490 0.6123724), wk = 0.0018797 k( 145) = ( 0.4137931 0.1493147 0.6123724), wk = 0.0018797 k( 146) = ( 0.4094828 0.1567805 0.6123724), wk = 0.0018797 k( 147) = ( 0.4051724 0.1642462 0.6123724), wk = 0.0018797 k( 148) = ( 0.4008621 0.1717119 0.6123724), wk = 0.0018797 k( 149) = ( 0.3965517 0.1791777 0.6123724), wk = 0.0018797 k( 150) = ( 0.3922414 0.1866434 0.6123724), wk = 0.0018797 k( 151) = ( 0.3879310 0.1941091 0.6123724), wk = 0.0018797 k( 152) = ( 0.3836207 0.2015749 0.6123724), wk = 0.0018797 k( 153) = ( 0.3793103 0.2090406 0.6123724), wk = 0.0018797 k( 154) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0018797 k( 155) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0018797 k( 156) = ( 0.3706395 0.2139888 0.6052518), wk = 0.0018797 k( 157) = ( 0.3662791 0.2114713 0.5981312), wk = 0.0018797 k( 158) = ( 0.3619186 0.2089538 0.5910106), wk = 0.0018797 k( 159) = ( 0.3575581 0.2064363 0.5838900), wk = 0.0018797 k( 160) = ( 0.3531977 0.2039188 0.5767694), wk = 0.0018797 k( 161) = ( 0.3488372 0.2014013 0.5696488), wk = 0.0018797 k( 162) = ( 0.3444767 0.1988837 0.5625282), wk = 0.0018797 k( 163) = ( 0.3401163 0.1963662 0.5554076), wk = 0.0018797 k( 164) = ( 0.3357558 0.1938487 0.5482870), wk = 0.0018797 k( 165) = ( 0.3313953 0.1913312 0.5411663), wk = 0.0018797 k( 166) = ( 0.3270349 0.1888137 0.5340457), wk = 0.0018797 k( 167) = ( 0.3226744 0.1862962 0.5269251), wk = 0.0018797 k( 168) = ( 0.3183140 0.1837786 0.5198045), wk = 0.0018797 k( 169) = ( 0.3139535 0.1812611 0.5126839), wk = 0.0018797 k( 170) = ( 0.3095930 0.1787436 0.5055633), wk = 0.0018797 k( 171) = ( 0.3052326 0.1762261 0.4984427), wk = 0.0018797 k( 172) = ( 0.3008721 0.1737086 0.4913221), wk = 0.0018797 k( 173) = ( 0.2965116 0.1711911 0.4842015), wk = 0.0018797 k( 174) = ( 0.2921512 0.1686736 0.4770809), wk = 0.0018797 k( 175) = ( 0.2877907 0.1661560 0.4699602), wk = 0.0018797 k( 176) = ( 0.2834302 0.1636385 0.4628396), wk = 0.0018797 k( 177) = ( 0.2790698 0.1611210 0.4557190), wk = 0.0018797 k( 178) = ( 0.2747093 0.1586035 0.4485984), wk = 0.0018797 k( 179) = ( 0.2703488 0.1560860 0.4414778), wk = 0.0018797 k( 180) = ( 0.2659884 0.1535685 0.4343572), wk = 0.0018797 k( 181) = ( 0.2616279 0.1510509 0.4272366), wk = 0.0018797 k( 182) = ( 0.2572674 0.1485334 0.4201160), wk = 0.0018797 k( 183) = ( 0.2529070 0.1460159 0.4129954), wk = 0.0018797 k( 184) = ( 0.2485465 0.1434984 0.4058748), wk = 0.0018797 k( 185) = ( 0.2441860 0.1409809 0.3987541), wk = 0.0018797 k( 186) = ( 0.2398256 0.1384634 0.3916335), wk = 0.0018797 k( 187) = ( 0.2354651 0.1359459 0.3845129), wk = 0.0018797 k( 188) = ( 0.2311046 0.1334283 0.3773923), wk = 0.0018797 k( 189) = ( 0.2267442 0.1309108 0.3702717), wk = 0.0018797 k( 190) = ( 0.2223837 0.1283933 0.3631511), wk = 0.0018797 k( 191) = ( 0.2180233 0.1258758 0.3560305), wk = 0.0018797 k( 192) = ( 0.2136628 0.1233583 0.3489099), wk = 0.0018797 k( 193) = ( 0.2093023 0.1208408 0.3417893), wk = 0.0018797 k( 194) = ( 0.2049419 0.1183232 0.3346687), wk = 0.0018797 k( 195) = ( 0.2005814 0.1158057 0.3275480), wk = 0.0018797 k( 196) = ( 0.1962209 0.1132882 0.3204274), wk = 0.0018797 k( 197) = ( 0.1918605 0.1107707 0.3133068), wk = 0.0018797 k( 198) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0018797 k( 199) = ( 0.1831395 0.1057357 0.2990656), wk = 0.0018797 k( 200) = ( 0.1787791 0.1032181 0.2919450), wk = 0.0018797 k( 201) = ( 0.1744186 0.1007006 0.2848244), wk = 0.0018797 k( 202) = ( 0.1700581 0.0981831 0.2777038), wk = 0.0018797 k( 203) = ( 0.1656977 0.0956656 0.2705832), wk = 0.0018797 k( 204) = ( 0.1613372 0.0931481 0.2634626), wk = 0.0018797 k( 205) = ( 0.1569767 0.0906306 0.2563420), wk = 0.0018797 k( 206) = ( 0.1526163 0.0881131 0.2492213), wk = 0.0018797 k( 207) = ( 0.1482558 0.0855955 0.2421007), wk = 0.0018797 k( 208) = ( 0.1438954 0.0830780 0.2349801), wk = 0.0018797 k( 209) = ( 0.1395349 0.0805605 0.2278595), wk = 0.0018797 k( 210) = ( 0.1351744 0.0780430 0.2207389), wk = 0.0018797 k( 211) = ( 0.1308140 0.0755255 0.2136183), wk = 0.0018797 k( 212) = ( 0.1264535 0.0730080 0.2064977), wk = 0.0018797 k( 213) = ( 0.1220930 0.0704904 0.1993771), wk = 0.0018797 k( 214) = ( 0.1177326 0.0679729 0.1922565), wk = 0.0018797 k( 215) = ( 0.1133721 0.0654554 0.1851359), wk = 0.0018797 k( 216) = ( 0.1090116 0.0629379 0.1780152), wk = 0.0018797 k( 217) = ( 0.1046512 0.0604204 0.1708946), wk = 0.0018797 k( 218) = ( 0.1002907 0.0579029 0.1637740), wk = 0.0018797 k( 219) = ( 0.0959302 0.0553853 0.1566534), wk = 0.0018797 k( 220) = ( 0.0915698 0.0528678 0.1495328), wk = 0.0018797 k( 221) = ( 0.0872093 0.0503503 0.1424122), wk = 0.0018797 k( 222) = ( 0.0828488 0.0478328 0.1352916), wk = 0.0018797 k( 223) = ( 0.0784884 0.0453153 0.1281710), wk = 0.0018797 k( 224) = ( 0.0741279 0.0427978 0.1210504), wk = 0.0018797 k( 225) = ( 0.0697674 0.0402803 0.1139298), wk = 0.0018797 k( 226) = ( 0.0654070 0.0377627 0.1068091), wk = 0.0018797 k( 227) = ( 0.0610465 0.0352452 0.0996885), wk = 0.0018797 k( 228) = ( 0.0566861 0.0327277 0.0925679), wk = 0.0018797 k( 229) = ( 0.0523256 0.0302102 0.0854473), wk = 0.0018797 k( 230) = ( 0.0479651 0.0276927 0.0783267), wk = 0.0018797 k( 231) = ( 0.0436047 0.0251752 0.0712061), wk = 0.0018797 k( 232) = ( 0.0392442 0.0226576 0.0640855), wk = 0.0018797 k( 233) = ( 0.0348837 0.0201401 0.0569649), wk = 0.0018797 k( 234) = ( 0.0305233 0.0176226 0.0498443), wk = 0.0018797 k( 235) = ( 0.0261628 0.0151051 0.0427237), wk = 0.0018797 k( 236) = ( 0.0218023 0.0125876 0.0356030), wk = 0.0018797 k( 237) = ( 0.0174419 0.0100701 0.0284824), wk = 0.0018797 k( 238) = ( 0.0130814 0.0075525 0.0213618), wk = 0.0018797 k( 239) = ( 0.0087209 0.0050350 0.0142412), wk = 0.0018797 k( 240) = ( 0.0043605 0.0025175 0.0071206), wk = 0.0018797 k( 241) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018797 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018797 k( 243) = ( 0.0071429 0.0041239 0.0029161), wk = 0.0018797 k( 244) = ( 0.0142857 0.0082479 0.0058321), wk = 0.0018797 k( 245) = ( 0.0214286 0.0123718 0.0087482), wk = 0.0018797 k( 246) = ( 0.0285714 0.0164957 0.0116642), wk = 0.0018797 k( 247) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0018797 k( 248) = ( 0.0428571 0.0247436 0.0174964), wk = 0.0018797 k( 249) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0018797 k( 250) = ( 0.0571429 0.0329914 0.0233285), wk = 0.0018797 k( 251) = ( 0.0642857 0.0371154 0.0262445), wk = 0.0018797 k( 252) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0018797 k( 253) = ( 0.0785714 0.0453632 0.0320767), wk = 0.0018797 k( 254) = ( 0.0857143 0.0494872 0.0349927), wk = 0.0018797 k( 255) = ( 0.0928571 0.0536111 0.0379088), wk = 0.0018797 k( 256) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0018797 k( 257) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0018797 k( 258) = ( 0.1142857 0.0659829 0.0466569), wk = 0.0018797 k( 259) = ( 0.1214286 0.0701068 0.0495730), wk = 0.0018797 k( 260) = ( 0.1285714 0.0742307 0.0524891), wk = 0.0018797 k( 261) = ( 0.1357143 0.0783547 0.0554051), wk = 0.0018797 k( 262) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0018797 k( 263) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0018797 k( 264) = ( 0.1571429 0.0907265 0.0641533), wk = 0.0018797 k( 265) = ( 0.1642857 0.0948504 0.0670694), wk = 0.0018797 k( 266) = ( 0.1714286 0.0989743 0.0699854), wk = 0.0018797 k( 267) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0018797 k( 268) = ( 0.1857143 0.1072222 0.0758175), wk = 0.0018797 k( 269) = ( 0.1928571 0.1113461 0.0787336), wk = 0.0018797 k( 270) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0018797 k( 271) = ( 0.2071429 0.1195940 0.0845657), wk = 0.0018797 k( 272) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0018797 k( 273) = ( 0.2214286 0.1278418 0.0903978), wk = 0.0018797 k( 274) = ( 0.2285714 0.1319658 0.0933139), wk = 0.0018797 k( 275) = ( 0.2357143 0.1360897 0.0962300), wk = 0.0018797 k( 276) = ( 0.2428571 0.1402136 0.0991460), wk = 0.0018797 k( 277) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0018797 k( 278) = ( 0.2571429 0.1484615 0.1049781), wk = 0.0018797 k( 279) = ( 0.2642857 0.1525854 0.1078942), wk = 0.0018797 k( 280) = ( 0.2714286 0.1567094 0.1108102), wk = 0.0018797 k( 281) = ( 0.2785714 0.1608333 0.1137263), wk = 0.0018797 k( 282) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0018797 k( 283) = ( 0.2928571 0.1690811 0.1195584), wk = 0.0018797 k( 284) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0018797 k( 285) = ( 0.3071429 0.1773290 0.1253905), wk = 0.0018797 k( 286) = ( 0.3142857 0.1814529 0.1283066), wk = 0.0018797 k( 287) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0018797 k( 288) = ( 0.3285714 0.1897008 0.1341387), wk = 0.0018797 k( 289) = ( 0.3357143 0.1938247 0.1370548), wk = 0.0018797 k( 290) = ( 0.3428571 0.1979487 0.1399708), wk = 0.0018797 k( 291) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0018797 k( 292) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0018797 k( 293) = ( 0.3642857 0.2103205 0.1487190), wk = 0.0018797 k( 294) = ( 0.3714286 0.2144444 0.1516351), wk = 0.0018797 k( 295) = ( 0.3785714 0.2185683 0.1545511), wk = 0.0018797 k( 296) = ( 0.3857143 0.2226922 0.1574672), wk = 0.0018797 k( 297) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0018797 k( 298) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0018797 k( 299) = ( 0.4071429 0.2350640 0.1662154), wk = 0.0018797 k( 300) = ( 0.4142857 0.2391880 0.1691314), wk = 0.0018797 k( 301) = ( 0.4214286 0.2433119 0.1720475), wk = 0.0018797 k( 302) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0018797 k( 303) = ( 0.4357143 0.2515598 0.1778796), wk = 0.0018797 k( 304) = ( 0.4428571 0.2556837 0.1807957), wk = 0.0018797 k( 305) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0018797 k( 306) = ( 0.4571429 0.2639316 0.1866278), wk = 0.0018797 k( 307) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0018797 k( 308) = ( 0.4714286 0.2721794 0.1924599), wk = 0.0018797 k( 309) = ( 0.4785714 0.2763033 0.1953760), wk = 0.0018797 k( 310) = ( 0.4857143 0.2804273 0.1982920), wk = 0.0018797 k( 311) = ( 0.4928571 0.2845512 0.2012081), wk = 0.0018797 k( 312) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018797 k( 313) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018797 k( 314) = ( 0.5025000 0.2814583 0.2082066), wk = 0.0018797 k( 315) = ( 0.5050000 0.2742414 0.2122891), wk = 0.0018797 k( 316) = ( 0.5075000 0.2670245 0.2163716), wk = 0.0018797 k( 317) = ( 0.5100000 0.2598076 0.2204541), wk = 0.0018797 k( 318) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0018797 k( 319) = ( 0.5150000 0.2453739 0.2286190), wk = 0.0018797 k( 320) = ( 0.5175000 0.2381570 0.2327015), wk = 0.0018797 k( 321) = ( 0.5200000 0.2309401 0.2367840), wk = 0.0018797 k( 322) = ( 0.5225000 0.2237232 0.2408665), wk = 0.0018797 k( 323) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0018797 k( 324) = ( 0.5275000 0.2092895 0.2490315), wk = 0.0018797 k( 325) = ( 0.5300000 0.2020726 0.2531139), wk = 0.0018797 k( 326) = ( 0.5325000 0.1948557 0.2571964), wk = 0.0018797 k( 327) = ( 0.5350000 0.1876388 0.2612789), wk = 0.0018797 k( 328) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0018797 k( 329) = ( 0.5400000 0.1732051 0.2694439), wk = 0.0018797 k( 330) = ( 0.5425000 0.1659882 0.2735264), wk = 0.0018797 k( 331) = ( 0.5450000 0.1587713 0.2776088), wk = 0.0018797 k( 332) = ( 0.5475000 0.1515544 0.2816913), wk = 0.0018797 k( 333) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0018797 k( 334) = ( 0.5525000 0.1371207 0.2898563), wk = 0.0018797 k( 335) = ( 0.5550000 0.1299038 0.2939388), wk = 0.0018797 k( 336) = ( 0.5575000 0.1226869 0.2980213), wk = 0.0018797 k( 337) = ( 0.5600000 0.1154701 0.3021037), wk = 0.0018797 k( 338) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0018797 k( 339) = ( 0.5650000 0.1010363 0.3102687), wk = 0.0018797 k( 340) = ( 0.5675000 0.0938194 0.3143512), wk = 0.0018797 k( 341) = ( 0.5700000 0.0866025 0.3184337), wk = 0.0018797 k( 342) = ( 0.5725000 0.0793857 0.3225161), wk = 0.0018797 k( 343) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0018797 k( 344) = ( 0.5775000 0.0649519 0.3306811), wk = 0.0018797 k( 345) = ( 0.5800000 0.0577350 0.3347636), wk = 0.0018797 k( 346) = ( 0.5825000 0.0505181 0.3388461), wk = 0.0018797 k( 347) = ( 0.5850000 0.0433013 0.3429286), wk = 0.0018797 k( 348) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0018797 k( 349) = ( 0.5900000 0.0288675 0.3510935), wk = 0.0018797 k( 350) = ( 0.5925000 0.0216506 0.3551760), wk = 0.0018797 k( 351) = ( 0.5950000 0.0144338 0.3592585), wk = 0.0018797 k( 352) = ( 0.5975000 0.0072169 0.3633410), wk = 0.0018797 k( 353) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0018797 k( 354) = ( 0.6025000 -0.0072169 0.3715059), wk = 0.0018797 k( 355) = ( 0.6050000 -0.0144338 0.3755884), wk = 0.0018797 k( 356) = ( 0.6075000 -0.0216506 0.3796709), wk = 0.0018797 k( 357) = ( 0.6100000 -0.0288675 0.3837534), wk = 0.0018797 k( 358) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0018797 k( 359) = ( 0.6150000 -0.0433013 0.3919184), wk = 0.0018797 k( 360) = ( 0.6175000 -0.0505181 0.3960008), wk = 0.0018797 k( 361) = ( 0.6200000 -0.0577350 0.4000833), wk = 0.0018797 k( 362) = ( 0.6225000 -0.0649519 0.4041658), wk = 0.0018797 k( 363) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0018797 k( 364) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0018797 k( 365) = ( 0.6206897 -0.0696802 0.4152870), wk = 0.0018797 k( 366) = ( 0.6163793 -0.0671916 0.4223258), wk = 0.0018797 k( 367) = ( 0.6120690 -0.0647030 0.4293646), wk = 0.0018797 k( 368) = ( 0.6077586 -0.0622145 0.4364033), wk = 0.0018797 k( 369) = ( 0.6034483 -0.0597259 0.4434421), wk = 0.0018797 k( 370) = ( 0.5991379 -0.0572373 0.4504809), wk = 0.0018797 k( 371) = ( 0.5948276 -0.0547487 0.4575196), wk = 0.0018797 k( 372) = ( 0.5905172 -0.0522602 0.4645584), wk = 0.0018797 k( 373) = ( 0.5862069 -0.0497716 0.4715972), wk = 0.0018797 k( 374) = ( 0.5818965 -0.0472830 0.4786359), wk = 0.0018797 k( 375) = ( 0.5775862 -0.0447944 0.4856747), wk = 0.0018797 k( 376) = ( 0.5732759 -0.0423058 0.4927135), wk = 0.0018797 k( 377) = ( 0.5689655 -0.0398173 0.4997522), wk = 0.0018797 k( 378) = ( 0.5646552 -0.0373287 0.5067910), wk = 0.0018797 k( 379) = ( 0.5603448 -0.0348401 0.5138297), wk = 0.0018797 k( 380) = ( 0.5560345 -0.0323515 0.5208685), wk = 0.0018797 k( 381) = ( 0.5517241 -0.0298629 0.5279073), wk = 0.0018797 k( 382) = ( 0.5474138 -0.0273744 0.5349460), wk = 0.0018797 k( 383) = ( 0.5431035 -0.0248858 0.5419848), wk = 0.0018797 k( 384) = ( 0.5387931 -0.0223972 0.5490236), wk = 0.0018797 k( 385) = ( 0.5344828 -0.0199086 0.5560623), wk = 0.0018797 k( 386) = ( 0.5301724 -0.0174200 0.5631011), wk = 0.0018797 k( 387) = ( 0.5258621 -0.0149315 0.5701399), wk = 0.0018797 k( 388) = ( 0.5215517 -0.0124429 0.5771786), wk = 0.0018797 k( 389) = ( 0.5172414 -0.0099543 0.5842174), wk = 0.0018797 k( 390) = ( 0.5129310 -0.0074657 0.5912562), wk = 0.0018797 k( 391) = ( 0.5086207 -0.0049772 0.5982949), wk = 0.0018797 k( 392) = ( 0.5043103 -0.0024886 0.6053337), wk = 0.0018797 k( 393) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0018797 k( 394) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0018797 k( 395) = ( 0.5000000 0.0050645 0.6052102), wk = 0.0018797 k( 396) = ( 0.5000000 0.0101290 0.5980479), wk = 0.0018797 k( 397) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0018797 k( 398) = ( 0.5000000 0.0202579 0.5837234), wk = 0.0018797 k( 399) = ( 0.5000000 0.0253224 0.5765612), wk = 0.0018797 k( 400) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0018797 k( 401) = ( 0.5000000 0.0354513 0.5622367), wk = 0.0018797 k( 402) = ( 0.5000000 0.0405158 0.5550744), wk = 0.0018797 k( 403) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0018797 k( 404) = ( 0.5000000 0.0506448 0.5407499), wk = 0.0018797 k( 405) = ( 0.5000000 0.0557092 0.5335877), wk = 0.0018797 k( 406) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0018797 k( 407) = ( 0.5000000 0.0658382 0.5192632), wk = 0.0018797 k( 408) = ( 0.5000000 0.0709027 0.5121009), wk = 0.0018797 k( 409) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0018797 k( 410) = ( 0.5000000 0.0810316 0.4977764), wk = 0.0018797 k( 411) = ( 0.5000000 0.0860961 0.4906142), wk = 0.0018797 k( 412) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0018797 k( 413) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0018797 k( 414) = ( 0.5000000 0.1012895 0.4691274), wk = 0.0018797 k( 415) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0018797 k( 416) = ( 0.5000000 0.1114185 0.4548029), wk = 0.0018797 k( 417) = ( 0.5000000 0.1164829 0.4476407), wk = 0.0018797 k( 418) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0018797 k( 419) = ( 0.5000000 0.1266119 0.4333162), wk = 0.0018797 k( 420) = ( 0.5000000 0.1316764 0.4261539), wk = 0.0018797 k( 421) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0018797 k( 422) = ( 0.5000000 0.1418053 0.4118294), wk = 0.0018797 k( 423) = ( 0.5000000 0.1468698 0.4046672), wk = 0.0018797 k( 424) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0018797 k( 425) = ( 0.5000000 0.1569988 0.3903427), wk = 0.0018797 k( 426) = ( 0.5000000 0.1620632 0.3831804), wk = 0.0018797 k( 427) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0018797 k( 428) = ( 0.5000000 0.1721922 0.3688559), wk = 0.0018797 k( 429) = ( 0.5000000 0.1772567 0.3616937), wk = 0.0018797 k( 430) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0018797 k( 431) = ( 0.5000000 0.1873856 0.3473692), wk = 0.0018797 k( 432) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0018797 k( 433) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0018797 k( 434) = ( 0.5000000 0.2025790 0.3258824), wk = 0.0018797 k( 435) = ( 0.5000000 0.2076435 0.3187202), wk = 0.0018797 k( 436) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0018797 k( 437) = ( 0.5000000 0.2177725 0.3043957), wk = 0.0018797 k( 438) = ( 0.5000000 0.2228370 0.2972334), wk = 0.0018797 k( 439) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0018797 k( 440) = ( 0.5000000 0.2329659 0.2829089), wk = 0.0018797 k( 441) = ( 0.5000000 0.2380304 0.2757467), wk = 0.0018797 k( 442) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0018797 k( 443) = ( 0.5000000 0.2481593 0.2614222), wk = 0.0018797 k( 444) = ( 0.5000000 0.2532238 0.2542599), wk = 0.0018797 k( 445) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0018797 k( 446) = ( 0.5000000 0.2633528 0.2399354), wk = 0.0018797 k( 447) = ( 0.5000000 0.2684172 0.2327731), wk = 0.0018797 k( 448) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0018797 k( 449) = ( 0.5000000 0.2785462 0.2184486), wk = 0.0018797 k( 450) = ( 0.5000000 0.2836107 0.2112864), wk = 0.0018797 k( 451) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018797 k( 452) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018797 k( 453) = ( 0.4975000 0.2872318 0.2122891), wk = 0.0018797 k( 454) = ( 0.4950000 0.2857884 0.2204541), wk = 0.0018797 k( 455) = ( 0.4925000 0.2843450 0.2286190), wk = 0.0018797 k( 456) = ( 0.4900000 0.2829016 0.2367840), wk = 0.0018797 k( 457) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0018797 k( 458) = ( 0.4850000 0.2800149 0.2531139), wk = 0.0018797 k( 459) = ( 0.4825000 0.2785715 0.2612789), wk = 0.0018797 k( 460) = ( 0.4800000 0.2771281 0.2694439), wk = 0.0018797 k( 461) = ( 0.4775000 0.2756848 0.2776088), wk = 0.0018797 k( 462) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0018797 k( 463) = ( 0.4725000 0.2727980 0.2939388), wk = 0.0018797 k( 464) = ( 0.4700000 0.2713546 0.3021037), wk = 0.0018797 k( 465) = ( 0.4675000 0.2699113 0.3102687), wk = 0.0018797 k( 466) = ( 0.4650000 0.2684679 0.3184337), wk = 0.0018797 k( 467) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0018797 k( 468) = ( 0.4600000 0.2655811 0.3347636), wk = 0.0018797 k( 469) = ( 0.4575000 0.2641377 0.3429286), wk = 0.0018797 k( 470) = ( 0.4550000 0.2626944 0.3510935), wk = 0.0018797 k( 471) = ( 0.4525000 0.2612510 0.3592585), wk = 0.0018797 k( 472) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0018797 k( 473) = ( 0.4475000 0.2583642 0.3755884), wk = 0.0018797 k( 474) = ( 0.4450000 0.2569209 0.3837534), wk = 0.0018797 k( 475) = ( 0.4425000 0.2554775 0.3919184), wk = 0.0018797 k( 476) = ( 0.4400000 0.2540341 0.4000833), wk = 0.0018797 k( 477) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0018797 k( 478) = ( 0.4350000 0.2511474 0.4164133), wk = 0.0018797 k( 479) = ( 0.4325000 0.2497040 0.4245782), wk = 0.0018797 k( 480) = ( 0.4300000 0.2482606 0.4327432), wk = 0.0018797 k( 481) = ( 0.4275000 0.2468172 0.4409082), wk = 0.0018797 k( 482) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0018797 k( 483) = ( 0.4225000 0.2439305 0.4572381), wk = 0.0018797 k( 484) = ( 0.4200000 0.2424871 0.4654031), wk = 0.0018797 k( 485) = ( 0.4175000 0.2410437 0.4735680), wk = 0.0018797 k( 486) = ( 0.4150000 0.2396004 0.4817330), wk = 0.0018797 k( 487) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0018797 k( 488) = ( 0.4100000 0.2367136 0.4980629), wk = 0.0018797 k( 489) = ( 0.4075000 0.2352702 0.5062279), wk = 0.0018797 k( 490) = ( 0.4050000 0.2338269 0.5143928), wk = 0.0018797 k( 491) = ( 0.4025000 0.2323835 0.5225578), wk = 0.0018797 k( 492) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0018797 k( 493) = ( 0.3975000 0.2294967 0.5388877), wk = 0.0018797 k( 494) = ( 0.3950000 0.2280534 0.5470527), wk = 0.0018797 k( 495) = ( 0.3925000 0.2266100 0.5552177), wk = 0.0018797 k( 496) = ( 0.3900000 0.2251666 0.5633826), wk = 0.0018797 k( 497) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0018797 k( 498) = ( 0.3850000 0.2222799 0.5797126), wk = 0.0018797 k( 499) = ( 0.3825000 0.2208365 0.5878775), wk = 0.0018797 k( 500) = ( 0.3800000 0.2193931 0.5960425), wk = 0.0018797 k( 501) = ( 0.3775000 0.2179497 0.6042075), wk = 0.0018797 k( 502) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0018797 k( 503) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0018797 k( 504) = ( 0.6206897 -0.0796345 0.4082483), wk = 0.0018797 k( 505) = ( 0.6163793 -0.0871003 0.4082483), wk = 0.0018797 k( 506) = ( 0.6120690 -0.0945660 0.4082483), wk = 0.0018797 k( 507) = ( 0.6077586 -0.1020317 0.4082483), wk = 0.0018797 k( 508) = ( 0.6034483 -0.1094975 0.4082483), wk = 0.0018797 k( 509) = ( 0.5991379 -0.1169632 0.4082483), wk = 0.0018797 k( 510) = ( 0.5948276 -0.1244289 0.4082483), wk = 0.0018797 k( 511) = ( 0.5905172 -0.1318947 0.4082483), wk = 0.0018797 k( 512) = ( 0.5862069 -0.1393604 0.4082483), wk = 0.0018797 k( 513) = ( 0.5818965 -0.1468261 0.4082483), wk = 0.0018797 k( 514) = ( 0.5775862 -0.1542919 0.4082483), wk = 0.0018797 k( 515) = ( 0.5732759 -0.1617576 0.4082483), wk = 0.0018797 k( 516) = ( 0.5689655 -0.1692234 0.4082483), wk = 0.0018797 k( 517) = ( 0.5646552 -0.1766891 0.4082483), wk = 0.0018797 k( 518) = ( 0.5603448 -0.1841548 0.4082483), wk = 0.0018797 k( 519) = ( 0.5560345 -0.1916206 0.4082483), wk = 0.0018797 k( 520) = ( 0.5517241 -0.1990863 0.4082483), wk = 0.0018797 k( 521) = ( 0.5474138 -0.2065520 0.4082483), wk = 0.0018797 k( 522) = ( 0.5431035 -0.2140178 0.4082483), wk = 0.0018797 k( 523) = ( 0.5387931 -0.2214835 0.4082483), wk = 0.0018797 k( 524) = ( 0.5344828 -0.2289492 0.4082483), wk = 0.0018797 k( 525) = ( 0.5301724 -0.2364150 0.4082483), wk = 0.0018797 k( 526) = ( 0.5258621 -0.2438807 0.4082483), wk = 0.0018797 k( 527) = ( 0.5215517 -0.2513464 0.4082483), wk = 0.0018797 k( 528) = ( 0.5172414 -0.2588122 0.4082483), wk = 0.0018797 k( 529) = ( 0.5129310 -0.2662779 0.4082483), wk = 0.0018797 k( 530) = ( 0.5086207 -0.2737437 0.4082483), wk = 0.0018797 k( 531) = ( 0.5043103 -0.2812094 0.4082483), wk = 0.0018797 k( 532) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0018797 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018797 k( 2) = ( 0.0061728 -0.0000000 0.0061728), wk = 0.0018797 k( 3) = ( 0.0123457 -0.0000000 0.0123457), wk = 0.0018797 k( 4) = ( 0.0185185 -0.0000000 0.0185185), wk = 0.0018797 k( 5) = ( 0.0246914 -0.0000000 0.0246914), wk = 0.0018797 k( 6) = ( 0.0308642 0.0000000 0.0308642), wk = 0.0018797 k( 7) = ( 0.0370370 -0.0000000 0.0370370), wk = 0.0018797 k( 8) = ( 0.0432099 -0.0000000 0.0432099), wk = 0.0018797 k( 9) = ( 0.0493827 -0.0000000 0.0493827), wk = 0.0018797 k( 10) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0018797 k( 11) = ( 0.0617284 0.0000000 0.0617284), wk = 0.0018797 k( 12) = ( 0.0679012 -0.0000000 0.0679012), wk = 0.0018797 k( 13) = ( 0.0740741 -0.0000000 0.0740741), wk = 0.0018797 k( 14) = ( 0.0802469 -0.0000000 0.0802469), wk = 0.0018797 k( 15) = ( 0.0864198 -0.0000000 0.0864197), wk = 0.0018797 k( 16) = ( 0.0925926 -0.0000000 0.0925926), wk = 0.0018797 k( 17) = ( 0.0987654 -0.0000000 0.0987654), wk = 0.0018797 k( 18) = ( 0.1049383 -0.0000000 0.1049383), wk = 0.0018797 k( 19) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0018797 k( 20) = ( 0.1172839 0.0000000 0.1172839), wk = 0.0018797 k( 21) = ( 0.1234568 -0.0000000 0.1234568), wk = 0.0018797 k( 22) = ( 0.1296296 0.0000000 0.1296296), wk = 0.0018797 k( 23) = ( 0.1358025 -0.0000000 0.1358025), wk = 0.0018797 k( 24) = ( 0.1419753 -0.0000000 0.1419753), wk = 0.0018797 k( 25) = ( 0.1481482 -0.0000000 0.1481482), wk = 0.0018797 k( 26) = ( 0.1543210 -0.0000000 0.1543210), wk = 0.0018797 k( 27) = ( 0.1604938 -0.0000000 0.1604938), wk = 0.0018797 k( 28) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0018797 k( 29) = ( 0.1728395 -0.0000000 0.1728395), wk = 0.0018797 k( 30) = ( 0.1790123 -0.0000000 0.1790123), wk = 0.0018797 k( 31) = ( 0.1851852 -0.0000000 0.1851852), wk = 0.0018797 k( 32) = ( 0.1913580 -0.0000000 0.1913580), wk = 0.0018797 k( 33) = ( 0.1975309 -0.0000000 0.1975309), wk = 0.0018797 k( 34) = ( 0.2037037 -0.0000000 0.2037037), wk = 0.0018797 k( 35) = ( 0.2098765 -0.0000000 0.2098765), wk = 0.0018797 k( 36) = ( 0.2160494 -0.0000000 0.2160494), wk = 0.0018797 k( 37) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0018797 k( 38) = ( 0.2283951 -0.0000000 0.2283951), wk = 0.0018797 k( 39) = ( 0.2345679 0.0000000 0.2345679), wk = 0.0018797 k( 40) = ( 0.2407407 -0.0000000 0.2407407), wk = 0.0018797 k( 41) = ( 0.2469136 -0.0000000 0.2469136), wk = 0.0018797 k( 42) = ( 0.2530864 0.0000000 0.2530864), wk = 0.0018797 k( 43) = ( 0.2592593 0.0000000 0.2592593), wk = 0.0018797 k( 44) = ( 0.2654321 -0.0000000 0.2654321), wk = 0.0018797 k( 45) = ( 0.2716049 -0.0000000 0.2716049), wk = 0.0018797 k( 46) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0018797 k( 47) = ( 0.2839506 -0.0000000 0.2839506), wk = 0.0018797 k( 48) = ( 0.2901235 -0.0000000 0.2901235), wk = 0.0018797 k( 49) = ( 0.2962963 -0.0000000 0.2962963), wk = 0.0018797 k( 50) = ( 0.3024691 -0.0000000 0.3024691), wk = 0.0018797 k( 51) = ( 0.3086420 -0.0000000 0.3086420), wk = 0.0018797 k( 52) = ( 0.3148148 0.0000000 0.3148148), wk = 0.0018797 k( 53) = ( 0.3209877 0.0000000 0.3209877), wk = 0.0018797 k( 54) = ( 0.3271605 0.0000000 0.3271605), wk = 0.0018797 k( 55) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0018797 k( 56) = ( 0.3395062 0.0000000 0.3395062), wk = 0.0018797 k( 57) = ( 0.3456790 0.0000000 0.3456790), wk = 0.0018797 k( 58) = ( 0.3518519 0.0000000 0.3518519), wk = 0.0018797 k( 59) = ( 0.3580247 0.0000000 0.3580247), wk = 0.0018797 k( 60) = ( 0.3641975 0.0000000 0.3641975), wk = 0.0018797 k( 61) = ( 0.3703704 0.0000000 0.3703704), wk = 0.0018797 k( 62) = ( 0.3765432 0.0000000 0.3765432), wk = 0.0018797 k( 63) = ( 0.3827160 0.0000000 0.3827160), wk = 0.0018797 k( 64) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0018797 k( 65) = ( 0.3950617 0.0000000 0.3950617), wk = 0.0018797 k( 66) = ( 0.4012346 0.0000000 0.4012346), wk = 0.0018797 k( 67) = ( 0.4074074 0.0000000 0.4074074), wk = 0.0018797 k( 68) = ( 0.4135802 0.0000000 0.4135802), wk = 0.0018797 k( 69) = ( 0.4197531 0.0000000 0.4197531), wk = 0.0018797 k( 70) = ( 0.4259259 0.0000000 0.4259259), wk = 0.0018797 k( 71) = ( 0.4320988 0.0000000 0.4320988), wk = 0.0018797 k( 72) = ( 0.4382716 -0.0000000 0.4382716), wk = 0.0018797 k( 73) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0018797 k( 74) = ( 0.4506173 -0.0000000 0.4506173), wk = 0.0018797 k( 75) = ( 0.4567901 -0.0000000 0.4567901), wk = 0.0018797 k( 76) = ( 0.4629630 0.0000000 0.4629630), wk = 0.0018797 k( 77) = ( 0.4691358 0.0000000 0.4691358), wk = 0.0018797 k( 78) = ( 0.4753086 0.0000000 0.4753086), wk = 0.0018797 k( 79) = ( 0.4814815 -0.0000000 0.4814815), wk = 0.0018797 k( 80) = ( 0.4876543 -0.0000000 0.4876543), wk = 0.0018797 k( 81) = ( 0.4938272 -0.0000000 0.4938272), wk = 0.0018797 k( 82) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018797 k( 83) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018797 k( 84) = ( 0.5000000 0.0060976 0.5060976), wk = 0.0018797 k( 85) = ( 0.5000000 0.0121951 0.5121951), wk = 0.0018797 k( 86) = ( 0.5000000 0.0182927 0.5182927), wk = 0.0018797 k( 87) = ( 0.5000000 0.0243902 0.5243902), wk = 0.0018797 k( 88) = ( 0.5000000 0.0304878 0.5304878), wk = 0.0018797 k( 89) = ( 0.5000000 0.0365854 0.5365854), wk = 0.0018797 k( 90) = ( 0.5000000 0.0426829 0.5426829), wk = 0.0018797 k( 91) = ( 0.5000000 0.0487805 0.5487805), wk = 0.0018797 k( 92) = ( 0.5000000 0.0548780 0.5548781), wk = 0.0018797 k( 93) = ( 0.5000000 0.0609756 0.5609756), wk = 0.0018797 k( 94) = ( 0.5000000 0.0670732 0.5670732), wk = 0.0018797 k( 95) = ( 0.5000000 0.0731707 0.5731707), wk = 0.0018797 k( 96) = ( 0.5000000 0.0792683 0.5792683), wk = 0.0018797 k( 97) = ( 0.5000000 0.0853658 0.5853658), wk = 0.0018797 k( 98) = ( 0.5000000 0.0914634 0.5914634), wk = 0.0018797 k( 99) = ( 0.5000000 0.0975610 0.5975610), wk = 0.0018797 k( 100) = ( 0.5000000 0.1036585 0.6036585), wk = 0.0018797 k( 101) = ( 0.5000000 0.1097561 0.6097561), wk = 0.0018797 k( 102) = ( 0.5000000 0.1158537 0.6158537), wk = 0.0018797 k( 103) = ( 0.5000000 0.1219512 0.6219512), wk = 0.0018797 k( 104) = ( 0.5000000 0.1280488 0.6280488), wk = 0.0018797 k( 105) = ( 0.5000000 0.1341463 0.6341463), wk = 0.0018797 k( 106) = ( 0.5000000 0.1402439 0.6402439), wk = 0.0018797 k( 107) = ( 0.5000000 0.1463415 0.6463415), wk = 0.0018797 k( 108) = ( 0.5000000 0.1524390 0.6524390), wk = 0.0018797 k( 109) = ( 0.5000000 0.1585366 0.6585366), wk = 0.0018797 k( 110) = ( 0.5000000 0.1646341 0.6646342), wk = 0.0018797 k( 111) = ( 0.5000000 0.1707317 0.6707317), wk = 0.0018797 k( 112) = ( 0.5000000 0.1768293 0.6768293), wk = 0.0018797 k( 113) = ( 0.5000000 0.1829268 0.6829268), wk = 0.0018797 k( 114) = ( 0.5000000 0.1890244 0.6890244), wk = 0.0018797 k( 115) = ( 0.5000000 0.1951219 0.6951219), wk = 0.0018797 k( 116) = ( 0.5000000 0.2012195 0.7012195), wk = 0.0018797 k( 117) = ( 0.5000000 0.2073171 0.7073171), wk = 0.0018797 k( 118) = ( 0.5000000 0.2134146 0.7134146), wk = 0.0018797 k( 119) = ( 0.5000000 0.2195122 0.7195122), wk = 0.0018797 k( 120) = ( 0.5000000 0.2256098 0.7256098), wk = 0.0018797 k( 121) = ( 0.5000000 0.2317073 0.7317073), wk = 0.0018797 k( 122) = ( 0.5000000 0.2378049 0.7378049), wk = 0.0018797 k( 123) = ( 0.5000000 0.2439024 0.7439024), wk = 0.0018797 k( 124) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018797 k( 125) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018797 k( 126) = ( 0.4956897 0.2543103 0.7500000), wk = 0.0018797 k( 127) = ( 0.4913793 0.2586207 0.7500000), wk = 0.0018797 k( 128) = ( 0.4870690 0.2629310 0.7500000), wk = 0.0018797 k( 129) = ( 0.4827586 0.2672414 0.7500000), wk = 0.0018797 k( 130) = ( 0.4784483 0.2715517 0.7500000), wk = 0.0018797 k( 131) = ( 0.4741379 0.2758621 0.7500000), wk = 0.0018797 k( 132) = ( 0.4698276 0.2801724 0.7500000), wk = 0.0018797 k( 133) = ( 0.4655172 0.2844828 0.7500000), wk = 0.0018797 k( 134) = ( 0.4612069 0.2887931 0.7500000), wk = 0.0018797 k( 135) = ( 0.4568966 0.2931034 0.7500000), wk = 0.0018797 k( 136) = ( 0.4525862 0.2974138 0.7500000), wk = 0.0018797 k( 137) = ( 0.4482759 0.3017241 0.7500000), wk = 0.0018797 k( 138) = ( 0.4439655 0.3060345 0.7500000), wk = 0.0018797 k( 139) = ( 0.4396552 0.3103448 0.7500000), wk = 0.0018797 k( 140) = ( 0.4353448 0.3146552 0.7500000), wk = 0.0018797 k( 141) = ( 0.4310345 0.3189655 0.7500000), wk = 0.0018797 k( 142) = ( 0.4267241 0.3232759 0.7500000), wk = 0.0018797 k( 143) = ( 0.4224138 0.3275862 0.7500000), wk = 0.0018797 k( 144) = ( 0.4181034 0.3318966 0.7500000), wk = 0.0018797 k( 145) = ( 0.4137931 0.3362069 0.7500000), wk = 0.0018797 k( 146) = ( 0.4094828 0.3405172 0.7500000), wk = 0.0018797 k( 147) = ( 0.4051724 0.3448276 0.7500000), wk = 0.0018797 k( 148) = ( 0.4008621 0.3491379 0.7500000), wk = 0.0018797 k( 149) = ( 0.3965517 0.3534483 0.7500000), wk = 0.0018797 k( 150) = ( 0.3922414 0.3577586 0.7500000), wk = 0.0018797 k( 151) = ( 0.3879310 0.3620690 0.7500000), wk = 0.0018797 k( 152) = ( 0.3836207 0.3663793 0.7500000), wk = 0.0018797 k( 153) = ( 0.3793103 0.3706897 0.7500000), wk = 0.0018797 k( 154) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0018797 k( 155) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0018797 k( 156) = ( 0.3706395 0.3706395 0.7412791), wk = 0.0018797 k( 157) = ( 0.3662791 0.3662791 0.7325581), wk = 0.0018797 k( 158) = ( 0.3619186 0.3619186 0.7238372), wk = 0.0018797 k( 159) = ( 0.3575581 0.3575581 0.7151163), wk = 0.0018797 k( 160) = ( 0.3531977 0.3531977 0.7063953), wk = 0.0018797 k( 161) = ( 0.3488372 0.3488372 0.6976744), wk = 0.0018797 k( 162) = ( 0.3444767 0.3444767 0.6889535), wk = 0.0018797 k( 163) = ( 0.3401163 0.3401163 0.6802326), wk = 0.0018797 k( 164) = ( 0.3357558 0.3357558 0.6715116), wk = 0.0018797 k( 165) = ( 0.3313953 0.3313953 0.6627907), wk = 0.0018797 k( 166) = ( 0.3270349 0.3270349 0.6540698), wk = 0.0018797 k( 167) = ( 0.3226744 0.3226744 0.6453488), wk = 0.0018797 k( 168) = ( 0.3183140 0.3183140 0.6366279), wk = 0.0018797 k( 169) = ( 0.3139535 0.3139535 0.6279070), wk = 0.0018797 k( 170) = ( 0.3095930 0.3095930 0.6191861), wk = 0.0018797 k( 171) = ( 0.3052326 0.3052326 0.6104651), wk = 0.0018797 k( 172) = ( 0.3008721 0.3008721 0.6017442), wk = 0.0018797 k( 173) = ( 0.2965116 0.2965116 0.5930233), wk = 0.0018797 k( 174) = ( 0.2921512 0.2921512 0.5843023), wk = 0.0018797 k( 175) = ( 0.2877907 0.2877907 0.5755814), wk = 0.0018797 k( 176) = ( 0.2834302 0.2834302 0.5668605), wk = 0.0018797 k( 177) = ( 0.2790698 0.2790698 0.5581395), wk = 0.0018797 k( 178) = ( 0.2747093 0.2747093 0.5494186), wk = 0.0018797 k( 179) = ( 0.2703488 0.2703488 0.5406977), wk = 0.0018797 k( 180) = ( 0.2659884 0.2659884 0.5319767), wk = 0.0018797 k( 181) = ( 0.2616279 0.2616279 0.5232558), wk = 0.0018797 k( 182) = ( 0.2572674 0.2572674 0.5145349), wk = 0.0018797 k( 183) = ( 0.2529070 0.2529070 0.5058139), wk = 0.0018797 k( 184) = ( 0.2485465 0.2485465 0.4970930), wk = 0.0018797 k( 185) = ( 0.2441860 0.2441860 0.4883721), wk = 0.0018797 k( 186) = ( 0.2398256 0.2398256 0.4796512), wk = 0.0018797 k( 187) = ( 0.2354651 0.2354651 0.4709302), wk = 0.0018797 k( 188) = ( 0.2311046 0.2311046 0.4622093), wk = 0.0018797 k( 189) = ( 0.2267442 0.2267442 0.4534884), wk = 0.0018797 k( 190) = ( 0.2223837 0.2223837 0.4447674), wk = 0.0018797 k( 191) = ( 0.2180233 0.2180233 0.4360465), wk = 0.0018797 k( 192) = ( 0.2136628 0.2136628 0.4273256), wk = 0.0018797 k( 193) = ( 0.2093023 0.2093023 0.4186047), wk = 0.0018797 k( 194) = ( 0.2049419 0.2049419 0.4098837), wk = 0.0018797 k( 195) = ( 0.2005814 0.2005814 0.4011628), wk = 0.0018797 k( 196) = ( 0.1962209 0.1962209 0.3924419), wk = 0.0018797 k( 197) = ( 0.1918605 0.1918605 0.3837209), wk = 0.0018797 k( 198) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0018797 k( 199) = ( 0.1831395 0.1831395 0.3662791), wk = 0.0018797 k( 200) = ( 0.1787791 0.1787791 0.3575581), wk = 0.0018797 k( 201) = ( 0.1744186 0.1744186 0.3488372), wk = 0.0018797 k( 202) = ( 0.1700581 0.1700581 0.3401163), wk = 0.0018797 k( 203) = ( 0.1656977 0.1656977 0.3313953), wk = 0.0018797 k( 204) = ( 0.1613372 0.1613372 0.3226744), wk = 0.0018797 k( 205) = ( 0.1569767 0.1569767 0.3139535), wk = 0.0018797 k( 206) = ( 0.1526163 0.1526163 0.3052326), wk = 0.0018797 k( 207) = ( 0.1482558 0.1482558 0.2965116), wk = 0.0018797 k( 208) = ( 0.1438954 0.1438954 0.2877907), wk = 0.0018797 k( 209) = ( 0.1395349 0.1395349 0.2790698), wk = 0.0018797 k( 210) = ( 0.1351744 0.1351744 0.2703488), wk = 0.0018797 k( 211) = ( 0.1308140 0.1308140 0.2616279), wk = 0.0018797 k( 212) = ( 0.1264535 0.1264535 0.2529070), wk = 0.0018797 k( 213) = ( 0.1220930 0.1220930 0.2441860), wk = 0.0018797 k( 214) = ( 0.1177326 0.1177326 0.2354651), wk = 0.0018797 k( 215) = ( 0.1133721 0.1133721 0.2267442), wk = 0.0018797 k( 216) = ( 0.1090116 0.1090116 0.2180233), wk = 0.0018797 k( 217) = ( 0.1046512 0.1046512 0.2093023), wk = 0.0018797 k( 218) = ( 0.1002907 0.1002907 0.2005814), wk = 0.0018797 k( 219) = ( 0.0959302 0.0959302 0.1918605), wk = 0.0018797 k( 220) = ( 0.0915698 0.0915698 0.1831395), wk = 0.0018797 k( 221) = ( 0.0872093 0.0872093 0.1744186), wk = 0.0018797 k( 222) = ( 0.0828488 0.0828488 0.1656977), wk = 0.0018797 k( 223) = ( 0.0784884 0.0784884 0.1569767), wk = 0.0018797 k( 224) = ( 0.0741279 0.0741279 0.1482558), wk = 0.0018797 k( 225) = ( 0.0697674 0.0697674 0.1395349), wk = 0.0018797 k( 226) = ( 0.0654070 0.0654070 0.1308140), wk = 0.0018797 k( 227) = ( 0.0610465 0.0610465 0.1220930), wk = 0.0018797 k( 228) = ( 0.0566861 0.0566861 0.1133721), wk = 0.0018797 k( 229) = ( 0.0523256 0.0523256 0.1046512), wk = 0.0018797 k( 230) = ( 0.0479651 0.0479651 0.0959302), wk = 0.0018797 k( 231) = ( 0.0436047 0.0436047 0.0872093), wk = 0.0018797 k( 232) = ( 0.0392442 0.0392442 0.0784884), wk = 0.0018797 k( 233) = ( 0.0348837 0.0348837 0.0697674), wk = 0.0018797 k( 234) = ( 0.0305233 0.0305233 0.0610465), wk = 0.0018797 k( 235) = ( 0.0261628 0.0261628 0.0523256), wk = 0.0018797 k( 236) = ( 0.0218023 0.0218023 0.0436047), wk = 0.0018797 k( 237) = ( 0.0174419 0.0174419 0.0348837), wk = 0.0018797 k( 238) = ( 0.0130814 0.0130814 0.0261628), wk = 0.0018797 k( 239) = ( 0.0087209 0.0087209 0.0174419), wk = 0.0018797 k( 240) = ( 0.0043605 0.0043605 0.0087209), wk = 0.0018797 k( 241) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018797 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018797 k( 243) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0018797 k( 244) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0018797 k( 245) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0018797 k( 246) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0018797 k( 247) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0018797 k( 248) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0018797 k( 249) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0018797 k( 250) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0018797 k( 251) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0018797 k( 252) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0018797 k( 253) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0018797 k( 254) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0018797 k( 255) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0018797 k( 256) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0018797 k( 257) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0018797 k( 258) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0018797 k( 259) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0018797 k( 260) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0018797 k( 261) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0018797 k( 262) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0018797 k( 263) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0018797 k( 264) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0018797 k( 265) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0018797 k( 266) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0018797 k( 267) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0018797 k( 268) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0018797 k( 269) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0018797 k( 270) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0018797 k( 271) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0018797 k( 272) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0018797 k( 273) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0018797 k( 274) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0018797 k( 275) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0018797 k( 276) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0018797 k( 277) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018797 k( 278) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0018797 k( 279) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0018797 k( 280) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0018797 k( 281) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0018797 k( 282) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0018797 k( 283) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0018797 k( 284) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0018797 k( 285) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0018797 k( 286) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0018797 k( 287) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0018797 k( 288) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0018797 k( 289) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0018797 k( 290) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0018797 k( 291) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0018797 k( 292) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0018797 k( 293) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0018797 k( 294) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0018797 k( 295) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0018797 k( 296) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0018797 k( 297) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0018797 k( 298) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0018797 k( 299) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0018797 k( 300) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0018797 k( 301) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0018797 k( 302) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0018797 k( 303) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0018797 k( 304) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0018797 k( 305) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0018797 k( 306) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0018797 k( 307) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0018797 k( 308) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0018797 k( 309) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0018797 k( 310) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0018797 k( 311) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0018797 k( 312) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018797 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018797 k( 314) = ( 0.5025000 0.4950000 0.5025000), wk = 0.0018797 k( 315) = ( 0.5050000 0.4900000 0.5050000), wk = 0.0018797 k( 316) = ( 0.5075000 0.4850000 0.5075000), wk = 0.0018797 k( 317) = ( 0.5100000 0.4800000 0.5100000), wk = 0.0018797 k( 318) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0018797 k( 319) = ( 0.5150000 0.4700000 0.5150000), wk = 0.0018797 k( 320) = ( 0.5175000 0.4650000 0.5175000), wk = 0.0018797 k( 321) = ( 0.5200000 0.4600000 0.5200000), wk = 0.0018797 k( 322) = ( 0.5225000 0.4550000 0.5225000), wk = 0.0018797 k( 323) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0018797 k( 324) = ( 0.5275000 0.4450000 0.5275000), wk = 0.0018797 k( 325) = ( 0.5300000 0.4400000 0.5300000), wk = 0.0018797 k( 326) = ( 0.5325000 0.4350000 0.5325000), wk = 0.0018797 k( 327) = ( 0.5350000 0.4300000 0.5350000), wk = 0.0018797 k( 328) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0018797 k( 329) = ( 0.5400000 0.4200000 0.5400000), wk = 0.0018797 k( 330) = ( 0.5425000 0.4150000 0.5425000), wk = 0.0018797 k( 331) = ( 0.5450000 0.4100000 0.5450000), wk = 0.0018797 k( 332) = ( 0.5475000 0.4050000 0.5475000), wk = 0.0018797 k( 333) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0018797 k( 334) = ( 0.5525000 0.3950000 0.5525000), wk = 0.0018797 k( 335) = ( 0.5550000 0.3900000 0.5550000), wk = 0.0018797 k( 336) = ( 0.5575000 0.3850000 0.5575000), wk = 0.0018797 k( 337) = ( 0.5600000 0.3800000 0.5600000), wk = 0.0018797 k( 338) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0018797 k( 339) = ( 0.5650000 0.3700000 0.5650000), wk = 0.0018797 k( 340) = ( 0.5675000 0.3650000 0.5675000), wk = 0.0018797 k( 341) = ( 0.5700000 0.3600000 0.5700000), wk = 0.0018797 k( 342) = ( 0.5725000 0.3550000 0.5725000), wk = 0.0018797 k( 343) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0018797 k( 344) = ( 0.5775000 0.3450000 0.5775000), wk = 0.0018797 k( 345) = ( 0.5800000 0.3400000 0.5800000), wk = 0.0018797 k( 346) = ( 0.5825000 0.3350000 0.5825000), wk = 0.0018797 k( 347) = ( 0.5850000 0.3300000 0.5850000), wk = 0.0018797 k( 348) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0018797 k( 349) = ( 0.5900000 0.3200000 0.5900000), wk = 0.0018797 k( 350) = ( 0.5925000 0.3150000 0.5925000), wk = 0.0018797 k( 351) = ( 0.5950000 0.3100000 0.5950000), wk = 0.0018797 k( 352) = ( 0.5975000 0.3050000 0.5975000), wk = 0.0018797 k( 353) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0018797 k( 354) = ( 0.6025000 0.2950000 0.6025000), wk = 0.0018797 k( 355) = ( 0.6050000 0.2900000 0.6050000), wk = 0.0018797 k( 356) = ( 0.6075000 0.2850000 0.6075000), wk = 0.0018797 k( 357) = ( 0.6100000 0.2800000 0.6100000), wk = 0.0018797 k( 358) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0018797 k( 359) = ( 0.6150000 0.2700000 0.6150000), wk = 0.0018797 k( 360) = ( 0.6175000 0.2650000 0.6175000), wk = 0.0018797 k( 361) = ( 0.6200000 0.2600000 0.6200000), wk = 0.0018797 k( 362) = ( 0.6225000 0.2550000 0.6225000), wk = 0.0018797 k( 363) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0018797 k( 364) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0018797 k( 365) = ( 0.6206897 0.2500000 0.6293103), wk = 0.0018797 k( 366) = ( 0.6163793 0.2500000 0.6336207), wk = 0.0018797 k( 367) = ( 0.6120690 0.2500000 0.6379310), wk = 0.0018797 k( 368) = ( 0.6077586 0.2500000 0.6422414), wk = 0.0018797 k( 369) = ( 0.6034483 0.2500000 0.6465517), wk = 0.0018797 k( 370) = ( 0.5991379 0.2500000 0.6508621), wk = 0.0018797 k( 371) = ( 0.5948276 0.2500000 0.6551724), wk = 0.0018797 k( 372) = ( 0.5905172 0.2500000 0.6594828), wk = 0.0018797 k( 373) = ( 0.5862069 0.2500000 0.6637931), wk = 0.0018797 k( 374) = ( 0.5818965 0.2500000 0.6681035), wk = 0.0018797 k( 375) = ( 0.5775862 0.2500000 0.6724138), wk = 0.0018797 k( 376) = ( 0.5732759 0.2500000 0.6767241), wk = 0.0018797 k( 377) = ( 0.5689655 0.2500000 0.6810345), wk = 0.0018797 k( 378) = ( 0.5646552 0.2500000 0.6853448), wk = 0.0018797 k( 379) = ( 0.5603448 0.2500000 0.6896552), wk = 0.0018797 k( 380) = ( 0.5560345 0.2500000 0.6939655), wk = 0.0018797 k( 381) = ( 0.5517241 0.2500000 0.6982759), wk = 0.0018797 k( 382) = ( 0.5474138 0.2500000 0.7025862), wk = 0.0018797 k( 383) = ( 0.5431035 0.2500000 0.7068965), wk = 0.0018797 k( 384) = ( 0.5387931 0.2500000 0.7112069), wk = 0.0018797 k( 385) = ( 0.5344828 0.2500000 0.7155172), wk = 0.0018797 k( 386) = ( 0.5301724 0.2500000 0.7198276), wk = 0.0018797 k( 387) = ( 0.5258621 0.2500000 0.7241379), wk = 0.0018797 k( 388) = ( 0.5215517 0.2500000 0.7284483), wk = 0.0018797 k( 389) = ( 0.5172414 0.2500000 0.7327586), wk = 0.0018797 k( 390) = ( 0.5129310 0.2500000 0.7370690), wk = 0.0018797 k( 391) = ( 0.5086207 0.2500000 0.7413793), wk = 0.0018797 k( 392) = ( 0.5043103 0.2500000 0.7456897), wk = 0.0018797 k( 393) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018797 k( 394) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018797 k( 395) = ( 0.5000000 0.2543860 0.7456140), wk = 0.0018797 k( 396) = ( 0.5000000 0.2587719 0.7412281), wk = 0.0018797 k( 397) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0018797 k( 398) = ( 0.5000000 0.2675439 0.7324561), wk = 0.0018797 k( 399) = ( 0.5000000 0.2719298 0.7280702), wk = 0.0018797 k( 400) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0018797 k( 401) = ( 0.5000000 0.2807018 0.7192982), wk = 0.0018797 k( 402) = ( 0.5000000 0.2850877 0.7149123), wk = 0.0018797 k( 403) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0018797 k( 404) = ( 0.5000000 0.2938596 0.7061403), wk = 0.0018797 k( 405) = ( 0.5000000 0.2982456 0.7017544), wk = 0.0018797 k( 406) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0018797 k( 407) = ( 0.5000000 0.3070175 0.6929825), wk = 0.0018797 k( 408) = ( 0.5000000 0.3114035 0.6885965), wk = 0.0018797 k( 409) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0018797 k( 410) = ( 0.5000000 0.3201754 0.6798246), wk = 0.0018797 k( 411) = ( 0.5000000 0.3245614 0.6754386), wk = 0.0018797 k( 412) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0018797 k( 413) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0018797 k( 414) = ( 0.5000000 0.3377193 0.6622807), wk = 0.0018797 k( 415) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0018797 k( 416) = ( 0.5000000 0.3464912 0.6535088), wk = 0.0018797 k( 417) = ( 0.5000000 0.3508772 0.6491228), wk = 0.0018797 k( 418) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0018797 k( 419) = ( 0.5000000 0.3596491 0.6403509), wk = 0.0018797 k( 420) = ( 0.5000000 0.3640351 0.6359649), wk = 0.0018797 k( 421) = ( 0.5000000 0.3684211 0.6315789), wk = 0.0018797 k( 422) = ( 0.5000000 0.3728070 0.6271930), wk = 0.0018797 k( 423) = ( 0.5000000 0.3771930 0.6228070), wk = 0.0018797 k( 424) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0018797 k( 425) = ( 0.5000000 0.3859649 0.6140351), wk = 0.0018797 k( 426) = ( 0.5000000 0.3903509 0.6096491), wk = 0.0018797 k( 427) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0018797 k( 428) = ( 0.5000000 0.3991228 0.6008772), wk = 0.0018797 k( 429) = ( 0.5000000 0.4035088 0.5964912), wk = 0.0018797 k( 430) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0018797 k( 431) = ( 0.5000000 0.4122807 0.5877193), wk = 0.0018797 k( 432) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0018797 k( 433) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0018797 k( 434) = ( 0.5000000 0.4254386 0.5745614), wk = 0.0018797 k( 435) = ( 0.5000000 0.4298246 0.5701754), wk = 0.0018797 k( 436) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0018797 k( 437) = ( 0.5000000 0.4385965 0.5614035), wk = 0.0018797 k( 438) = ( 0.5000000 0.4429825 0.5570175), wk = 0.0018797 k( 439) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0018797 k( 440) = ( 0.5000000 0.4517544 0.5482456), wk = 0.0018797 k( 441) = ( 0.5000000 0.4561404 0.5438596), wk = 0.0018797 k( 442) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0018797 k( 443) = ( 0.5000000 0.4649123 0.5350877), wk = 0.0018797 k( 444) = ( 0.5000000 0.4692983 0.5307017), wk = 0.0018797 k( 445) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0018797 k( 446) = ( 0.5000000 0.4780702 0.5219298), wk = 0.0018797 k( 447) = ( 0.5000000 0.4824561 0.5175439), wk = 0.0018797 k( 448) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0018797 k( 449) = ( 0.5000000 0.4912281 0.5087719), wk = 0.0018797 k( 450) = ( 0.5000000 0.4956140 0.5043860), wk = 0.0018797 k( 451) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018797 k( 452) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018797 k( 453) = ( 0.4975000 0.4975000 0.5050000), wk = 0.0018797 k( 454) = ( 0.4950000 0.4950000 0.5100000), wk = 0.0018797 k( 455) = ( 0.4925000 0.4925000 0.5150000), wk = 0.0018797 k( 456) = ( 0.4900000 0.4900000 0.5200000), wk = 0.0018797 k( 457) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0018797 k( 458) = ( 0.4850000 0.4850000 0.5300000), wk = 0.0018797 k( 459) = ( 0.4825000 0.4825000 0.5350000), wk = 0.0018797 k( 460) = ( 0.4800000 0.4800000 0.5400000), wk = 0.0018797 k( 461) = ( 0.4775000 0.4775000 0.5450000), wk = 0.0018797 k( 462) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0018797 k( 463) = ( 0.4725000 0.4725000 0.5550000), wk = 0.0018797 k( 464) = ( 0.4700000 0.4700000 0.5600000), wk = 0.0018797 k( 465) = ( 0.4675000 0.4675000 0.5650000), wk = 0.0018797 k( 466) = ( 0.4650000 0.4650000 0.5700000), wk = 0.0018797 k( 467) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0018797 k( 468) = ( 0.4600000 0.4600000 0.5800000), wk = 0.0018797 k( 469) = ( 0.4575000 0.4575000 0.5850000), wk = 0.0018797 k( 470) = ( 0.4550000 0.4550000 0.5900000), wk = 0.0018797 k( 471) = ( 0.4525000 0.4525000 0.5950000), wk = 0.0018797 k( 472) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0018797 k( 473) = ( 0.4475000 0.4475000 0.6050000), wk = 0.0018797 k( 474) = ( 0.4450000 0.4450000 0.6100000), wk = 0.0018797 k( 475) = ( 0.4425000 0.4425000 0.6150000), wk = 0.0018797 k( 476) = ( 0.4400000 0.4400000 0.6200000), wk = 0.0018797 k( 477) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0018797 k( 478) = ( 0.4350000 0.4350000 0.6300000), wk = 0.0018797 k( 479) = ( 0.4325000 0.4325000 0.6350000), wk = 0.0018797 k( 480) = ( 0.4300000 0.4300000 0.6400000), wk = 0.0018797 k( 481) = ( 0.4275000 0.4275000 0.6450000), wk = 0.0018797 k( 482) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0018797 k( 483) = ( 0.4225000 0.4225000 0.6550000), wk = 0.0018797 k( 484) = ( 0.4200000 0.4200000 0.6600000), wk = 0.0018797 k( 485) = ( 0.4175000 0.4175000 0.6650000), wk = 0.0018797 k( 486) = ( 0.4150000 0.4150000 0.6700000), wk = 0.0018797 k( 487) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0018797 k( 488) = ( 0.4100000 0.4100000 0.6800000), wk = 0.0018797 k( 489) = ( 0.4075000 0.4075000 0.6850000), wk = 0.0018797 k( 490) = ( 0.4050000 0.4050000 0.6900000), wk = 0.0018797 k( 491) = ( 0.4025000 0.4025000 0.6950000), wk = 0.0018797 k( 492) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0018797 k( 493) = ( 0.3975000 0.3975000 0.7050000), wk = 0.0018797 k( 494) = ( 0.3950000 0.3950000 0.7100000), wk = 0.0018797 k( 495) = ( 0.3925000 0.3925000 0.7150000), wk = 0.0018797 k( 496) = ( 0.3900000 0.3900000 0.7200000), wk = 0.0018797 k( 497) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0018797 k( 498) = ( 0.3850000 0.3850000 0.7300000), wk = 0.0018797 k( 499) = ( 0.3825000 0.3825000 0.7350000), wk = 0.0018797 k( 500) = ( 0.3800000 0.3800000 0.7400000), wk = 0.0018797 k( 501) = ( 0.3775000 0.3775000 0.7450000), wk = 0.0018797 k( 502) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0018797 k( 503) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0018797 k( 504) = ( 0.6206897 0.2413793 0.6206897), wk = 0.0018797 k( 505) = ( 0.6163793 0.2327586 0.6163793), wk = 0.0018797 k( 506) = ( 0.6120690 0.2241379 0.6120690), wk = 0.0018797 k( 507) = ( 0.6077586 0.2155172 0.6077586), wk = 0.0018797 k( 508) = ( 0.6034483 0.2068966 0.6034483), wk = 0.0018797 k( 509) = ( 0.5991379 0.1982759 0.5991379), wk = 0.0018797 k( 510) = ( 0.5948276 0.1896552 0.5948276), wk = 0.0018797 k( 511) = ( 0.5905172 0.1810345 0.5905172), wk = 0.0018797 k( 512) = ( 0.5862069 0.1724138 0.5862069), wk = 0.0018797 k( 513) = ( 0.5818965 0.1637931 0.5818965), wk = 0.0018797 k( 514) = ( 0.5775862 0.1551724 0.5775862), wk = 0.0018797 k( 515) = ( 0.5732759 0.1465517 0.5732759), wk = 0.0018797 k( 516) = ( 0.5689655 0.1379310 0.5689655), wk = 0.0018797 k( 517) = ( 0.5646552 0.1293103 0.5646552), wk = 0.0018797 k( 518) = ( 0.5603448 0.1206897 0.5603448), wk = 0.0018797 k( 519) = ( 0.5560345 0.1120690 0.5560345), wk = 0.0018797 k( 520) = ( 0.5517241 0.1034483 0.5517241), wk = 0.0018797 k( 521) = ( 0.5474138 0.0948276 0.5474138), wk = 0.0018797 k( 522) = ( 0.5431035 0.0862069 0.5431035), wk = 0.0018797 k( 523) = ( 0.5387931 0.0775862 0.5387931), wk = 0.0018797 k( 524) = ( 0.5344828 0.0689655 0.5344828), wk = 0.0018797 k( 525) = ( 0.5301724 0.0603448 0.5301724), wk = 0.0018797 k( 526) = ( 0.5258621 0.0517241 0.5258621), wk = 0.0018797 k( 527) = ( 0.5215517 0.0431034 0.5215517), wk = 0.0018797 k( 528) = ( 0.5172414 0.0344828 0.5172414), wk = 0.0018797 k( 529) = ( 0.5129310 0.0258621 0.5129310), wk = 0.0018797 k( 530) = ( 0.5086207 0.0172414 0.5086207), wk = 0.0018797 k( 531) = ( 0.5043103 0.0086207 0.5043103), wk = 0.0018797 k( 532) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018797 Dense grid: 15473 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 3647 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 24, 18) NL pseudopotentials 0.01 Mb ( 12, 34) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 432) G-vector shells 0.00 Mb ( 151) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 24, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.02 Mb ( 34, 2, 18) The potential is recalculated from file : ./Pt.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 3.8 secs Computing kpt #: 14 total cpu time spent up to now is 3.9 secs Computing kpt #: 15 total cpu time spent up to now is 4.0 secs Computing kpt #: 16 total cpu time spent up to now is 4.1 secs Computing kpt #: 17 total cpu time spent up to now is 4.2 secs Computing kpt #: 18 total cpu time spent up to now is 4.3 secs Computing kpt #: 19 total cpu time spent up to now is 4.4 secs Computing kpt #: 20 total cpu time spent up to now is 4.5 secs Computing kpt #: 21 total cpu time spent up to now is 4.6 secs Computing kpt #: 22 total cpu time spent up to now is 4.7 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.8 secs Computing kpt #: 25 total cpu time spent up to now is 4.9 secs Computing kpt #: 26 total cpu time spent up to now is 5.0 secs Computing kpt #: 27 total cpu time spent up to now is 5.0 secs Computing kpt #: 28 total cpu time spent up to now is 5.1 secs Computing kpt #: 29 total cpu time spent up to now is 5.2 secs Computing kpt #: 30 total cpu time spent up to now is 5.2 secs Computing kpt #: 31 total cpu time spent up to now is 5.3 secs Computing kpt #: 32 total cpu time spent up to now is 5.4 secs Computing kpt #: 33 total cpu time spent up to now is 5.5 secs Computing kpt #: 34 total cpu time spent up to now is 5.6 secs Computing kpt #: 35 total cpu time spent up to now is 5.7 secs Computing kpt #: 36 total cpu time spent up to now is 5.8 secs Computing kpt #: 37 total cpu time spent up to now is 5.9 secs Computing kpt #: 38 total cpu time spent up to now is 6.0 secs Computing kpt #: 39 total cpu time spent up to now is 6.0 secs Computing kpt #: 40 total cpu time spent up to now is 6.1 secs Computing kpt #: 41 total cpu time spent up to now is 6.2 secs Computing kpt #: 42 total cpu time spent up to now is 6.2 secs Computing kpt #: 43 total cpu time spent up to now is 6.3 secs Computing kpt #: 44 total cpu time spent up to now is 6.4 secs Computing kpt #: 45 total cpu time spent up to now is 6.4 secs Computing kpt #: 46 total cpu time spent up to now is 6.5 secs Computing kpt #: 47 total cpu time spent up to now is 6.6 secs Computing kpt #: 48 total cpu time spent up to now is 6.7 secs Computing kpt #: 49 total cpu time spent up to now is 6.7 secs Computing kpt #: 50 total cpu time spent up to now is 6.8 secs Computing kpt #: 51 total cpu time spent up to now is 6.9 secs Computing kpt #: 52 total cpu time spent up to now is 6.9 secs Computing kpt #: 53 total cpu time spent up to now is 7.0 secs Computing kpt #: 54 total cpu time spent up to now is 7.1 secs Computing kpt #: 55 total cpu time spent up to now is 7.1 secs Computing kpt #: 56 total cpu time spent up to now is 7.2 secs Computing kpt #: 57 total cpu time spent up to now is 7.2 secs Computing kpt #: 58 total cpu time spent up to now is 7.3 secs Computing kpt #: 59 total cpu time spent up to now is 7.4 secs Computing kpt #: 60 total cpu time spent up to now is 7.4 secs Computing kpt #: 61 total cpu time spent up to now is 7.5 secs Computing kpt #: 62 total cpu time spent up to now is 7.5 secs Computing kpt #: 63 total cpu time spent up to now is 7.6 secs Computing kpt #: 64 total cpu time spent up to now is 8.2 secs Computing kpt #: 65 total cpu time spent up to now is 8.2 secs Computing kpt #: 66 total cpu time spent up to now is 8.3 secs Computing kpt #: 67 total cpu time spent up to now is 8.3 secs Computing kpt #: 68 total cpu time spent up to now is 8.4 secs Computing kpt #: 69 total cpu time spent up to now is 8.4 secs Computing kpt #: 70 total cpu time spent up to now is 8.5 secs Computing kpt #: 71 total cpu time spent up to now is 8.5 secs Computing kpt #: 72 total cpu time spent up to now is 8.6 secs Computing kpt #: 73 total cpu time spent up to now is 8.6 secs Computing kpt #: 74 total cpu time spent up to now is 8.7 secs Computing kpt #: 75 total cpu time spent up to now is 8.7 secs Computing kpt #: 76 total cpu time spent up to now is 8.8 secs Computing kpt #: 77 total cpu time spent up to now is 8.9 secs Computing kpt #: 78 total cpu time spent up to now is 8.9 secs Computing kpt #: 79 total cpu time spent up to now is 9.0 secs Computing kpt #: 80 total cpu time spent up to now is 9.0 secs Computing kpt #: 81 total cpu time spent up to now is 9.1 secs Computing kpt #: 82 total cpu time spent up to now is 9.1 secs Computing kpt #: 83 total cpu time spent up to now is 9.2 secs Computing kpt #: 84 total cpu time spent up to now is 9.2 secs Computing kpt #: 85 total cpu time spent up to now is 9.3 secs Computing kpt #: 86 total cpu time spent up to now is 9.3 secs Computing kpt #: 87 total cpu time spent up to now is 9.4 secs Computing kpt #: 88 total cpu time spent up to now is 9.4 secs Computing kpt #: 89 total cpu time spent up to now is 9.5 secs Computing kpt #: 90 total cpu time spent up to now is 9.5 secs Computing kpt #: 91 total cpu time spent up to now is 9.6 secs Computing kpt #: 92 total cpu time spent up to now is 9.6 secs Computing kpt #: 93 total cpu time spent up to now is 9.7 secs Computing kpt #: 94 total cpu time spent up to now is 9.7 secs Computing kpt #: 95 total cpu time spent up to now is 9.8 secs Computing kpt #: 96 total cpu time spent up to now is 9.8 secs Computing kpt #: 97 total cpu time spent up to now is 9.9 secs Computing kpt #: 98 total cpu time spent up to now is 9.9 secs Computing kpt #: 99 total cpu time spent up to now is 10.0 secs Computing kpt #: 100 total cpu time spent up to now is 10.0 secs Computing kpt #: 101 total cpu time spent up to now is 10.1 secs Computing kpt #: 102 total cpu time spent up to now is 10.2 secs Computing kpt #: 103 total cpu time spent up to now is 10.2 secs Computing kpt #: 104 total cpu time spent up to now is 10.3 secs Computing kpt #: 105 total cpu time spent up to now is 10.3 secs Computing kpt #: 106 total cpu time spent up to now is 10.4 secs Computing kpt #: 107 total cpu time spent up to now is 10.4 secs Computing kpt #: 108 total cpu time spent up to now is 10.5 secs Computing kpt #: 109 total cpu time spent up to now is 10.5 secs Computing kpt #: 110 total cpu time spent up to now is 10.6 secs Computing kpt #: 111 total cpu time spent up to now is 10.6 secs Computing kpt #: 112 total cpu time spent up to now is 10.7 secs Computing kpt #: 113 total cpu time spent up to now is 10.7 secs Computing kpt #: 114 total cpu time spent up to now is 10.8 secs Computing kpt #: 115 total cpu time spent up to now is 10.8 secs Computing kpt #: 116 total cpu time spent up to now is 10.9 secs Computing kpt #: 117 total cpu time spent up to now is 10.9 secs Computing kpt #: 118 total cpu time spent up to now is 11.0 secs Computing kpt #: 119 total cpu time spent up to now is 11.0 secs Computing kpt #: 120 total cpu time spent up to now is 11.1 secs Computing kpt #: 121 total cpu time spent up to now is 11.1 secs Computing kpt #: 122 total cpu time spent up to now is 11.2 secs Computing kpt #: 123 total cpu time spent up to now is 11.3 secs Computing kpt #: 124 total cpu time spent up to now is 11.3 secs Computing kpt #: 125 total cpu time spent up to now is 11.4 secs Computing kpt #: 126 total cpu time spent up to now is 11.4 secs Computing kpt #: 127 total cpu time spent up to now is 11.5 secs Computing kpt #: 128 total cpu time spent up to now is 11.5 secs Computing kpt #: 129 total cpu time spent up to now is 11.6 secs Computing kpt #: 130 total cpu time spent up to now is 11.6 secs Computing kpt #: 131 total cpu time spent up to now is 11.7 secs Computing kpt #: 132 total cpu time spent up to now is 11.7 secs Computing kpt #: 133 total cpu time spent up to now is 11.8 secs Computing kpt #: 134 total cpu time spent up to now is 11.8 secs Computing kpt #: 135 total cpu time spent up to now is 11.9 secs Computing kpt #: 136 total cpu time spent up to now is 11.9 secs Computing kpt #: 137 total cpu time spent up to now is 12.0 secs Computing kpt #: 138 total cpu time spent up to now is 12.0 secs Computing kpt #: 139 total cpu time spent up to now is 12.1 secs Computing kpt #: 140 total cpu time spent up to now is 12.1 secs Computing kpt #: 141 total cpu time spent up to now is 12.2 secs Computing kpt #: 142 total cpu time spent up to now is 12.3 secs Computing kpt #: 143 total cpu time spent up to now is 12.3 secs Computing kpt #: 144 total cpu time spent up to now is 12.4 secs Computing kpt #: 145 total cpu time spent up to now is 12.4 secs Computing kpt #: 146 total cpu time spent up to now is 12.5 secs Computing kpt #: 147 total cpu time spent up to now is 12.5 secs Computing kpt #: 148 total cpu time spent up to now is 12.6 secs Computing kpt #: 149 total cpu time spent up to now is 12.6 secs Computing kpt #: 150 total cpu time spent up to now is 13.2 secs Computing kpt #: 151 total cpu time spent up to now is 13.2 secs Computing kpt #: 152 total cpu time spent up to now is 13.3 secs Computing kpt #: 153 total cpu time spent up to now is 13.3 secs Computing kpt #: 154 total cpu time spent up to now is 13.4 secs Computing kpt #: 155 total cpu time spent up to now is 13.4 secs Computing kpt #: 156 total cpu time spent up to now is 13.5 secs Computing kpt #: 157 total cpu time spent up to now is 13.6 secs Computing kpt #: 158 total cpu time spent up to now is 13.6 secs Computing kpt #: 159 total cpu time spent up to now is 13.7 secs Computing kpt #: 160 total cpu time spent up to now is 13.7 secs Computing kpt #: 161 total cpu time spent up to now is 13.8 secs Computing kpt #: 162 total cpu time spent up to now is 13.8 secs Computing kpt #: 163 total cpu time spent up to now is 13.9 secs Computing kpt #: 164 total cpu time spent up to now is 14.0 secs Computing kpt #: 165 total cpu time spent up to now is 14.0 secs Computing kpt #: 166 total cpu time spent up to now is 14.1 secs Computing kpt #: 167 total cpu time spent up to now is 14.2 secs Computing kpt #: 168 total cpu time spent up to now is 14.2 secs Computing kpt #: 169 total cpu time spent up to now is 14.3 secs Computing kpt #: 170 total cpu time spent up to now is 14.4 secs Computing kpt #: 171 total cpu time spent up to now is 14.4 secs Computing kpt #: 172 total cpu time spent up to now is 14.5 secs Computing kpt #: 173 total cpu time spent up to now is 14.6 secs Computing kpt #: 174 total cpu time spent up to now is 14.6 secs Computing kpt #: 175 total cpu time spent up to now is 14.7 secs Computing kpt #: 176 total cpu time spent up to now is 14.8 secs Computing kpt #: 177 total cpu time spent up to now is 14.9 secs Computing kpt #: 178 total cpu time spent up to now is 14.9 secs Computing kpt #: 179 total cpu time spent up to now is 15.0 secs Computing kpt #: 180 total cpu time spent up to now is 15.1 secs Computing kpt #: 181 total cpu time spent up to now is 15.2 secs Computing kpt #: 182 total cpu time spent up to now is 15.2 secs Computing kpt #: 183 total cpu time spent up to now is 15.3 secs Computing kpt #: 184 total cpu time spent up to now is 15.4 secs Computing kpt #: 185 total cpu time spent up to now is 15.4 secs Computing kpt #: 186 total cpu time spent up to now is 15.5 secs Computing kpt #: 187 total cpu time spent up to now is 15.6 secs Computing kpt #: 188 total cpu time spent up to now is 15.6 secs Computing kpt #: 189 total cpu time spent up to now is 15.7 secs Computing kpt #: 190 total cpu time spent up to now is 15.8 secs Computing kpt #: 191 total cpu time spent up to now is 15.8 secs Computing kpt #: 192 total cpu time spent up to now is 15.9 secs Computing kpt #: 193 total cpu time spent up to now is 16.0 secs Computing kpt #: 194 total cpu time spent up to now is 16.0 secs Computing kpt #: 195 total cpu time spent up to now is 16.1 secs Computing kpt #: 196 total cpu time spent up to now is 16.2 secs Computing kpt #: 197 total cpu time spent up to now is 16.2 secs Computing kpt #: 198 total cpu time spent up to now is 16.3 secs Computing kpt #: 199 total cpu time spent up to now is 16.4 secs Computing kpt #: 200 total cpu time spent up to now is 16.4 secs Computing kpt #: 201 total cpu time spent up to now is 16.5 secs Computing kpt #: 202 total cpu time spent up to now is 16.6 secs Computing kpt #: 203 total cpu time spent up to now is 16.7 secs Computing kpt #: 204 total cpu time spent up to now is 16.7 secs Computing kpt #: 205 total cpu time spent up to now is 16.8 secs Computing kpt #: 206 total cpu time spent up to now is 16.9 secs Computing kpt #: 207 total cpu time spent up to now is 16.9 secs Computing kpt #: 208 total cpu time spent up to now is 17.0 secs Computing kpt #: 209 total cpu time spent up to now is 17.1 secs Computing kpt #: 210 total cpu time spent up to now is 17.1 secs Computing kpt #: 211 total cpu time spent up to now is 17.2 secs Computing kpt #: 212 total cpu time spent up to now is 17.3 secs Computing kpt #: 213 total cpu time spent up to now is 17.3 secs Computing kpt #: 214 total cpu time spent up to now is 17.4 secs Computing kpt #: 215 total cpu time spent up to now is 17.5 secs Computing kpt #: 216 total cpu time spent up to now is 17.6 secs Computing kpt #: 217 total cpu time spent up to now is 17.6 secs Computing kpt #: 218 total cpu time spent up to now is 17.7 secs Computing kpt #: 219 total cpu time spent up to now is 17.8 secs Computing kpt #: 220 total cpu time spent up to now is 17.9 secs Computing kpt #: 221 total cpu time spent up to now is 17.9 secs Computing kpt #: 222 total cpu time spent up to now is 18.0 secs Computing kpt #: 223 total cpu time spent up to now is 18.1 secs Computing kpt #: 224 total cpu time spent up to now is 18.2 secs Computing kpt #: 225 total cpu time spent up to now is 18.3 secs Computing kpt #: 226 total cpu time spent up to now is 18.4 secs Computing kpt #: 227 total cpu time spent up to now is 18.5 secs Computing kpt #: 228 total cpu time spent up to now is 18.6 secs Computing kpt #: 229 total cpu time spent up to now is 18.6 secs Computing kpt #: 230 total cpu time spent up to now is 18.7 secs Computing kpt #: 231 total cpu time spent up to now is 18.8 secs Computing kpt #: 232 total cpu time spent up to now is 18.9 secs Computing kpt #: 233 total cpu time spent up to now is 19.0 secs Computing kpt #: 234 total cpu time spent up to now is 19.1 secs Computing kpt #: 235 total cpu time spent up to now is 19.2 secs Computing kpt #: 236 total cpu time spent up to now is 19.3 secs Computing kpt #: 237 total cpu time spent up to now is 19.4 secs Computing kpt #: 238 total cpu time spent up to now is 19.5 secs Computing kpt #: 239 total cpu time spent up to now is 19.7 secs Computing kpt #: 240 total cpu time spent up to now is 19.8 secs Computing kpt #: 241 total cpu time spent up to now is 19.8 secs Computing kpt #: 242 total cpu time spent up to now is 19.9 secs Computing kpt #: 243 total cpu time spent up to now is 20.0 secs Computing kpt #: 244 total cpu time spent up to now is 20.1 secs Computing kpt #: 245 total cpu time spent up to now is 20.2 secs Computing kpt #: 246 total cpu time spent up to now is 20.3 secs Computing kpt #: 247 total cpu time spent up to now is 20.4 secs Computing kpt #: 248 total cpu time spent up to now is 20.5 secs Computing kpt #: 249 total cpu time spent up to now is 20.6 secs Computing kpt #: 250 total cpu time spent up to now is 20.7 secs Computing kpt #: 251 total cpu time spent up to now is 20.8 secs Computing kpt #: 252 total cpu time spent up to now is 20.9 secs Computing kpt #: 253 total cpu time spent up to now is 21.1 secs Computing kpt #: 254 total cpu time spent up to now is 21.2 secs Computing kpt #: 255 total cpu time spent up to now is 21.3 secs Computing kpt #: 256 total cpu time spent up to now is 21.4 secs Computing kpt #: 257 total cpu time spent up to now is 21.5 secs Computing kpt #: 258 total cpu time spent up to now is 21.6 secs Computing kpt #: 259 total cpu time spent up to now is 21.7 secs Computing kpt #: 260 total cpu time spent up to now is 21.8 secs Computing kpt #: 261 total cpu time spent up to now is 21.9 secs Computing kpt #: 262 total cpu time spent up to now is 22.0 secs Computing kpt #: 263 total cpu time spent up to now is 22.2 secs Computing kpt #: 264 total cpu time spent up to now is 22.3 secs Computing kpt #: 265 total cpu time spent up to now is 22.4 secs Computing kpt #: 266 total cpu time spent up to now is 22.5 secs Computing kpt #: 267 total cpu time spent up to now is 22.6 secs Computing kpt #: 268 total cpu time spent up to now is 22.8 secs Computing kpt #: 269 total cpu time spent up to now is 22.9 secs Computing kpt #: 270 total cpu time spent up to now is 23.0 secs Computing kpt #: 271 total cpu time spent up to now is 23.1 secs Computing kpt #: 272 total cpu time spent up to now is 23.2 secs Computing kpt #: 273 total cpu time spent up to now is 23.3 secs Computing kpt #: 274 total cpu time spent up to now is 23.4 secs Computing kpt #: 275 total cpu time spent up to now is 23.5 secs Computing kpt #: 276 total cpu time spent up to now is 23.5 secs Computing kpt #: 277 total cpu time spent up to now is 23.6 secs Computing kpt #: 278 total cpu time spent up to now is 23.7 secs Computing kpt #: 279 total cpu time spent up to now is 23.8 secs Computing kpt #: 280 total cpu time spent up to now is 23.9 secs Computing kpt #: 281 total cpu time spent up to now is 24.0 secs Computing kpt #: 282 total cpu time spent up to now is 24.0 secs Computing kpt #: 283 total cpu time spent up to now is 24.1 secs Computing kpt #: 284 total cpu time spent up to now is 24.2 secs Computing kpt #: 285 total cpu time spent up to now is 24.3 secs Computing kpt #: 286 total cpu time spent up to now is 24.4 secs Computing kpt #: 287 total cpu time spent up to now is 24.5 secs Computing kpt #: 288 total cpu time spent up to now is 24.6 secs Computing kpt #: 289 total cpu time spent up to now is 24.6 secs Computing kpt #: 290 total cpu time spent up to now is 24.7 secs Computing kpt #: 291 total cpu time spent up to now is 24.8 secs Computing kpt #: 292 total cpu time spent up to now is 24.9 secs Computing kpt #: 293 total cpu time spent up to now is 25.0 secs Computing kpt #: 294 total cpu time spent up to now is 25.1 secs Computing kpt #: 295 total cpu time spent up to now is 25.2 secs Computing kpt #: 296 total cpu time spent up to now is 25.3 secs Computing kpt #: 297 total cpu time spent up to now is 25.4 secs Computing kpt #: 298 total cpu time spent up to now is 25.5 secs Computing kpt #: 299 total cpu time spent up to now is 25.6 secs Computing kpt #: 300 total cpu time spent up to now is 25.6 secs Computing kpt #: 301 total cpu time spent up to now is 25.7 secs Computing kpt #: 302 total cpu time spent up to now is 25.8 secs Computing kpt #: 303 total cpu time spent up to now is 25.9 secs Computing kpt #: 304 total cpu time spent up to now is 25.9 secs Computing kpt #: 305 total cpu time spent up to now is 26.0 secs Computing kpt #: 306 total cpu time spent up to now is 26.1 secs Computing kpt #: 307 total cpu time spent up to now is 26.2 secs Computing kpt #: 308 total cpu time spent up to now is 26.2 secs Computing kpt #: 309 total cpu time spent up to now is 26.3 secs Computing kpt #: 310 total cpu time spent up to now is 26.4 secs Computing kpt #: 311 total cpu time spent up to now is 26.4 secs Computing kpt #: 312 total cpu time spent up to now is 26.5 secs Computing kpt #: 313 total cpu time spent up to now is 26.6 secs Computing kpt #: 314 total cpu time spent up to now is 26.6 secs Computing kpt #: 315 total cpu time spent up to now is 26.7 secs Computing kpt #: 316 total cpu time spent up to now is 26.8 secs Computing kpt #: 317 total cpu time spent up to now is 26.8 secs Computing kpt #: 318 total cpu time spent up to now is 26.9 secs Computing kpt #: 319 total cpu time spent up to now is 27.0 secs Computing kpt #: 320 total cpu time spent up to now is 27.0 secs Computing kpt #: 321 total cpu time spent up to now is 27.1 secs Computing kpt #: 322 total cpu time spent up to now is 27.2 secs Computing kpt #: 323 total cpu time spent up to now is 27.3 secs Computing kpt #: 324 total cpu time spent up to now is 27.3 secs Computing kpt #: 325 total cpu time spent up to now is 27.4 secs Computing kpt #: 326 total cpu time spent up to now is 27.5 secs Computing kpt #: 327 total cpu time spent up to now is 27.5 secs Computing kpt #: 328 total cpu time spent up to now is 27.6 secs Computing kpt #: 329 total cpu time spent up to now is 27.6 secs Computing kpt #: 330 total cpu time spent up to now is 27.7 secs Computing kpt #: 331 total cpu time spent up to now is 27.8 secs Computing kpt #: 332 total cpu time spent up to now is 27.9 secs Computing kpt #: 333 total cpu time spent up to now is 28.0 secs Computing kpt #: 334 total cpu time spent up to now is 28.0 secs Computing kpt #: 335 total cpu time spent up to now is 28.1 secs Computing kpt #: 336 total cpu time spent up to now is 28.2 secs Computing kpt #: 337 total cpu time spent up to now is 28.2 secs Computing kpt #: 338 total cpu time spent up to now is 28.3 secs Computing kpt #: 339 total cpu time spent up to now is 28.4 secs Computing kpt #: 340 total cpu time spent up to now is 28.4 secs Computing kpt #: 341 total cpu time spent up to now is 28.5 secs Computing kpt #: 342 total cpu time spent up to now is 28.6 secs Computing kpt #: 343 total cpu time spent up to now is 28.6 secs Computing kpt #: 344 total cpu time spent up to now is 28.7 secs Computing kpt #: 345 total cpu time spent up to now is 28.8 secs Computing kpt #: 346 total cpu time spent up to now is 28.8 secs Computing kpt #: 347 total cpu time spent up to now is 28.9 secs Computing kpt #: 348 total cpu time spent up to now is 28.9 secs Computing kpt #: 349 total cpu time spent up to now is 29.0 secs Computing kpt #: 350 total cpu time spent up to now is 29.1 secs Computing kpt #: 351 total cpu time spent up to now is 29.1 secs Computing kpt #: 352 total cpu time spent up to now is 29.2 secs Computing kpt #: 353 total cpu time spent up to now is 29.2 secs Computing kpt #: 354 total cpu time spent up to now is 29.3 secs Computing kpt #: 355 total cpu time spent up to now is 29.4 secs Computing kpt #: 356 total cpu time spent up to now is 29.4 secs Computing kpt #: 357 total cpu time spent up to now is 29.5 secs Computing kpt #: 358 total cpu time spent up to now is 29.5 secs Computing kpt #: 359 total cpu time spent up to now is 29.6 secs Computing kpt #: 360 total cpu time spent up to now is 29.6 secs Computing kpt #: 361 total cpu time spent up to now is 29.7 secs Computing kpt #: 362 total cpu time spent up to now is 29.8 secs Computing kpt #: 363 total cpu time spent up to now is 29.8 secs Computing kpt #: 364 total cpu time spent up to now is 29.9 secs Computing kpt #: 365 total cpu time spent up to now is 29.9 secs Computing kpt #: 366 total cpu time spent up to now is 30.0 secs Computing kpt #: 367 total cpu time spent up to now is 30.0 secs Computing kpt #: 368 total cpu time spent up to now is 30.1 secs Computing kpt #: 369 total cpu time spent up to now is 30.1 secs Computing kpt #: 370 total cpu time spent up to now is 30.2 secs Computing kpt #: 371 total cpu time spent up to now is 30.3 secs Computing kpt #: 372 total cpu time spent up to now is 30.3 secs Computing kpt #: 373 total cpu time spent up to now is 30.4 secs Computing kpt #: 374 total cpu time spent up to now is 30.4 secs Computing kpt #: 375 total cpu time spent up to now is 30.5 secs Computing kpt #: 376 total cpu time spent up to now is 30.5 secs Computing kpt #: 377 total cpu time spent up to now is 30.6 secs Computing kpt #: 378 total cpu time spent up to now is 30.6 secs Computing kpt #: 379 total cpu time spent up to now is 30.7 secs Computing kpt #: 380 total cpu time spent up to now is 30.7 secs Computing kpt #: 381 total cpu time spent up to now is 30.8 secs Computing kpt #: 382 total cpu time spent up to now is 30.8 secs Computing kpt #: 383 total cpu time spent up to now is 30.9 secs Computing kpt #: 384 total cpu time spent up to now is 31.0 secs Computing kpt #: 385 total cpu time spent up to now is 31.0 secs Computing kpt #: 386 total cpu time spent up to now is 31.1 secs Computing kpt #: 387 total cpu time spent up to now is 31.1 secs Computing kpt #: 388 total cpu time spent up to now is 31.2 secs Computing kpt #: 389 total cpu time spent up to now is 31.2 secs Computing kpt #: 390 total cpu time spent up to now is 31.3 secs Computing kpt #: 391 total cpu time spent up to now is 31.3 secs Computing kpt #: 392 total cpu time spent up to now is 31.4 secs Computing kpt #: 393 total cpu time spent up to now is 31.4 secs Computing kpt #: 394 total cpu time spent up to now is 31.5 secs Computing kpt #: 395 total cpu time spent up to now is 31.5 secs Computing kpt #: 396 total cpu time spent up to now is 31.6 secs Computing kpt #: 397 total cpu time spent up to now is 31.6 secs Computing kpt #: 398 total cpu time spent up to now is 31.7 secs Computing kpt #: 399 total cpu time spent up to now is 31.7 secs Computing kpt #: 400 total cpu time spent up to now is 31.8 secs Computing kpt #: 401 total cpu time spent up to now is 31.8 secs Computing kpt #: 402 total cpu time spent up to now is 31.9 secs Computing kpt #: 403 total cpu time spent up to now is 31.9 secs Computing kpt #: 404 total cpu time spent up to now is 32.0 secs Computing kpt #: 405 total cpu time spent up to now is 32.0 secs Computing kpt #: 406 total cpu time spent up to now is 32.1 secs Computing kpt #: 407 total cpu time spent up to now is 32.1 secs Computing kpt #: 408 total cpu time spent up to now is 32.2 secs Computing kpt #: 409 total cpu time spent up to now is 32.3 secs Computing kpt #: 410 total cpu time spent up to now is 32.3 secs Computing kpt #: 411 total cpu time spent up to now is 32.4 secs Computing kpt #: 412 total cpu time spent up to now is 32.4 secs Computing kpt #: 413 total cpu time spent up to now is 32.5 secs Computing kpt #: 414 total cpu time spent up to now is 32.5 secs Computing kpt #: 415 total cpu time spent up to now is 32.6 secs Computing kpt #: 416 total cpu time spent up to now is 32.6 secs Computing kpt #: 417 total cpu time spent up to now is 32.7 secs Computing kpt #: 418 total cpu time spent up to now is 33.0 secs Computing kpt #: 419 total cpu time spent up to now is 33.1 secs Computing kpt #: 420 total cpu time spent up to now is 33.1 secs Computing kpt #: 421 total cpu time spent up to now is 33.2 secs Computing kpt #: 422 total cpu time spent up to now is 33.2 secs Computing kpt #: 423 total cpu time spent up to now is 33.3 secs Computing kpt #: 424 total cpu time spent up to now is 33.4 secs Computing kpt #: 425 total cpu time spent up to now is 33.4 secs Computing kpt #: 426 total cpu time spent up to now is 33.5 secs Computing kpt #: 427 total cpu time spent up to now is 33.5 secs Computing kpt #: 428 total cpu time spent up to now is 33.6 secs Computing kpt #: 429 total cpu time spent up to now is 33.7 secs Computing kpt #: 430 total cpu time spent up to now is 33.7 secs Computing kpt #: 431 total cpu time spent up to now is 33.8 secs Computing kpt #: 432 total cpu time spent up to now is 33.8 secs Computing kpt #: 433 total cpu time spent up to now is 33.9 secs Computing kpt #: 434 total cpu time spent up to now is 34.0 secs Computing kpt #: 435 total cpu time spent up to now is 34.0 secs Computing kpt #: 436 total cpu time spent up to now is 34.1 secs Computing kpt #: 437 total cpu time spent up to now is 34.1 secs Computing kpt #: 438 total cpu time spent up to now is 34.2 secs Computing kpt #: 439 total cpu time spent up to now is 34.3 secs Computing kpt #: 440 total cpu time spent up to now is 34.3 secs Computing kpt #: 441 total cpu time spent up to now is 34.4 secs Computing kpt #: 442 total cpu time spent up to now is 34.5 secs Computing kpt #: 443 total cpu time spent up to now is 34.6 secs Computing kpt #: 444 total cpu time spent up to now is 34.6 secs Computing kpt #: 445 total cpu time spent up to now is 34.7 secs Computing kpt #: 446 total cpu time spent up to now is 34.8 secs Computing kpt #: 447 total cpu time spent up to now is 34.9 secs Computing kpt #: 448 total cpu time spent up to now is 34.9 secs Computing kpt #: 449 total cpu time spent up to now is 35.0 secs Computing kpt #: 450 total cpu time spent up to now is 35.1 secs Computing kpt #: 451 total cpu time spent up to now is 35.1 secs Computing kpt #: 452 total cpu time spent up to now is 35.2 secs Computing kpt #: 453 total cpu time spent up to now is 35.3 secs Computing kpt #: 454 total cpu time spent up to now is 35.3 secs Computing kpt #: 455 total cpu time spent up to now is 35.4 secs Computing kpt #: 456 total cpu time spent up to now is 35.5 secs Computing kpt #: 457 total cpu time spent up to now is 35.6 secs Computing kpt #: 458 total cpu time spent up to now is 35.6 secs Computing kpt #: 459 total cpu time spent up to now is 35.7 secs Computing kpt #: 460 total cpu time spent up to now is 35.8 secs Computing kpt #: 461 total cpu time spent up to now is 35.9 secs Computing kpt #: 462 total cpu time spent up to now is 35.9 secs Computing kpt #: 463 total cpu time spent up to now is 36.0 secs Computing kpt #: 464 total cpu time spent up to now is 36.1 secs Computing kpt #: 465 total cpu time spent up to now is 36.1 secs Computing kpt #: 466 total cpu time spent up to now is 36.2 secs Computing kpt #: 467 total cpu time spent up to now is 36.3 secs Computing kpt #: 468 total cpu time spent up to now is 36.3 secs Computing kpt #: 469 total cpu time spent up to now is 36.4 secs Computing kpt #: 470 total cpu time spent up to now is 36.5 secs Computing kpt #: 471 total cpu time spent up to now is 36.5 secs Computing kpt #: 472 total cpu time spent up to now is 36.6 secs Computing kpt #: 473 total cpu time spent up to now is 36.7 secs Computing kpt #: 474 total cpu time spent up to now is 36.7 secs Computing kpt #: 475 total cpu time spent up to now is 36.8 secs Computing kpt #: 476 total cpu time spent up to now is 36.9 secs Computing kpt #: 477 total cpu time spent up to now is 36.9 secs Computing kpt #: 478 total cpu time spent up to now is 37.0 secs Computing kpt #: 479 total cpu time spent up to now is 37.1 secs Computing kpt #: 480 total cpu time spent up to now is 37.2 secs Computing kpt #: 481 total cpu time spent up to now is 37.2 secs Computing kpt #: 482 total cpu time spent up to now is 37.3 secs Computing kpt #: 483 total cpu time spent up to now is 37.4 secs Computing kpt #: 484 total cpu time spent up to now is 37.4 secs Computing kpt #: 485 total cpu time spent up to now is 37.5 secs Computing kpt #: 486 total cpu time spent up to now is 37.5 secs Computing kpt #: 487 total cpu time spent up to now is 37.6 secs Computing kpt #: 488 total cpu time spent up to now is 37.7 secs Computing kpt #: 489 total cpu time spent up to now is 37.7 secs Computing kpt #: 490 total cpu time spent up to now is 37.8 secs Computing kpt #: 491 total cpu time spent up to now is 37.8 secs Computing kpt #: 492 total cpu time spent up to now is 37.9 secs Computing kpt #: 493 total cpu time spent up to now is 38.0 secs Computing kpt #: 494 total cpu time spent up to now is 38.0 secs Computing kpt #: 495 total cpu time spent up to now is 38.1 secs Computing kpt #: 496 total cpu time spent up to now is 38.1 secs Computing kpt #: 497 total cpu time spent up to now is 38.2 secs Computing kpt #: 498 total cpu time spent up to now is 38.2 secs Computing kpt #: 499 total cpu time spent up to now is 38.3 secs Computing kpt #: 500 total cpu time spent up to now is 38.3 secs Computing kpt #: 501 total cpu time spent up to now is 38.4 secs Computing kpt #: 502 total cpu time spent up to now is 38.5 secs Computing kpt #: 503 total cpu time spent up to now is 38.5 secs Computing kpt #: 504 total cpu time spent up to now is 38.6 secs Computing kpt #: 505 total cpu time spent up to now is 38.6 secs Computing kpt #: 506 total cpu time spent up to now is 38.7 secs Computing kpt #: 507 total cpu time spent up to now is 38.7 secs Computing kpt #: 508 total cpu time spent up to now is 38.8 secs Computing kpt #: 509 total cpu time spent up to now is 38.8 secs Computing kpt #: 510 total cpu time spent up to now is 38.9 secs Computing kpt #: 511 total cpu time spent up to now is 38.9 secs Computing kpt #: 512 total cpu time spent up to now is 39.0 secs Computing kpt #: 513 total cpu time spent up to now is 39.1 secs Computing kpt #: 514 total cpu time spent up to now is 39.1 secs Computing kpt #: 515 total cpu time spent up to now is 39.2 secs Computing kpt #: 516 total cpu time spent up to now is 39.2 secs Computing kpt #: 517 total cpu time spent up to now is 39.3 secs Computing kpt #: 518 total cpu time spent up to now is 39.3 secs Computing kpt #: 519 total cpu time spent up to now is 39.4 secs Computing kpt #: 520 total cpu time spent up to now is 39.4 secs Computing kpt #: 521 total cpu time spent up to now is 39.5 secs Computing kpt #: 522 total cpu time spent up to now is 39.5 secs Computing kpt #: 523 total cpu time spent up to now is 39.6 secs Computing kpt #: 524 total cpu time spent up to now is 39.6 secs Computing kpt #: 525 total cpu time spent up to now is 39.7 secs Computing kpt #: 526 total cpu time spent up to now is 39.8 secs Computing kpt #: 527 total cpu time spent up to now is 39.8 secs Computing kpt #: 528 total cpu time spent up to now is 39.9 secs Computing kpt #: 529 total cpu time spent up to now is 39.9 secs Computing kpt #: 530 total cpu time spent up to now is 40.0 secs Computing kpt #: 531 total cpu time spent up to now is 40.0 secs Computing kpt #: 532 total cpu time spent up to now is 40.1 secs ethr = 1.00E-07, avg # of iterations = 16.5 total cpu time spent up to now is 40.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 459 PWs) bands (ev): 7.5966 7.5966 13.6047 13.6047 13.6047 13.6047 14.5848 14.5848 16.4160 16.4160 16.4160 16.4160 33.4043 33.4043 37.6295 37.6295 38.5294 38.5294 k = 0.0062-0.0036 0.0050 ( 459 PWs) bands (ev): 7.5986 7.5986 13.6043 13.6043 13.6056 13.6056 14.5851 14.5851 16.4147 16.4147 16.4165 16.4165 33.4075 33.4075 37.6269 37.6269 38.5223 38.5223 k = 0.0123-0.0071 0.0101 ( 459 PWs) bands (ev): 7.6048 7.6048 13.6029 13.6029 13.6082 13.6082 14.5859 14.5859 16.4105 16.4105 16.4179 16.4179 33.4170 33.4170 37.6188 37.6188 38.5014 38.5015 k = 0.0185-0.0107 0.0151 ( 459 PWs) bands (ev): 7.6150 7.6150 13.6005 13.6005 13.6126 13.6126 14.5873 14.5873 16.4036 16.4036 16.4203 16.4203 33.4329 33.4329 37.6050 37.6050 38.4682 38.4682 k = 0.0247-0.0143 0.0202 ( 459 PWs) bands (ev): 7.6293 7.6293 13.5972 13.5972 13.6187 13.6187 14.5894 14.5894 16.3940 16.3940 16.4236 16.4236 33.4551 33.4551 37.5850 37.5850 38.4246 38.4246 k = 0.0309-0.0178 0.0252 ( 459 PWs) bands (ev): 7.6477 7.6477 13.5927 13.5927 13.6265 13.6265 14.5922 14.5922 16.3817 16.3817 16.4278 16.4278 33.4836 33.4836 37.5584 37.5584 38.3732 38.3732 k = 0.0370-0.0214 0.0302 ( 459 PWs) bands (ev): 7.6702 7.6702 13.5869 13.5869 13.6360 13.6360 14.5960 14.5960 16.3667 16.3667 16.4330 16.4330 33.5182 33.5182 37.5244 37.5244 38.3165 38.3165 k = 0.0432-0.0249 0.0353 ( 451 PWs) bands (ev): 7.6967 7.6967 13.5799 13.5799 13.6472 13.6472 14.6008 14.6008 16.3493 16.3493 16.4392 16.4392 33.5591 33.5591 37.4827 37.4827 38.2571 38.2571 k = 0.0494-0.0285 0.0403 ( 451 PWs) bands (ev): 7.7272 7.7272 13.5713 13.5713 13.6601 13.6601 14.6069 14.6069 16.3293 16.3293 16.4464 16.4464 33.6060 33.6060 37.4329 37.4329 38.1969 38.1969 k = 0.0556-0.0321 0.0454 ( 451 PWs) bands (ev): 7.7616 7.7616 13.5611 13.5611 13.6746 13.6746 14.6143 14.6143 16.3070 16.3070 16.4545 16.4545 33.6589 33.6589 37.3751 37.3751 38.1374 38.1374 k = 0.0617-0.0356 0.0504 ( 443 PWs) bands (ev): 7.8001 7.8001 13.5491 13.5491 13.6907 13.6907 14.6234 14.6234 16.2824 16.2824 16.4637 16.4637 33.7176 33.7176 37.3099 37.3099 38.0791 38.0791 k = 0.0679-0.0392 0.0554 ( 443 PWs) bands (ev): 7.8424 7.8424 13.5352 13.5352 13.7083 13.7083 14.6342 14.6342 16.2556 16.2556 16.4738 16.4738 33.7822 33.7822 37.2384 37.2384 38.0221 38.0221 k = 0.0741-0.0428 0.0605 ( 451 PWs) bands (ev): 7.8886 7.8886 13.5193 13.5193 13.7275 13.7275 14.6470 14.6470 16.2269 16.2269 16.4849 16.4849 33.8524 33.8524 37.1619 37.1619 37.9656 37.9656 k = 0.0802-0.0463 0.0655 ( 451 PWs) bands (ev): 7.9386 7.9386 13.5012 13.5012 13.7481 13.7481 14.6619 14.6619 16.1963 16.1963 16.4971 16.4971 33.9281 33.9281 37.0818 37.0818 37.9088 37.9088 k = 0.0864-0.0499 0.0706 ( 451 PWs) bands (ev): 7.9924 7.9924 13.4809 13.4809 13.7701 13.7701 14.6790 14.6790 16.1640 16.1640 16.5102 16.5102 34.0093 34.0093 36.9995 36.9995 37.8505 37.8505 k = 0.0926-0.0535 0.0756 ( 451 PWs) bands (ev): 8.0499 8.0499 13.4584 13.4584 13.7934 13.7934 14.6984 14.6984 16.1302 16.1302 16.5244 16.5244 34.0956 34.0956 36.9163 36.9163 37.7896 37.7896 k = 0.0988-0.0570 0.0806 ( 451 PWs) bands (ev): 8.1111 8.1111 13.4337 13.4337 13.8179 13.8179 14.7203 14.7203 16.0952 16.0952 16.5396 16.5396 34.1871 34.1871 36.8333 36.8333 37.7250 37.7250 k = 0.1049-0.0606 0.0857 ( 459 PWs) bands (ev): 8.1758 8.1758 13.4066 13.4066 13.8435 13.8435 14.7446 14.7446 16.0591 16.0591 16.5558 16.5558 34.2834 34.2834 36.7515 36.7515 37.6555 37.6555 k = 0.1111-0.0642 0.0907 ( 459 PWs) bands (ev): 8.2440 8.2440 13.3774 13.3774 13.8702 13.8702 14.7715 14.7715 16.0223 16.0223 16.5731 16.5731 34.3846 34.3846 36.6717 36.6717 37.5804 37.5804 k = 0.1173-0.0677 0.0958 ( 451 PWs) bands (ev): 8.3156 8.3156 13.3459 13.3459 13.8977 13.8977 14.8009 14.8009 15.9850 15.9850 16.5913 16.5913 34.4904 34.4904 36.5944 36.5944 37.4988 37.4988 k = 0.1235-0.0713 0.1008 ( 451 PWs) bands (ev): 8.3905 8.3905 13.3124 13.3124 13.9260 13.9260 14.8328 14.8328 15.9475 15.9475 16.6106 16.6106 34.6005 34.6005 36.5203 36.5203 37.4101 37.4101 k = 0.1296-0.0748 0.1058 ( 451 PWs) bands (ev): 8.4686 8.4686 13.2768 13.2768 13.9549 13.9549 14.8673 14.8673 15.9102 15.9102 16.6309 16.6309 34.7148 34.7148 36.4495 36.4495 37.3137 37.3137 k = 0.1358-0.0784 0.1109 ( 451 PWs) bands (ev): 8.5498 8.5498 13.2393 13.2393 13.9841 13.9841 14.9043 14.9043 15.8735 15.8735 16.6521 16.6521 34.8332 34.8332 36.3825 36.3825 37.2092 37.2092 k = 0.1420-0.0820 0.1159 ( 451 PWs) bands (ev): 8.6339 8.6339 13.2001 13.2001 14.0136 14.0136 14.9437 14.9437 15.8378 15.8378 16.6743 16.6743 34.9554 34.9554 36.3195 36.3195 37.0964 37.0964 k = 0.1481-0.0855 0.1210 ( 451 PWs) bands (ev): 8.7208 8.7208 13.1591 13.1591 14.0429 14.0429 14.9855 14.9855 15.8036 15.8036 16.6975 16.6975 35.0811 35.0811 36.2605 36.2605 36.9751 36.9751 k = 0.1543-0.0891 0.1260 ( 451 PWs) bands (ev): 8.8103 8.8103 13.1166 13.1166 14.0720 14.0720 15.0296 15.0296 15.7714 15.7714 16.7217 16.7217 35.2103 35.2103 36.2055 36.2055 36.8456 36.8456 k = 0.1605-0.0927 0.1310 ( 451 PWs) bands (ev): 8.9023 8.9023 13.0727 13.0727 14.1004 14.1004 15.0760 15.0760 15.7416 15.7416 16.7468 16.7468 35.3425 35.3425 36.1545 36.1545 36.7081 36.7081 k = 0.1667-0.0962 0.1361 ( 451 PWs) bands (ev): 8.9965 8.9965 13.0275 13.0275 14.1280 14.1280 15.1246 15.1246 15.7149 15.7149 16.7728 16.7728 35.4777 35.4777 36.1070 36.1070 36.5631 36.5631 k = 0.1728-0.0998 0.1411 ( 451 PWs) bands (ev): 9.0928 9.0928 12.9811 12.9811 14.1543 14.1543 15.1754 15.1754 15.6918 15.6918 16.7997 16.7997 35.6156 35.6156 36.0620 36.0620 36.4119 36.4119 k = 0.1790-0.1034 0.1462 ( 451 PWs) bands (ev): 9.1908 9.1908 12.9337 12.9337 14.1793 14.1793 15.2282 15.2282 15.6729 15.6729 16.8275 16.8275 35.7558 35.7558 36.0165 36.0165 36.2580 36.2581 k = 0.1852-0.1069 0.1512 ( 463 PWs) bands (ev): 9.2903 9.2903 12.8853 12.8853 14.2026 14.2026 15.2830 15.2830 15.6589 15.6589 16.8562 16.8562 35.8978 35.8978 35.9573 35.9573 36.1147 36.1147 k = 0.1914-0.1105 0.1562 ( 463 PWs) bands (ev): 9.3911 9.3911 12.8362 12.8362 14.2240 14.2240 15.3397 15.3397 15.6501 15.6501 16.8857 16.8857 35.8453 35.8453 36.0217 36.0217 36.0417 36.0417 k = 0.1975-0.1140 0.1613 ( 463 PWs) bands (ev): 9.4927 9.4927 12.7864 12.7864 14.2436 14.2436 15.3983 15.3983 15.6471 15.6471 16.9161 16.9161 35.6829 35.6829 35.9769 35.9769 36.1864 36.1864 k = 0.2037-0.1176 0.1663 ( 459 PWs) bands (ev): 9.5949 9.5949 12.7361 12.7361 14.2614 14.2614 15.4585 15.4585 15.6502 15.6502 16.9473 16.9473 35.5020 35.5020 35.9487 35.9487 36.3310 36.3310 k = 0.2099-0.1212 0.1714 ( 455 PWs) bands (ev): 9.6971 9.6971 12.6853 12.6853 14.2776 14.2776 15.5205 15.5205 15.6597 15.6597 16.9793 16.9793 35.3122 35.3122 35.9277 35.9277 36.4719 36.4719 k = 0.2160-0.1247 0.1764 ( 455 PWs) bands (ev): 9.7990 9.7990 12.6342 12.6342 14.2926 14.2926 15.5839 15.5839 15.6756 15.6756 17.0121 17.0121 35.1164 35.1164 35.9109 35.9109 36.5945 36.5945 k = 0.2222-0.1283 0.1814 ( 455 PWs) bands (ev): 9.9000 9.9000 12.5828 12.5828 14.3070 14.3070 15.6489 15.6489 15.6979 15.6979 17.0457 17.0457 34.9158 34.9158 35.8971 35.8971 36.6133 36.6133 k = 0.2284-0.1319 0.1865 ( 456 PWs) bands (ev): 9.9997 9.9997 12.5314 12.5314 14.3216 14.3216 15.7152 15.7152 15.7264 15.7264 17.0801 17.0801 34.7114 34.7114 35.8853 35.8853 36.4851 36.4851 k = 0.2346-0.1354 0.1915 ( 456 PWs) bands (ev): 10.0974 10.0974 12.4799 12.4799 14.3371 14.3371 15.7608 15.7608 15.7827 15.7827 17.1153 17.1153 34.5037 34.5037 35.8746 35.8746 36.3172 36.3172 k = 0.2407-0.1390 0.1966 ( 456 PWs) bands (ev): 10.1925 10.1925 12.4285 12.4285 14.3546 14.3546 15.8009 15.8009 15.8513 15.8513 17.1512 17.1512 34.2933 34.2933 35.8636 35.8636 36.1375 36.1375 k = 0.2469-0.1426 0.2016 ( 456 PWs) bands (ev): 10.2845 10.2845 12.3772 12.3772 14.3750 14.3750 15.8463 15.8463 15.9209 15.9209 17.1879 17.1879 34.0808 34.0808 35.8507 35.8507 35.9515 35.9515 k = 0.2531-0.1461 0.2066 ( 456 PWs) bands (ev): 10.3727 10.3727 12.3262 12.3262 14.3993 14.3993 15.8965 15.8965 15.9914 15.9914 17.2255 17.2255 33.8666 33.8666 35.7612 35.7612 35.8336 35.8336 k = 0.2593-0.1497 0.2117 ( 456 PWs) bands (ev): 10.4564 10.4564 12.2755 12.2755 14.4285 14.4285 15.9512 15.9512 16.0626 16.0626 17.2638 17.2638 33.6510 33.6510 35.5675 35.5675 35.8092 35.8092 k = 0.2654-0.1532 0.2167 ( 456 PWs) bands (ev): 10.5351 10.5351 12.2253 12.2253 14.4637 14.4637 16.0101 16.0101 16.1344 16.1344 17.3030 17.3030 33.4345 33.4345 35.3715 35.3715 35.7731 35.7731 k = 0.2716-0.1568 0.2218 ( 456 PWs) bands (ev): 10.6081 10.6081 12.1755 12.1755 14.5057 14.5057 16.0727 16.0727 16.2065 16.2065 17.3430 17.3430 33.2173 33.2173 35.1737 35.1737 35.7194 35.7194 k = 0.2778-0.1604 0.2268 ( 456 PWs) bands (ev): 10.6750 10.6750 12.1263 12.1263 14.5552 14.5552 16.1387 16.1387 16.2788 16.2788 17.3840 17.3840 33.0000 33.0000 34.9747 34.9747 35.6408 35.6408 k = 0.2840-0.1639 0.2318 ( 448 PWs) bands (ev): 10.7354 10.7354 12.0777 12.0777 14.6129 14.6129 16.2078 16.2078 16.3511 16.3511 17.4259 17.4259 32.7828 32.7828 34.7751 34.7751 35.5297 35.5297 k = 0.2901-0.1675 0.2369 ( 444 PWs) bands (ev): 10.7890 10.7890 12.0299 12.0299 14.6792 14.6792 16.2798 16.2798 16.4232 16.4232 17.4688 17.4688 32.5658 32.5658 34.5753 34.5753 35.3804 35.3804 k = 0.2963-0.1711 0.2419 ( 444 PWs) bands (ev): 10.8356 10.8356 11.9828 11.9828 14.7545 14.7545 16.3544 16.3544 16.4949 16.4949 17.5127 17.5127 32.3493 32.3493 34.3756 34.3756 35.1921 35.1921 k = 0.3025-0.1746 0.2470 ( 444 PWs) bands (ev): 10.8753 10.8753 11.9365 11.9365 14.8389 14.8389 16.4313 16.4313 16.5659 16.5659 17.5578 17.5578 32.1336 32.1336 34.1767 34.1767 34.9691 34.9691 k = 0.3086-0.1782 0.2520 ( 444 PWs) bands (ev): 10.9080 10.9080 11.8911 11.8911 14.9322 14.9322 16.5105 16.5105 16.6359 16.6359 17.6041 17.6041 31.9188 31.9188 33.9788 33.9788 34.7189 34.7189 k = 0.3148-0.1818 0.2570 ( 444 PWs) bands (ev): 10.9342 10.9342 11.8466 11.8466 15.0343 15.0343 16.5917 16.5917 16.7048 16.7048 17.6517 17.6517 31.7053 31.7053 33.7824 33.7824 34.4490 34.4490 k = 0.3210-0.1853 0.2621 ( 444 PWs) bands (ev): 10.9541 10.9541 11.8032 11.8032 15.1448 15.1448 16.6747 16.6747 16.7723 16.7723 17.7006 17.7006 31.4932 31.4932 33.5878 33.5878 34.1661 34.1661 k = 0.3272-0.1889 0.2671 ( 444 PWs) bands (ev): 10.9681 10.9681 11.7607 11.7607 15.2630 15.2630 16.7595 16.7595 16.8380 16.8380 17.7509 17.7509 31.2825 31.2825 33.3954 33.3954 33.8750 33.8750 k = 0.3333-0.1925 0.2722 ( 444 PWs) bands (ev): 10.9768 10.9768 11.7194 11.7194 15.3885 15.3885 16.8459 16.8459 16.9019 16.9019 17.8027 17.8027 31.0735 31.0735 33.2055 33.2055 33.5796 33.5796 k = 0.3395-0.1960 0.2772 ( 444 PWs) bands (ev): 10.9807 10.9807 11.6792 11.6792 15.5205 15.5205 16.9338 16.9338 16.9636 16.9636 17.8559 17.8559 30.8662 30.8662 33.0184 33.0184 33.2824 33.2824 k = 0.3457-0.1996 0.2822 ( 444 PWs) bands (ev): 10.9803 10.9803 11.6402 11.6402 15.6582 15.6582 17.0229 17.0229 17.0233 17.0233 17.9105 17.9105 30.6607 30.6607 32.8346 32.8346 32.9857 32.9857 k = 0.3519-0.2031 0.2873 ( 444 PWs) bands (ev): 10.9761 10.9761 11.6025 11.6025 15.8006 15.8006 17.0798 17.0798 17.1143 17.1143 17.9664 17.9664 30.4570 30.4570 32.6543 32.6543 32.6911 32.6911 k = 0.3580-0.2067 0.2923 ( 444 PWs) bands (ev): 10.9687 10.9687 11.5659 11.5659 15.9468 15.9468 17.1340 17.1340 17.2069 17.2069 18.0236 18.0236 30.2552 30.2552 32.4001 32.4001 32.4778 32.4778 k = 0.3642-0.2103 0.2974 ( 448 PWs) bands (ev): 10.9586 10.9586 11.5307 11.5307 16.0958 16.0958 17.1855 17.1855 17.3011 17.3011 18.0818 18.0818 30.0550 30.0550 32.1136 32.1136 32.3054 32.3054 k = 0.3704-0.2138 0.3024 ( 448 PWs) bands (ev): 10.9462 10.9462 11.4968 11.4968 16.2465 16.2465 17.2342 17.2342 17.3972 17.3972 18.1408 18.1408 29.8567 29.8567 31.8334 31.8334 32.1375 32.1375 k = 0.3765-0.2174 0.3074 ( 448 PWs) bands (ev): 10.9321 10.9321 11.4643 11.4643 16.3975 16.3975 17.2802 17.2802 17.4954 17.4954 18.2005 18.2005 29.6601 29.6601 31.5602 31.5602 31.9745 31.9745 k = 0.3827-0.2210 0.3125 ( 452 PWs) bands (ev): 10.9166 10.9166 11.4332 11.4332 16.5477 16.5477 17.3234 17.3234 17.5961 17.5961 18.2605 18.2605 29.4649 29.4649 31.2951 31.2951 31.8165 31.8165 k = 0.3889-0.2245 0.3175 ( 452 PWs) bands (ev): 10.9000 10.9000 11.4035 11.4035 16.6954 16.6954 17.3639 17.3639 17.6995 17.6995 18.3204 18.3204 29.2714 29.2714 31.0393 31.0393 31.6639 31.6639 k = 0.3951-0.2281 0.3226 ( 452 PWs) bands (ev): 10.8827 10.8827 11.3753 11.3753 16.8393 16.8393 17.4017 17.4017 17.8063 17.8063 18.3800 18.3800 29.0792 29.0792 30.7939 30.7939 31.5172 31.5172 k = 0.4012-0.2317 0.3276 ( 452 PWs) bands (ev): 10.8651 10.8651 11.3485 11.3485 16.9778 16.9778 17.4370 17.4370 17.9167 17.9167 18.4388 18.4388 28.8886 28.8886 30.5598 30.5598 31.3765 31.3765 k = 0.4074-0.2352 0.3326 ( 452 PWs) bands (ev): 10.8474 10.8474 11.3233 11.3233 17.1094 17.1094 17.4697 17.4697 18.0310 18.0310 18.4965 18.4965 28.6996 28.6996 30.3381 30.3381 31.2422 31.2422 k = 0.4136-0.2388 0.3377 ( 452 PWs) bands (ev): 10.8298 10.8298 11.2996 11.2996 17.2330 17.2330 17.5000 17.5000 18.1492 18.1492 18.5527 18.5527 28.5126 28.5126 30.1295 30.1295 31.1146 31.1146 k = 0.4198-0.2423 0.3427 ( 452 PWs) bands (ev): 10.8126 10.8126 11.2774 11.2774 17.3476 17.3476 17.5279 17.5279 18.2708 18.2708 18.6070 18.6070 28.3281 28.3281 29.9347 29.9347 30.9941 30.9941 k = 0.4259-0.2459 0.3478 ( 452 PWs) bands (ev): 10.7960 10.7960 11.2568 11.2568 17.4527 17.4527 17.5535 17.5535 18.3951 18.3951 18.6591 18.6591 28.1471 28.1471 29.7543 29.7543 30.8809 30.8809 k = 0.4321-0.2495 0.3528 ( 452 PWs) bands (ev): 10.7801 10.7801 11.2378 11.2378 17.5481 17.5481 17.5768 17.5768 18.5205 18.5205 18.7086 18.7086 27.9706 27.9706 29.5886 29.5886 30.7755 30.7755 k = 0.4383-0.2530 0.3578 ( 452 PWs) bands (ev): 10.7652 10.7652 11.2203 11.2203 17.5980 17.5980 17.6340 17.6340 18.6454 18.6454 18.7551 18.7551 27.8000 27.8000 29.4378 29.4378 30.6780 30.6780 k = 0.4444-0.2566 0.3629 ( 452 PWs) bands (ev): 10.7512 10.7512 11.2045 11.2045 17.6171 17.6171 17.7106 17.7106 18.7678 18.7678 18.7983 18.7983 27.6369 27.6369 29.3019 29.3019 30.5887 30.5887 k = 0.4506-0.2602 0.3679 ( 452 PWs) bands (ev): 10.7385 10.7385 11.1904 11.1904 17.6340 17.6340 17.7782 17.7782 18.8379 18.8379 18.8856 18.8856 27.4832 27.4832 29.1808 29.1808 30.5080 30.5080 k = 0.4568-0.2637 0.3730 ( 452 PWs) bands (ev): 10.7270 10.7270 11.1778 11.1778 17.6489 17.6489 17.8373 17.8373 18.8736 18.8736 18.9964 18.9964 27.3409 27.3409 29.0745 29.0745 30.4361 30.4361 k = 0.4630-0.2673 0.3780 ( 452 PWs) bands (ev): 10.7168 10.7168 11.1669 11.1669 17.6617 17.6617 17.8881 17.8881 18.9051 18.9051 19.0982 19.0982 27.2120 27.2120 28.9827 28.9827 30.3733 30.3733 k = 0.4691-0.2709 0.3830 ( 452 PWs) bands (ev): 10.7081 10.7081 11.1577 11.1577 17.6726 17.6726 17.9308 17.9308 18.9322 18.9322 19.1887 19.1887 27.0985 27.0985 28.9053 28.9053 30.3198 30.3198 k = 0.4753-0.2744 0.3881 ( 452 PWs) bands (ev): 10.7009 10.7009 11.1502 11.1502 17.6814 17.6814 17.9655 17.9655 18.9547 18.9547 19.2660 19.2660 27.0025 27.0025 28.8421 28.8421 30.2757 30.2757 k = 0.4815-0.2780 0.3931 ( 452 PWs) bands (ev): 10.6952 10.6952 11.1443 11.1443 17.6883 17.6883 17.9925 17.9925 18.9723 18.9723 19.3282 19.3282 26.9257 26.9257 28.7932 28.7932 30.2412 30.2412 k = 0.4877-0.2815 0.3982 ( 452 PWs) bands (ev): 10.6912 10.6912 11.1401 11.1401 17.6932 17.6932 18.0117 18.0117 18.9851 18.9851 19.3739 19.3739 26.8696 26.8696 28.7582 28.7582 30.2165 30.2165 k = 0.4938-0.2851 0.4032 ( 452 PWs) bands (ev): 10.6887 10.6887 11.1375 11.1375 17.6961 17.6961 18.0232 18.0232 18.9927 18.9927 19.4017 19.4017 26.8355 26.8355 28.7373 28.7373 30.2016 30.2016 k = 0.5000-0.2887 0.4082 ( 444 PWs) bands (ev): 10.6879 10.6879 11.1367 11.1367 17.6971 17.6971 18.0271 18.0271 18.9953 18.9953 19.4111 19.4111 26.8242 26.8242 28.7303 28.7303 30.1967 30.1967 k = 0.5000-0.2887 0.4082 ( 444 PWs) bands (ev): 10.6879 10.6879 11.1367 11.1367 17.6971 17.6971 18.0271 18.0271 18.9953 18.9953 19.4111 19.4111 26.8242 26.8242 28.7303 28.7303 30.1967 30.1967 k = 0.5000-0.2816 0.4132 ( 452 PWs) bands (ev): 10.6894 10.6894 11.1379 11.1379 17.6933 17.6933 18.0171 18.0171 18.9717 18.9717 19.4471 19.4471 26.8193 26.8193 28.7316 28.7316 30.1960 30.1960 k = 0.5000-0.2746 0.4182 ( 452 PWs) bands (ev): 10.6938 10.6938 11.1417 11.1417 17.6812 17.6812 17.9884 17.9884 18.9190 18.9190 19.5368 19.5368 26.8053 26.8053 28.7353 28.7353 30.1941 30.1941 k = 0.5000-0.2676 0.4232 ( 452 PWs) bands (ev): 10.7012 10.7012 11.1479 11.1479 17.6589 17.6589 17.9443 17.9443 18.8606 18.8606 19.6552 19.6552 26.7824 26.7824 28.7410 28.7410 30.1909 30.1909 k = 0.5000-0.2605 0.4282 ( 452 PWs) bands (ev): 10.7115 10.7115 11.1566 11.1566 17.6225 17.6225 17.8909 17.8909 18.8073 18.8073 19.7895 19.7895 26.7513 26.7513 28.7482 28.7482 30.1865 30.1865 k = 0.5000-0.2535 0.4331 ( 452 PWs) bands (ev): 10.7247 10.7247 11.1678 11.1678 17.5668 17.5668 17.8366 17.8366 18.7618 18.7618 19.9337 19.9337 26.7126 26.7126 28.7562 28.7562 30.1809 30.1809 k = 0.5000-0.2464 0.4381 ( 452 PWs) bands (ev): 10.7408 10.7408 11.1814 11.1814 17.4888 17.4888 17.7877 17.7877 18.7239 18.7239 20.0846 20.0846 26.6674 26.6674 28.7641 28.7641 30.1744 30.1744 k = 0.5000-0.2394 0.4431 ( 454 PWs) bands (ev): 10.7598 10.7598 11.1975 11.1975 17.3909 17.3909 17.7452 17.7452 18.6922 18.6922 20.2404 20.2404 26.6164 26.6164 28.7712 28.7712 30.1670 30.1670 k = 0.5000-0.2323 0.4481 ( 454 PWs) bands (ev): 10.7816 10.7816 11.2161 11.2161 17.2782 17.2782 17.7066 17.7066 18.6653 18.6653 20.4000 20.4000 26.5606 26.5606 28.7766 28.7766 30.1589 30.1589 k = 0.5000-0.2253 0.4531 ( 454 PWs) bands (ev): 10.8061 10.8061 11.2372 11.2372 17.1557 17.1557 17.6689 17.6689 18.6420 18.6420 20.5626 20.5626 26.5010 26.5010 28.7796 28.7796 30.1502 30.1502 k = 0.5000-0.2183 0.4580 ( 454 PWs) bands (ev): 10.8333 10.8333 11.2608 11.2608 17.0267 17.0267 17.6304 17.6304 18.6215 18.6215 20.7275 20.7275 26.4385 26.4385 28.7793 28.7793 30.1411 30.1411 k = 0.5000-0.2112 0.4630 ( 454 PWs) bands (ev): 10.8631 10.8631 11.2867 11.2867 16.8935 16.8935 17.5899 17.5899 18.6032 18.6032 20.8943 20.8943 26.3737 26.3737 28.7752 28.7752 30.1318 30.1318 k = 0.5000-0.2042 0.4680 ( 454 PWs) bands (ev): 10.8955 10.8955 11.3152 11.3152 16.7577 16.7577 17.5468 17.5468 18.5866 18.5866 21.0626 21.0626 26.3075 26.3075 28.7667 28.7667 30.1224 30.1224 k = 0.5000-0.1971 0.4730 ( 454 PWs) bands (ev): 10.9304 10.9304 11.3461 11.3461 16.6203 16.6203 17.5007 17.5007 18.5715 18.5715 21.2321 21.2321 26.2405 26.2405 28.7533 28.7533 30.1131 30.1131 k = 0.5000-0.1901 0.4779 ( 454 PWs) bands (ev): 10.9677 10.9677 11.3794 11.3794 16.4820 16.4820 17.4514 17.4514 18.5576 18.5576 21.4027 21.4027 26.1733 26.1733 28.7346 28.7346 30.1040 30.1040 k = 0.5000-0.1831 0.4829 ( 456 PWs) bands (ev): 11.0073 11.0073 11.4151 11.4151 16.3434 16.3434 17.3989 17.3989 18.5449 18.5449 21.5740 21.5740 26.1064 26.1064 28.7104 28.7104 30.0952 30.0952 k = 0.5000-0.1760 0.4879 ( 456 PWs) bands (ev): 11.0490 11.0490 11.4533 11.4533 16.2049 16.2049 17.3433 17.3433 18.5332 18.5332 21.7458 21.7458 26.0403 26.0403 28.6804 28.6804 30.0869 30.0869 k = 0.5000-0.1690 0.4929 ( 456 PWs) bands (ev): 11.0927 11.0927 11.4939 11.4939 16.0669 16.0669 17.2846 17.2846 18.5225 18.5225 21.9181 21.9181 25.9754 25.9754 28.6446 28.6446 30.0790 30.0790 k = 0.5000-0.1619 0.4979 ( 452 PWs) bands (ev): 11.1384 11.1384 11.5369 11.5369 15.9295 15.9295 17.2230 17.2230 18.5127 18.5127 22.0906 22.0906 25.9120 25.9120 28.6028 28.6028 30.0716 30.0716 k = 0.5000-0.1549 0.5028 ( 452 PWs) bands (ev): 11.1858 11.1858 11.5822 11.5822 15.7930 15.7930 17.1589 17.1589 18.5037 18.5037 22.2631 22.2631 25.8504 25.8504 28.5551 28.5551 30.0648 30.0648 k = 0.5000-0.1479 0.5078 ( 452 PWs) bands (ev): 11.2347 11.2347 11.6300 11.6300 15.6575 15.6575 17.0924 17.0924 18.4955 18.4955 22.4354 22.4354 25.7910 25.7910 28.5016 28.5016 30.0584 30.0584 k = 0.5000-0.1408 0.5128 ( 452 PWs) bands (ev): 11.2851 11.2851 11.6801 11.6801 15.5232 15.5232 17.0238 17.0238 18.4880 18.4880 22.6075 22.6075 25.7338 25.7338 28.4424 28.4424 30.0525 30.0525 k = 0.5000-0.1338 0.5178 ( 452 PWs) bands (ev): 11.3365 11.3365 11.7326 11.7326 15.3902 15.3902 16.9537 16.9537 18.4812 18.4812 22.7790 22.7790 25.6791 25.6791 28.3776 28.3776 30.0471 30.0471 k = 0.5000-0.1267 0.5228 ( 452 PWs) bands (ev): 11.3889 11.3889 11.7874 11.7874 15.2586 15.2586 16.8823 16.8823 18.4750 18.4750 22.9499 22.9499 25.6270 25.6270 28.3076 28.3076 30.0420 30.0420 k = 0.5000-0.1197 0.5277 ( 448 PWs) bands (ev): 11.4420 11.4420 11.8445 11.8445 15.1285 15.1285 16.8100 16.8100 18.4694 18.4694 23.1200 23.1200 25.5778 25.5778 28.2324 28.2324 30.0373 30.0373 k = 0.5000-0.1127 0.5327 ( 448 PWs) bands (ev): 11.4954 11.4954 11.9039 11.9039 14.9999 14.9999 16.7374 16.7374 18.4644 18.4644 23.2889 23.2889 25.5313 25.5313 28.1524 28.1524 30.0330 30.0330 k = 0.5000-0.1056 0.5377 ( 448 PWs) bands (ev): 11.5489 11.5489 11.9657 11.9657 14.8730 14.8730 16.6650 16.6650 18.4598 18.4598 23.4564 23.4564 25.4879 25.4879 28.0678 28.0678 30.0289 30.0289 k = 0.5000-0.0986 0.5427 ( 444 PWs) bands (ev): 11.6021 11.6021 12.0297 12.0297 14.7477 14.7477 16.5931 16.5931 18.4557 18.4557 23.6222 23.6222 25.4474 25.4474 27.9790 27.9790 30.0251 30.0251 k = 0.5000-0.0915 0.5477 ( 444 PWs) bands (ev): 11.6547 11.6547 12.0960 12.0960 14.6242 14.6242 16.5224 16.5224 18.4520 18.4520 23.7860 23.7860 25.4102 25.4102 27.8863 27.8863 30.0215 30.0215 k = 0.5000-0.0845 0.5526 ( 450 PWs) bands (ev): 11.7061 11.7061 12.1646 12.1646 14.5025 14.5025 16.4535 16.4535 18.4486 18.4486 23.9473 23.9473 25.3761 25.3761 27.7901 27.7901 30.0182 30.0182 k = 0.5000-0.0774 0.5576 ( 450 PWs) bands (ev): 11.7561 11.7561 12.2354 12.2354 14.3827 14.3827 16.3868 16.3868 18.4457 18.4457 24.1055 24.1055 25.3454 25.3454 27.6910 27.6910 30.0151 30.0151 k = 0.5000-0.0704 0.5626 ( 454 PWs) bands (ev): 11.8041 11.8041 12.3084 12.3084 14.2649 14.2649 16.3231 16.3231 18.4431 18.4431 24.2600 24.2600 25.3183 25.3183 27.5894 27.5894 30.0123 30.0123 k = 0.5000-0.0634 0.5676 ( 454 PWs) bands (ev): 11.8497 11.8497 12.3835 12.3835 14.1491 14.1491 16.2628 16.2628 18.4408 18.4408 24.4098 24.4098 25.2950 25.2950 27.4862 27.4862 30.0096 30.0096 k = 0.5000-0.0563 0.5725 ( 454 PWs) bands (ev): 11.8923 11.8923 12.4608 12.4608 14.0354 14.0354 16.2068 16.2068 18.4387 18.4387 24.5532 24.5532 25.2763 25.2763 27.3822 27.3822 30.0073 30.0073 k = 0.5000-0.0493 0.5775 ( 454 PWs) bands (ev): 11.9315 11.9315 12.5400 12.5400 13.9240 13.9240 16.1554 16.1554 18.4370 18.4370 24.6882 24.6882 25.2632 25.2632 27.2787 27.2787 30.0052 30.0052 k = 0.5000-0.0422 0.5825 ( 454 PWs) bands (ev): 11.9667 11.9667 12.6211 12.6211 13.8149 13.8149 16.1095 16.1095 18.4355 18.4355 24.8111 24.8111 25.2578 25.2578 27.1771 27.1771 30.0033 30.0033 k = 0.5000-0.0352 0.5875 ( 454 PWs) bands (ev): 11.9975 11.9975 12.7037 12.7037 13.7087 13.7087 16.0695 16.0695 18.4343 18.4343 24.9158 24.9158 25.2639 25.2639 27.0797 27.0797 30.0017 30.0017 k = 0.5000-0.0282 0.5925 ( 454 PWs) bands (ev): 12.0234 12.0234 12.7873 12.7873 13.6056 13.6056 16.0359 16.0359 18.4333 18.4333 24.9943 24.9943 25.2866 25.2866 26.9895 26.9895 30.0004 30.0004 k = 0.5000-0.0211 0.5974 ( 450 PWs) bands (ev): 12.0441 12.0441 12.8709 12.8709 13.5069 13.5069 16.0093 16.0093 18.4326 18.4326 25.0424 25.0424 25.3261 25.3261 26.9104 26.9104 29.9995 29.9995 k = 0.5000-0.0141 0.6024 ( 446 PWs) bands (ev): 12.0590 12.0590 12.9517 12.9517 13.4154 13.4154 15.9899 15.9899 18.4320 18.4320 25.0665 25.0665 25.3710 25.3710 26.8475 26.8475 29.9988 29.9988 k = 0.5000-0.0070 0.6074 ( 444 PWs) bands (ev): 12.0681 12.0681 13.0212 13.0212 13.3394 13.3394 15.9782 15.9782 18.4317 18.4317 25.0769 25.0769 25.4053 25.4053 26.8065 26.8065 29.9984 29.9984 k = 0.5000 0.0000 0.6124 ( 444 PWs) bands (ev): 12.0712 12.0712 13.0534 13.0534 13.3050 13.3050 15.9743 15.9743 18.4316 18.4316 25.0798 25.0798 25.4180 25.4180 26.7922 26.7922 29.9982 29.9982 k = 0.5000 0.0000 0.6124 ( 444 PWs) bands (ev): 12.0712 12.0712 13.0534 13.0534 13.3050 13.3050 15.9743 15.9743 18.4316 18.4316 25.0798 25.0798 25.4180 25.4180 26.7922 26.7922 29.9982 29.9982 k = 0.4957 0.0075 0.6124 ( 444 PWs) bands (ev): 12.0702 12.0702 13.0359 13.0359 13.3230 13.3230 15.9765 15.9765 18.4302 18.4302 25.0584 25.0584 25.4269 25.4269 26.8028 26.8028 30.0033 30.0033 k = 0.4914 0.0149 0.6124 ( 447 PWs) bands (ev): 12.0672 12.0672 12.9931 12.9931 13.3677 13.3677 15.9831 15.9831 18.4259 18.4259 25.0081 25.0081 25.4398 25.4398 26.8341 26.8341 30.0187 30.0187 k = 0.4871 0.0224 0.6124 ( 450 PWs) bands (ev): 12.0620 12.0620 12.9387 12.9387 13.4258 13.4258 15.9937 15.9937 18.4187 18.4187 24.9439 24.9439 25.4433 25.4433 26.8840 26.8840 30.0451 30.0451 k = 0.4828 0.0299 0.6124 ( 450 PWs) bands (ev): 12.0545 12.0545 12.8799 12.8799 13.4904 13.4904 16.0081 16.0081 18.4087 18.4087 24.8733 24.8733 25.4333 25.4333 26.9487 26.9487 30.0828 30.0828 k = 0.4784 0.0373 0.6124 ( 450 PWs) bands (ev): 12.0445 12.0445 12.8202 12.8202 13.5585 13.5585 16.0259 16.0259 18.3959 18.3959 24.7996 24.7996 25.4107 25.4107 27.0234 27.0234 30.1322 30.1322 k = 0.4741 0.0448 0.6124 ( 450 PWs) bands (ev): 12.0319 12.0319 12.7615 12.7615 13.6289 13.6289 16.0468 16.0468 18.3805 18.3805 24.7245 24.7245 25.3779 25.3779 27.1038 27.1038 30.1935 30.1935 k = 0.4698 0.0523 0.6124 ( 452 PWs) bands (ev): 12.0165 12.0165 12.7048 12.7048 13.7006 13.7006 16.0703 16.0703 18.3625 18.3625 24.6490 24.6490 25.3375 25.3375 27.1860 27.1860 30.2666 30.2666 k = 0.4655 0.0597 0.6124 ( 452 PWs) bands (ev): 11.9981 11.9981 12.6512 12.6512 13.7733 13.7733 16.0962 16.0962 18.3420 18.3420 24.5740 24.5740 25.2917 25.2917 27.2674 27.2674 30.3515 30.3515 k = 0.4612 0.0672 0.6124 ( 452 PWs) bands (ev): 11.9766 11.9766 12.6012 12.6012 13.8465 13.8465 16.1241 16.1241 18.3193 18.3193 24.4997 24.4997 25.2424 25.2424 27.3457 27.3457 30.4478 30.4478 k = 0.4569 0.0747 0.6124 ( 452 PWs) bands (ev): 11.9521 11.9521 12.5554 12.5554 13.9200 13.9200 16.1534 16.1534 18.2944 18.2944 24.4266 24.4266 25.1910 25.1910 27.4196 27.4196 30.5549 30.5549 k = 0.4526 0.0821 0.6124 ( 447 PWs) bands (ev): 11.9247 11.9247 12.5140 12.5140 13.9933 13.9933 16.1839 16.1839 18.2677 18.2677 24.3551 24.3551 25.1387 25.1387 27.4883 27.4883 30.6721 30.6721 k = 0.4483 0.0896 0.6124 ( 447 PWs) bands (ev): 11.8947 11.8947 12.4771 12.4771 14.0663 14.0663 16.2151 16.2151 18.2394 18.2394 24.2853 24.2853 25.0864 25.0864 27.5513 27.5513 30.7982 30.7982 k = 0.4440 0.0971 0.6124 ( 451 PWs) bands (ev): 11.8626 11.8626 12.4446 12.4446 14.1385 14.1385 16.2466 16.2466 18.2097 18.2097 24.2175 24.2175 25.0348 25.0348 27.6086 27.6086 30.9320 30.9320 k = 0.4397 0.1045 0.6124 ( 451 PWs) bands (ev): 11.8289 11.8289 12.4161 12.4161 14.2098 14.2098 16.2781 16.2781 18.1789 18.1789 24.1520 24.1520 24.9846 24.9846 27.6603 27.6603 31.0724 31.0724 k = 0.4353 0.1120 0.6124 ( 451 PWs) bands (ev): 11.7942 11.7942 12.3914 12.3914 14.2798 14.2798 16.3090 16.3090 18.1475 18.1475 24.0890 24.0890 24.9362 24.9362 27.7067 27.7067 31.2179 31.2179 k = 0.4310 0.1195 0.6124 ( 451 PWs) bands (ev): 11.7594 11.7594 12.3700 12.3700 14.3481 14.3481 16.3390 16.3390 18.1157 18.1157 24.0287 24.0287 24.8901 24.8901 27.7480 27.7480 31.3671 31.3671 k = 0.4267 0.1269 0.6124 ( 451 PWs) bands (ev): 11.7249 11.7249 12.3516 12.3516 14.4143 14.4143 16.3678 16.3678 18.0840 18.0840 23.9715 23.9715 24.8465 24.8465 27.7846 27.7846 31.5182 31.5182 k = 0.4224 0.1344 0.6124 ( 447 PWs) bands (ev): 11.6914 11.6914 12.3356 12.3356 14.4779 14.4779 16.3950 16.3950 18.0529 18.0529 23.9176 23.9176 24.8058 24.8058 27.8169 27.8169 31.6698 31.6698 k = 0.4181 0.1418 0.6124 ( 447 PWs) bands (ev): 11.6594 11.6594 12.3219 12.3219 14.5387 14.5387 16.4203 16.4203 18.0226 18.0226 23.8671 23.8671 24.7682 24.7682 27.8453 27.8453 31.8198 31.8198 k = 0.4138 0.1493 0.6124 ( 447 PWs) bands (ev): 11.6293 11.6293 12.3100 12.3100 14.5960 14.5960 16.4435 16.4435 17.9936 17.9936 23.8204 23.8204 24.7337 24.7337 27.8701 27.8701 31.9664 31.9664 k = 0.4095 0.1568 0.6124 ( 447 PWs) bands (ev): 11.6015 11.6015 12.2999 12.2999 14.6493 14.6493 16.4643 16.4643 17.9664 17.9664 23.7778 23.7778 24.7027 24.7027 27.8915 27.8915 32.1075 32.1075 k = 0.4052 0.1642 0.6124 ( 447 PWs) bands (ev): 11.5764 11.5764 12.2913 12.2913 14.6982 14.6982 16.4825 16.4825 17.9415 17.9415 23.7395 23.7395 24.6751 24.6751 27.9098 27.9098 32.2408 32.2408 k = 0.4009 0.1717 0.6124 ( 447 PWs) bands (ev): 11.5541 11.5541 12.2841 12.2841 14.7420 14.7420 16.4982 16.4982 17.9190 17.9190 23.7057 23.7057 24.6511 24.6511 27.9253 27.9253 32.3639 32.3639 k = 0.3966 0.1792 0.6124 ( 447 PWs) bands (ev): 11.5350 11.5350 12.2782 12.2782 14.7803 14.7803 16.5113 16.5113 17.8995 17.8995 23.6767 23.6767 24.6307 24.6307 27.9381 27.9381 32.4744 32.4744 k = 0.3922 0.1866 0.6124 ( 448 PWs) bands (ev): 11.5191 11.5191 12.2734 12.2734 14.8124 14.8124 16.5218 16.5218 17.8831 17.8831 23.6526 23.6526 24.6140 24.6140 27.9484 27.9484 32.5695 32.5695 k = 0.3879 0.1941 0.6124 ( 448 PWs) bands (ev): 11.5067 11.5067 12.2697 12.2697 14.8380 14.8380 16.5298 16.5298 17.8701 17.8701 23.6337 23.6337 24.6009 24.6009 27.9563 27.9563 32.6468 32.6468 k = 0.3836 0.2016 0.6124 ( 444 PWs) bands (ev): 11.4977 11.4977 12.2672 12.2672 14.8566 14.8566 16.5355 16.5355 17.8607 17.8607 23.6202 23.6202 24.5916 24.5916 27.9620 27.9620 32.7039 32.7039 k = 0.3793 0.2090 0.6124 ( 440 PWs) bands (ev): 11.4923 11.4923 12.2656 12.2656 14.8679 14.8679 16.5388 16.5388 17.8551 17.8551 23.6120 23.6120 24.5860 24.5860 27.9653 27.9653 32.7391 32.7391 k = 0.3750 0.2165 0.6124 ( 440 PWs) bands (ev): 11.4905 11.4905 12.2651 12.2651 14.8716 14.8716 16.5399 16.5399 17.8532 17.8532 23.6092 23.6092 24.5842 24.5842 27.9664 27.9664 32.7509 32.7509 k = 0.3750 0.2165 0.6124 ( 440 PWs) bands (ev): 11.4905 11.4905 12.2651 12.2651 14.8716 14.8716 16.5399 16.5399 17.8532 17.8532 23.6092 23.6092 24.5842 24.5842 27.9664 27.9664 32.7509 32.7509 k = 0.3706 0.2140 0.6053 ( 444 PWs) bands (ev): 11.5315 11.5315 12.3320 12.3320 14.7745 14.7745 16.4763 16.4763 17.8067 17.8067 23.4906 23.4906 24.7566 24.7566 27.9191 27.9191 32.9450 32.9450 k = 0.3663 0.2115 0.5981 ( 444 PWs) bands (ev): 11.5729 11.5729 12.3980 12.3980 14.6800 14.6800 16.4133 16.4133 17.7594 17.7594 23.3579 23.3579 24.9451 24.9451 27.8738 27.8738 33.1429 33.1429 k = 0.3619 0.2090 0.5910 ( 444 PWs) bands (ev): 11.6145 11.6145 12.4627 12.4627 14.5882 14.5882 16.3509 16.3509 17.7113 17.7113 23.2190 23.2190 25.1417 25.1417 27.8307 27.8307 33.3445 33.3445 k = 0.3576 0.2064 0.5839 ( 444 PWs) bands (ev): 11.6562 11.6562 12.5258 12.5258 14.4991 14.4991 16.2893 16.2893 17.6625 17.6625 23.0775 23.0775 25.3430 25.3430 27.7905 27.7905 33.5495 33.5495 k = 0.3532 0.2039 0.5768 ( 444 PWs) bands (ev): 11.6980 11.6980 12.5869 12.5869 14.4129 14.4129 16.2286 16.2286 17.6129 17.6129 22.9351 22.9351 25.5472 25.5472 27.7537 27.7537 33.7576 33.7576 k = 0.3488 0.2014 0.5696 ( 444 PWs) bands (ev): 11.7396 11.7396 12.6457 12.6457 14.3294 14.3294 16.1689 16.1689 17.5625 17.5625 22.7930 22.7930 25.7530 25.7530 27.7208 27.7208 33.9688 33.9688 k = 0.3445 0.1989 0.5625 ( 444 PWs) bands (ev): 11.7809 11.7809 12.7018 12.7018 14.2489 14.2489 16.1103 16.1103 17.5115 17.5115 22.6516 22.6516 25.9596 25.9596 27.6928 27.6928 34.1828 34.1828 k = 0.3401 0.1964 0.5554 ( 444 PWs) bands (ev): 11.8219 11.8219 12.7549 12.7549 14.1713 14.1713 16.0530 16.0530 17.4599 17.4599 22.5115 22.5115 26.1660 26.1660 27.6705 27.6705 34.3994 34.3994 k = 0.3358 0.1938 0.5483 ( 444 PWs) bands (ev): 11.8622 11.8622 12.8046 12.8046 14.0967 14.0967 15.9970 15.9970 17.4077 17.4077 22.3728 22.3728 26.3711 26.3711 27.6553 27.6553 34.6185 34.6185 k = 0.3314 0.1913 0.5412 ( 444 PWs) bands (ev): 11.9016 11.9016 12.8509 12.8509 14.0252 14.0252 15.9425 15.9425 17.3548 17.3548 22.2356 22.2356 26.5734 26.5734 27.6492 27.6492 34.8398 34.8398 k = 0.3270 0.1888 0.5340 ( 443 PWs) bands (ev): 11.9399 11.9399 12.8933 12.8933 13.9568 13.9568 15.8894 15.8894 17.3015 17.3015 22.1001 22.1001 26.7700 26.7700 27.6552 27.6552 35.0630 35.0630 k = 0.3227 0.1863 0.5269 ( 443 PWs) bands (ev): 11.9768 11.9768 12.9319 12.9319 13.8917 13.8917 15.8380 15.8380 17.2476 17.2476 21.9661 21.9661 26.9561 26.9561 27.6787 27.6787 35.2880 35.2880 k = 0.3183 0.1838 0.5198 ( 447 PWs) bands (ev): 12.0118 12.0118 12.9664 12.9664 13.8299 13.8299 15.7883 15.7883 17.1933 17.1933 21.8335 21.8335 27.1232 27.1232 27.7284 27.7284 35.5141 35.5141 k = 0.3140 0.1813 0.5127 ( 447 PWs) bands (ev): 12.0447 12.0447 12.9969 12.9969 13.7716 13.7716 15.7403 15.7403 17.1386 17.1386 21.7024 21.7024 27.2604 27.2604 27.8157 27.8157 35.7407 35.7407 k = 0.3096 0.1787 0.5056 ( 447 PWs) bands (ev): 12.0749 12.0749 13.0233 13.0233 13.7170 13.7170 15.6943 15.6943 17.0835 17.0835 21.5726 21.5726 27.3628 27.3628 27.9459 27.9459 35.9659 35.9659 k = 0.3052 0.1762 0.4984 ( 447 PWs) bands (ev): 12.1019 12.1019 13.0456 13.0456 13.6663 13.6663 15.6501 15.6501 17.0281 17.0281 21.4438 21.4438 27.4387 27.4387 28.1111 28.1111 36.1839 36.1839 k = 0.3009 0.1737 0.4913 ( 447 PWs) bands (ev): 12.1250 12.1250 13.0641 13.0641 13.6198 13.6198 15.6080 15.6080 16.9724 16.9724 21.3160 21.3160 27.5013 27.5013 28.2983 28.2983 36.3685 36.3685 k = 0.2965 0.1712 0.4842 ( 447 PWs) bands (ev): 12.1438 12.1438 13.0787 13.0787 13.5777 13.5777 15.5680 15.5680 16.9165 16.9165 21.1889 21.1889 27.5602 27.5602 28.4982 28.4982 36.4367 36.4367 k = 0.2922 0.1687 0.4771 ( 441 PWs) bands (ev): 12.1576 12.1576 13.0895 13.0895 13.5406 13.5406 15.5301 15.5301 16.8604 16.8604 21.0624 21.0624 27.6211 27.6211 28.7055 28.7055 36.4123 36.4123 k = 0.2878 0.1662 0.4700 ( 441 PWs) bands (ev): 12.1656 12.1656 13.0967 13.0967 13.5090 13.5090 15.4945 15.4945 16.8042 16.8042 20.9362 20.9362 27.6869 27.6869 28.9171 28.9171 36.3690 36.3690 k = 0.2834 0.1636 0.4628 ( 441 PWs) bands (ev): 12.1673 12.1673 13.1002 13.1002 13.4833 13.4833 15.4612 15.4612 16.7479 16.7479 20.8102 20.8102 27.7594 27.7594 29.1314 29.1314 36.3246 36.3246 k = 0.2791 0.1611 0.4557 ( 441 PWs) bands (ev): 12.1621 12.1621 13.0999 13.0999 13.4643 13.4643 15.4302 15.4302 16.6916 16.6916 20.6843 20.6843 27.8396 27.8396 29.3474 29.3474 36.2835 36.2835 k = 0.2747 0.1586 0.4486 ( 441 PWs) bands (ev): 12.1497 12.1497 13.0960 13.0960 13.4522 13.4522 15.4016 15.4016 16.6353 16.6353 20.5582 20.5582 27.9280 27.9280 29.5646 29.5646 36.2474 36.2474 k = 0.2703 0.1561 0.4415 ( 445 PWs) bands (ev): 12.1297 12.1297 13.0886 13.0886 13.4472 13.4472 15.3755 15.3755 16.5790 16.5790 20.4321 20.4321 28.0248 28.0248 29.7824 29.7824 36.2169 36.2169 k = 0.2660 0.1536 0.4344 ( 445 PWs) bands (ev): 12.1020 12.1020 13.0785 13.0785 13.4488 13.4488 15.3519 15.3519 16.5230 16.5230 20.3057 20.3057 28.1304 28.1304 30.0005 30.0005 36.1928 36.1928 k = 0.2616 0.1511 0.4272 ( 443 PWs) bands (ev): 12.0667 12.0667 13.0662 13.0662 13.4565 13.4565 15.3308 15.3308 16.4671 16.4671 20.1790 20.1790 28.2445 28.2445 30.2188 30.2188 36.1755 36.1755 k = 0.2573 0.1485 0.4201 ( 443 PWs) bands (ev): 12.0239 12.0239 13.0525 13.0525 13.4694 13.4694 15.3123 15.3123 16.4115 16.4115 20.0521 20.0521 28.3671 28.3671 30.4367 30.4367 36.1653 36.1653 k = 0.2529 0.1460 0.4130 ( 443 PWs) bands (ev): 11.9740 11.9740 13.0383 13.0383 13.4866 13.4866 15.2963 15.2963 16.3562 16.3562 19.9249 19.9249 28.4978 28.4978 30.6542 30.6542 36.1627 36.1627 k = 0.2485 0.1435 0.4059 ( 443 PWs) bands (ev): 11.9173 11.9173 13.0241 13.0241 13.5073 13.5073 15.2828 15.2828 16.3013 16.3013 19.7975 19.7975 28.6365 28.6365 30.8710 30.8710 36.1679 36.1679 k = 0.2442 0.1410 0.3988 ( 443 PWs) bands (ev): 11.8542 11.8542 13.0105 13.0105 13.5306 13.5306 15.2719 15.2719 16.2469 16.2469 19.6701 19.6701 28.7827 28.7827 31.0868 31.0868 36.1813 36.1813 k = 0.2398 0.1385 0.3916 ( 443 PWs) bands (ev): 11.7852 11.7852 12.9979 12.9979 13.5560 13.5560 15.2635 15.2635 16.1930 16.1930 19.5426 19.5426 28.9360 28.9360 31.3015 31.3015 36.2034 36.2034 k = 0.2355 0.1359 0.3845 ( 443 PWs) bands (ev): 11.7107 11.7107 12.9866 12.9866 13.5828 13.5828 15.2576 15.2576 16.1397 16.1397 19.4153 19.4153 29.0958 29.0958 31.5148 31.5148 36.2343 36.2343 k = 0.2311 0.1334 0.3774 ( 449 PWs) bands (ev): 11.6312 11.6312 12.9768 12.9768 13.6105 13.6105 15.2541 15.2541 16.0871 16.0871 19.2883 19.2883 29.2616 29.2616 31.7262 31.7262 36.2744 36.2744 k = 0.2267 0.1309 0.3703 ( 449 PWs) bands (ev): 11.5472 11.5472 12.9687 12.9687 13.6387 13.6387 15.2531 15.2531 16.0352 16.0352 19.1617 19.1617 29.4330 29.4330 31.9359 31.9359 36.3242 36.3242 k = 0.2224 0.1284 0.3632 ( 449 PWs) bands (ev): 11.4591 11.4591 12.9623 12.9623 13.6669 13.6669 15.2543 15.2543 15.9842 15.9842 19.0358 19.0358 29.6092 29.6092 32.1434 32.1434 36.3838 36.3838 k = 0.2180 0.1259 0.3560 ( 449 PWs) bands (ev): 11.3673 11.3673 12.9578 12.9578 13.6949 13.6949 15.2579 15.2579 15.9341 15.9341 18.9108 18.9108 29.7897 29.7897 32.3485 32.3485 36.4535 36.4535 k = 0.2137 0.1234 0.3489 ( 449 PWs) bands (ev): 11.2723 11.2723 12.9551 12.9551 13.7223 13.7223 15.2635 15.2635 15.8851 15.8851 18.7868 18.7868 29.9739 29.9739 32.5508 32.5508 36.5337 36.5337 k = 0.2093 0.1208 0.3418 ( 449 PWs) bands (ev): 11.1744 11.1744 12.9543 12.9543 13.7489 13.7489 15.2712 15.2712 15.8372 15.8372 18.6641 18.6641 30.1612 30.1612 32.7500 32.7500 36.6245 36.6245 k = 0.2049 0.1183 0.3347 ( 449 PWs) bands (ev): 11.0740 11.0740 12.9554 12.9554 13.7745 13.7745 15.2807 15.2807 15.7907 15.7907 18.5429 18.5429 30.3509 30.3509 32.9458 32.9458 36.7259 36.7259 k = 0.2006 0.1158 0.3275 ( 449 PWs) bands (ev): 10.9715 10.9715 12.9584 12.9584 13.7988 13.7988 15.2917 15.2917 15.7457 15.7457 18.4234 18.4234 30.5424 30.5424 33.1377 33.1377 36.8380 36.8380 k = 0.1962 0.1133 0.3204 ( 449 PWs) bands (ev): 10.8671 10.8671 12.9632 12.9632 13.8217 13.8217 15.3040 15.3040 15.7026 15.7026 18.3059 18.3059 30.7352 30.7352 33.3255 33.3255 36.9606 36.9606 k = 0.1919 0.1108 0.3133 ( 453 PWs) bands (ev): 10.7613 10.7613 12.9698 12.9698 13.8430 13.8430 15.3170 15.3170 15.6617 15.6617 18.1906 18.1906 30.9287 30.9287 33.5086 33.5086 37.0931 37.0931 k = 0.1875 0.1083 0.3062 ( 453 PWs) bands (ev): 10.6542 10.6542 12.9781 12.9781 13.8625 13.8625 15.3299 15.3299 15.6239 15.6239 18.0776 18.0776 31.1225 31.1225 33.6867 33.6867 37.2348 37.2348 k = 0.1831 0.1057 0.2991 ( 453 PWs) bands (ev): 10.5463 10.5463 12.9881 12.9881 13.8802 13.8802 15.3413 15.3413 15.5904 15.5904 17.9674 17.9674 31.3160 31.3160 33.8591 33.8591 37.3838 37.3838 k = 0.1788 0.1032 0.2919 ( 457 PWs) bands (ev): 10.4377 10.4377 12.9997 12.9997 13.8960 13.8960 15.3491 15.3491 15.5632 15.5632 17.8599 17.8599 31.5089 31.5089 34.0252 34.0252 37.5367 37.5367 k = 0.1744 0.1007 0.2848 ( 457 PWs) bands (ev): 10.3288 10.3288 13.0129 13.0129 13.9098 13.9098 15.3501 15.3501 15.5454 15.5454 17.7556 17.7556 31.7009 31.7009 34.1842 34.1842 37.6865 37.6865 k = 0.1701 0.0982 0.2777 ( 457 PWs) bands (ev): 10.2197 10.2197 13.0275 13.0275 13.9216 13.9216 15.3419 15.3419 15.5393 15.5393 17.6546 17.6546 31.8916 31.8916 34.3352 34.3352 37.8181 37.8181 k = 0.1657 0.0957 0.2706 ( 457 PWs) bands (ev): 10.1107 10.1107 13.0435 13.0435 13.9312 13.9312 15.3244 15.3244 15.5447 15.5447 17.5572 17.5572 32.0810 32.0810 34.4769 34.4769 37.9042 37.9042 k = 0.1613 0.0931 0.2635 ( 457 PWs) bands (ev): 10.0021 10.0021 13.0607 13.0607 13.9387 13.9387 15.3003 15.3003 15.5589 15.5589 17.4635 17.4635 32.2689 32.2689 34.6081 34.6081 37.9233 37.9233 k = 0.1570 0.0906 0.2563 ( 457 PWs) bands (ev): 9.8940 9.8940 13.0792 13.0792 13.9441 13.9441 15.2724 15.2724 15.5789 15.5789 17.3738 17.3738 32.4552 32.4552 34.7272 34.7272 37.8913 37.8913 k = 0.1526 0.0881 0.2492 ( 457 PWs) bands (ev): 9.7866 9.7866 13.0987 13.0987 13.9474 13.9474 15.2424 15.2424 15.6027 15.6027 17.2882 17.2882 32.6399 32.6399 34.8324 34.8324 37.8375 37.8375 k = 0.1483 0.0856 0.2421 ( 457 PWs) bands (ev): 9.6802 9.6802 13.1192 13.1192 13.9487 13.9487 15.2114 15.2114 15.6291 15.6291 17.2068 17.2068 32.8232 32.8232 34.9221 34.9221 37.7803 37.7803 k = 0.1439 0.0831 0.2350 ( 459 PWs) bands (ev): 9.5749 9.5749 13.1406 13.1406 13.9479 13.9479 15.1800 15.1800 15.6573 15.6573 17.1299 17.1299 33.0050 33.0050 34.9944 34.9944 37.7290 37.7290 k = 0.1395 0.0806 0.2279 ( 459 PWs) bands (ev): 9.4709 9.4709 13.1627 13.1627 13.9453 13.9453 15.1485 15.1485 15.6868 15.6868 17.0576 17.0576 33.1856 33.1856 35.0479 35.0479 37.6884 37.6884 k = 0.1352 0.0780 0.2207 ( 451 PWs) bands (ev): 9.3684 9.3684 13.1855 13.1855 13.9408 13.9408 15.1170 15.1170 15.7173 15.7173 16.9898 16.9898 33.3652 33.3652 35.0818 35.0818 37.6611 37.6611 k = 0.1308 0.0755 0.2136 ( 451 PWs) bands (ev): 9.2675 9.2675 13.2087 13.2087 13.9346 13.9346 15.0856 15.0856 15.7485 15.7485 16.9268 16.9268 33.5438 33.5438 35.0958 35.0958 37.6477 37.6477 k = 0.1265 0.0730 0.2065 ( 451 PWs) bands (ev): 9.1684 9.1684 13.2323 13.2323 13.9268 13.9268 15.0544 15.0544 15.7802 15.7802 16.8684 16.8684 33.7214 33.7214 35.0907 35.0907 37.6480 37.6481 k = 0.1221 0.0705 0.1994 ( 451 PWs) bands (ev): 9.0713 9.0713 13.2561 13.2561 13.9176 13.9176 15.0234 15.0234 15.8123 15.8123 16.8146 16.8146 33.8984 33.8984 35.0682 35.0682 37.6607 37.6607 k = 0.1177 0.0680 0.1923 ( 453 PWs) bands (ev): 8.9763 8.9763 13.2800 13.2800 13.9071 13.9071 14.9926 14.9926 15.8446 15.8446 16.7654 16.7654 34.0745 34.0745 35.0306 35.0306 37.6837 37.6837 k = 0.1134 0.0655 0.1851 ( 453 PWs) bands (ev): 8.8835 8.8835 13.3038 13.3038 13.8954 13.8954 14.9623 14.9623 15.8770 15.8770 16.7207 16.7207 34.2493 34.2493 34.9809 34.9809 37.7146 37.7146 k = 0.1090 0.0629 0.1780 ( 461 PWs) bands (ev): 8.7931 8.7931 13.3275 13.3275 13.8827 13.8827 14.9323 14.9323 15.9093 15.9093 16.6803 16.6803 34.4210 34.4210 34.9234 34.9234 37.7510 37.7510 k = 0.1047 0.0604 0.1709 ( 461 PWs) bands (ev): 8.7053 8.7053 13.3508 13.3508 13.8692 13.8692 14.9029 14.9029 15.9415 15.9415 16.6440 16.6440 34.5819 34.5819 34.8685 34.8685 37.7908 37.7908 k = 0.1003 0.0579 0.1638 ( 461 PWs) bands (ev): 8.6200 8.6200 13.3736 13.3736 13.8549 13.8549 14.8742 14.8742 15.9735 15.9735 16.6115 16.6115 34.6782 34.6782 34.8720 34.8720 37.8321 37.8321 k = 0.0959 0.0554 0.1567 ( 461 PWs) bands (ev): 8.5375 8.5375 13.3957 13.3957 13.8401 13.8401 14.8462 14.8462 16.0050 16.0050 16.5828 16.5828 34.6440 34.6440 35.0017 35.0017 37.8733 37.8733 k = 0.0916 0.0529 0.1495 ( 461 PWs) bands (ev): 8.4579 8.4579 13.4171 13.4171 13.8249 13.8249 14.8193 14.8193 16.0361 16.0361 16.5574 16.5574 34.5696 34.5696 35.1688 35.1688 37.9131 37.9131 k = 0.0872 0.0504 0.1424 ( 461 PWs) bands (ev): 8.3813 8.3813 13.4376 13.4376 13.8094 13.8094 14.7935 14.7935 16.0667 16.0667 16.5351 16.5351 34.4865 34.4865 35.3431 35.3431 37.9507 37.9507 k = 0.0828 0.0478 0.1353 ( 457 PWs) bands (ev): 8.3078 8.3078 13.4570 13.4570 13.7938 13.7938 14.7689 14.7689 16.0965 16.0965 16.5158 16.5158 34.4007 34.4007 35.5197 35.5197 37.9855 37.9855 k = 0.0785 0.0453 0.1282 ( 457 PWs) bands (ev): 8.2374 8.2374 13.4754 13.4754 13.7781 13.7781 14.7458 14.7458 16.1256 16.1256 16.4990 16.4990 34.3143 34.3143 35.6970 35.6970 38.0170 38.0170 k = 0.0741 0.0428 0.1211 ( 457 PWs) bands (ev): 8.1703 8.1703 13.4925 13.4925 13.7626 13.7626 14.7242 14.7242 16.1538 16.1538 16.4845 16.4845 34.2287 34.2287 35.8743 35.8743 38.0452 38.0452 k = 0.0698 0.0403 0.1139 ( 457 PWs) bands (ev): 8.1066 8.1066 13.5083 13.5083 13.7472 13.7472 14.7043 14.7043 16.1811 16.1811 16.4722 16.4722 34.1449 34.1449 36.0508 36.0508 38.0700 38.0700 k = 0.0654 0.0378 0.1068 ( 457 PWs) bands (ev): 8.0463 8.0463 13.5228 13.5228 13.7322 13.7322 14.6861 14.6861 16.2073 16.2073 16.4617 16.4617 34.0635 34.0635 36.2258 36.2258 38.0917 38.0917 k = 0.0610 0.0352 0.0997 ( 449 PWs) bands (ev): 7.9895 7.9895 13.5359 13.5359 13.7177 13.7177 14.6696 14.6696 16.2323 16.2323 16.4529 16.4529 33.9852 33.9852 36.3984 36.3984 38.1107 38.1107 k = 0.0567 0.0327 0.0926 ( 453 PWs) bands (ev): 7.9363 7.9363 13.5476 13.5476 13.7036 13.7036 14.6549 14.6549 16.2561 16.2561 16.4454 16.4454 33.9103 33.9103 36.5674 36.5674 38.1276 38.1276 k = 0.0523 0.0302 0.0854 ( 453 PWs) bands (ev): 7.8868 7.8868 13.5580 13.5580 13.6902 13.6902 14.6419 14.6419 16.2785 16.2785 16.4392 16.4392 33.8395 33.8395 36.7314 36.7314 38.1432 38.1432 k = 0.0480 0.0277 0.0783 ( 447 PWs) bands (ev): 7.8411 7.8411 13.5671 13.5671 13.6775 13.6775 14.6306 14.6306 16.2995 16.2995 16.4341 16.4341 33.7731 33.7731 36.8886 36.8886 38.1587 38.1587 k = 0.0436 0.0252 0.0712 ( 447 PWs) bands (ev): 7.7991 7.7991 13.5749 13.5749 13.6656 13.6656 14.6209 14.6209 16.3190 16.3190 16.4300 16.4300 33.7114 33.7114 37.0364 37.0364 38.1758 38.1758 k = 0.0392 0.0227 0.0641 ( 451 PWs) bands (ev): 7.7609 7.7609 13.5816 13.5816 13.6546 13.6546 14.6127 14.6127 16.3369 16.3369 16.4266 16.4266 33.6547 33.6547 37.1719 37.1719 38.1966 38.1966 k = 0.0349 0.0201 0.0570 ( 451 PWs) bands (ev): 7.7267 7.7267 13.5872 13.5872 13.6445 13.6445 14.6058 14.6058 16.3531 16.3531 16.4238 16.4238 33.6033 33.6033 37.2918 37.2918 38.2234 38.2234 k = 0.0305 0.0176 0.0498 ( 451 PWs) bands (ev): 7.6963 7.6963 13.5918 13.5918 13.6354 13.6354 14.6002 14.6002 16.3676 16.3676 16.4216 16.4216 33.5574 33.5574 37.3929 37.3929 38.2582 38.2582 k = 0.0262 0.0151 0.0427 ( 455 PWs) bands (ev): 7.6700 7.6700 13.5956 13.5956 13.6274 13.6274 14.5956 14.5956 16.3803 16.3803 16.4199 16.4199 33.5173 33.5173 37.4733 37.4733 38.3016 38.3016 k = 0.0218 0.0126 0.0356 ( 459 PWs) bands (ev): 7.6476 7.6476 13.5986 13.5986 13.6206 13.6206 14.5920 14.5920 16.3911 16.3911 16.4186 16.4186 33.4831 33.4831 37.5330 37.5330 38.3518 38.3518 k = 0.0174 0.0101 0.0285 ( 459 PWs) bands (ev): 7.6293 7.6293 13.6009 13.6009 13.6149 13.6149 14.5893 14.5893 16.4000 16.4000 16.4176 16.4176 33.4548 33.4548 37.5745 37.5745 38.4046 38.4046 k = 0.0131 0.0076 0.0214 ( 459 PWs) bands (ev): 7.6150 7.6150 13.6026 13.6026 13.6105 13.6105 14.5873 14.5873 16.4070 16.4070 16.4169 16.4169 33.4328 33.4328 37.6017 37.6017 38.4540 38.4540 k = 0.0087 0.0050 0.0142 ( 459 PWs) bands (ev): 7.6048 7.6048 13.6038 13.6038 13.6073 13.6073 14.5859 14.5859 16.4120 16.4120 16.4164 16.4164 33.4170 33.4170 37.6181 37.6181 38.4941 38.4941 k = 0.0044 0.0025 0.0071 ( 459 PWs) bands (ev): 7.5986 7.5986 13.6045 13.6045 13.6054 13.6054 14.5851 14.5851 16.4150 16.4150 16.4161 16.4161 33.4074 33.4074 37.6268 37.6268 38.5203 38.5203 k = 0.0000 0.0000 0.0000 ( 459 PWs) bands (ev): 7.5966 7.5966 13.6047 13.6047 13.6047 13.6047 14.5848 14.5848 16.4160 16.4160 16.4160 16.4160 33.4043 33.4043 37.6295 37.6295 38.5294 38.5294 k = 0.0000 0.0000 0.0000 ( 459 PWs) bands (ev): 7.5966 7.5966 13.6047 13.6047 13.6047 13.6047 14.5848 14.5848 16.4160 16.4160 16.4160 16.4160 33.4043 33.4043 37.6295 37.6295 38.5294 38.5294 k = 0.0071 0.0041 0.0029 ( 459 PWs) bands (ev): 7.5986 7.5986 13.6046 13.6046 13.6053 13.6053 14.5851 14.5851 16.4152 16.4152 16.4159 16.4159 33.4075 33.4075 37.6268 37.6268 38.5197 38.5197 k = 0.0143 0.0082 0.0058 ( 459 PWs) bands (ev): 7.6048 7.6048 13.6042 13.6042 13.6069 13.6069 14.5859 14.5859 16.4128 16.4128 16.4156 16.4156 33.4170 33.4170 37.6178 37.6178 38.4922 38.4922 k = 0.0214 0.0124 0.0087 ( 459 PWs) bands (ev): 7.6151 7.6151 13.6036 13.6036 13.6095 13.6095 14.5873 14.5873 16.4088 16.4088 16.4150 16.4150 33.4329 33.4329 37.6002 37.6002 38.4510 38.4511 k = 0.0286 0.0165 0.0117 ( 459 PWs) bands (ev): 7.6295 7.6295 13.6027 13.6027 13.6132 13.6132 14.5893 14.5893 16.4033 16.4033 16.4143 16.4143 33.4551 33.4551 37.5700 37.5700 38.4029 38.4029 k = 0.0357 0.0206 0.0146 ( 459 PWs) bands (ev): 7.6479 7.6479 13.6014 13.6014 13.6179 13.6179 14.5920 14.5920 16.3962 16.3962 16.4134 16.4134 33.4834 33.4834 37.5218 37.5218 38.3560 38.3560 k = 0.0429 0.0247 0.0175 ( 453 PWs) bands (ev): 7.6704 7.6704 13.5996 13.5996 13.6236 13.6236 14.5956 14.5956 16.3877 16.3877 16.4124 16.4124 33.5178 33.5178 37.4507 37.4507 38.3187 38.3187 k = 0.0500 0.0289 0.0204 ( 453 PWs) bands (ev): 7.6969 7.6969 13.5973 13.5973 13.6301 13.6301 14.6001 14.6001 16.3777 16.3777 16.4115 16.4115 33.5579 33.5579 37.3537 37.3537 38.2968 38.2968 k = 0.0571 0.0330 0.0233 ( 453 PWs) bands (ev): 7.7274 7.7274 13.5945 13.5945 13.6375 13.6375 14.6057 14.6057 16.3664 16.3664 16.4106 16.4106 33.6037 33.6037 37.2317 37.2317 38.2921 38.2921 k = 0.0643 0.0371 0.0262 ( 447 PWs) bands (ev): 7.7618 7.7618 13.5909 13.5909 13.6457 13.6457 14.6124 14.6124 16.3539 16.3539 16.4098 16.4098 33.6549 33.6549 37.0879 37.0879 38.3036 38.3036 k = 0.0714 0.0412 0.0292 ( 447 PWs) bands (ev): 7.8001 7.8001 13.5866 13.5866 13.6545 13.6545 14.6204 14.6204 16.3401 16.3401 16.4093 16.4093 33.7111 33.7111 36.9265 36.9265 38.3289 38.3289 k = 0.0786 0.0454 0.0321 ( 450 PWs) bands (ev): 7.8422 7.8422 13.5814 13.5814 13.6640 13.6640 14.6299 14.6299 16.3253 16.3253 16.4092 16.4092 33.7720 33.7720 36.7513 36.7513 38.3657 38.3657 k = 0.0857 0.0495 0.0350 ( 450 PWs) bands (ev): 7.8880 7.8880 13.5753 13.5753 13.6739 13.6739 14.6408 14.6408 16.3095 16.3095 16.4095 16.4095 33.8373 33.8373 36.5655 36.5655 38.4120 38.4120 k = 0.0929 0.0536 0.0379 ( 450 PWs) bands (ev): 7.9375 7.9375 13.5684 13.5684 13.6843 13.6843 14.6533 14.6533 16.2929 16.2929 16.4104 16.4104 33.9065 33.9065 36.3717 36.3717 38.4662 38.4662 k = 0.1000 0.0577 0.0408 ( 456 PWs) bands (ev): 7.9906 7.9906 13.5606 13.5606 13.6949 13.6949 14.6674 14.6674 16.2757 16.2757 16.4121 16.4121 33.9790 33.9790 36.1715 36.1715 38.5271 38.5271 k = 0.1071 0.0619 0.0437 ( 456 PWs) bands (ev): 8.0472 8.0472 13.5519 13.5519 13.7057 13.7057 14.6831 14.6831 16.2580 16.2580 16.4147 16.4147 34.0540 34.0540 35.9666 35.9666 38.5938 38.5938 k = 0.1143 0.0660 0.0467 ( 456 PWs) bands (ev): 8.1072 8.1072 13.5425 13.5425 13.7165 13.7165 14.7003 14.7003 16.2399 16.2399 16.4183 16.4183 34.1309 34.1309 35.7582 35.7582 38.6655 38.6655 k = 0.1214 0.0701 0.0496 ( 456 PWs) bands (ev): 8.1705 8.1705 13.5323 13.5323 13.7273 13.7273 14.7190 14.7190 16.2218 16.2218 16.4231 16.4231 34.2083 34.2083 35.5476 35.5476 38.7415 38.7415 k = 0.1286 0.0742 0.0525 ( 456 PWs) bands (ev): 8.2368 8.2368 13.5217 13.5217 13.7379 13.7379 14.7390 14.7390 16.2038 16.2038 16.4292 16.4292 34.2845 34.2845 35.3365 35.3365 38.8210 38.8210 k = 0.1357 0.0784 0.0554 ( 456 PWs) bands (ev): 8.3062 8.3062 13.5106 13.5106 13.7481 13.7481 14.7602 14.7602 16.1862 16.1862 16.4368 16.4368 34.3557 34.3557 35.1281 35.1281 38.9033 38.9033 k = 0.1429 0.0825 0.0583 ( 456 PWs) bands (ev): 8.3784 8.3784 13.4994 13.4994 13.7578 13.7578 14.7822 14.7822 16.1693 16.1693 16.4461 16.4461 34.4121 34.4121 34.9317 34.9317 38.9878 38.9878 k = 0.1500 0.0866 0.0612 ( 459 PWs) bands (ev): 8.4533 8.4533 13.4883 13.4883 13.7670 13.7670 14.8049 14.8049 16.1534 16.1534 16.4571 16.4571 34.4197 34.4197 34.7806 34.7806 39.0736 39.0736 k = 0.1571 0.0907 0.0642 ( 459 PWs) bands (ev): 8.5306 8.5306 13.4775 13.4775 13.7754 13.7754 14.8279 14.8279 16.1389 16.1389 16.4700 16.4700 34.3151 34.3151 34.7371 34.7371 39.1600 39.1600 k = 0.1643 0.0949 0.0671 ( 459 PWs) bands (ev): 8.6101 8.6101 13.4673 13.4673 13.7830 13.7830 14.8509 14.8509 16.1262 16.1262 16.4850 16.4850 34.1286 34.1286 34.7699 34.7699 39.2459 39.2459 k = 0.1714 0.0990 0.0700 ( 459 PWs) bands (ev): 8.6916 8.6916 13.4581 13.4581 13.7896 13.7896 14.8733 14.8733 16.1158 16.1158 16.5021 16.5021 33.9150 33.9150 34.8231 34.8231 39.3304 39.3304 k = 0.1786 0.1031 0.0729 ( 459 PWs) bands (ev): 8.7749 8.7749 13.4501 13.4501 13.7953 13.7953 14.8948 14.8948 16.1080 16.1080 16.5214 16.5214 33.6911 33.6911 34.8784 34.8784 39.4124 39.4124 k = 0.1857 0.1072 0.0758 ( 459 PWs) bands (ev): 8.8597 8.8597 13.4438 13.4438 13.7998 13.7998 14.9148 14.9148 16.1033 16.1033 16.5431 16.5431 33.4616 33.4616 34.9298 34.9298 39.4907 39.4907 k = 0.1929 0.1113 0.0787 ( 459 PWs) bands (ev): 8.9456 8.9456 13.4395 13.4395 13.8031 13.8031 14.9329 14.9329 16.1022 16.1022 16.5672 16.5672 33.2284 33.2284 34.9742 34.9742 39.5642 39.5642 k = 0.2000 0.1155 0.0816 ( 459 PWs) bands (ev): 9.0323 9.0323 13.4376 13.4376 13.8052 13.8052 14.9485 14.9485 16.1052 16.1052 16.5937 16.5937 32.9921 32.9921 35.0096 35.0096 39.6318 39.6318 k = 0.2071 0.1196 0.0846 ( 459 PWs) bands (ev): 9.1194 9.1194 13.4386 13.4386 13.8060 13.8060 14.9614 14.9614 16.1126 16.1126 16.6227 16.6227 32.7530 32.7530 35.0347 35.0347 39.6926 39.6926 k = 0.2143 0.1237 0.0875 ( 459 PWs) bands (ev): 9.2066 9.2066 13.4429 13.4429 13.8055 13.8055 14.9711 14.9711 16.1248 16.1248 16.6542 16.6542 32.5112 32.5112 35.0483 35.0483 39.7456 39.7456 k = 0.2214 0.1278 0.0904 ( 465 PWs) bands (ev): 9.2935 9.2935 13.4510 13.4510 13.8037 13.8037 14.9774 14.9774 16.1419 16.1419 16.6881 16.6881 32.2669 32.2669 35.0496 35.0496 39.7900 39.7900 k = 0.2286 0.1320 0.0933 ( 465 PWs) bands (ev): 9.3796 9.3796 13.4634 13.4634 13.8006 13.8006 14.9803 14.9803 16.1640 16.1640 16.7243 16.7243 32.0201 32.0201 35.0386 35.0386 39.8253 39.8253 k = 0.2357 0.1361 0.0962 ( 465 PWs) bands (ev): 9.4644 9.4644 13.4805 13.4805 13.7963 13.7963 14.9796 14.9796 16.1910 16.1910 16.7630 16.7630 31.7709 31.7709 35.0151 35.0151 39.8502 39.8502 k = 0.2429 0.1402 0.0991 ( 459 PWs) bands (ev): 9.5475 9.5475 13.5029 13.5029 13.7907 13.7907 14.9756 14.9756 16.2228 16.2228 16.8039 16.8039 31.5193 31.5193 34.9796 34.9796 39.8634 39.8634 k = 0.2500 0.1443 0.1021 ( 459 PWs) bands (ev): 9.6284 9.6284 13.5310 13.5310 13.7840 13.7840 14.9685 14.9685 16.2590 16.2590 16.8469 16.8469 31.2653 31.2653 34.9329 34.9329 39.8632 39.8632 k = 0.2571 0.1485 0.1050 ( 459 PWs) bands (ev): 9.7066 9.7066 13.5654 13.5654 13.7762 13.7762 14.9585 14.9585 16.2994 16.2994 16.8920 16.8920 31.0090 31.0090 34.8759 34.8759 39.8477 39.8477 k = 0.2643 0.1526 0.1079 ( 456 PWs) bands (ev): 9.7818 9.7818 13.6064 13.6064 13.7673 13.7673 14.9459 14.9459 16.3435 16.3435 16.9390 16.9390 30.7505 30.7505 34.8098 34.8098 39.8151 39.8151 k = 0.2714 0.1567 0.1108 ( 456 PWs) bands (ev): 9.8534 9.8534 13.6544 13.6544 13.7575 13.7575 14.9312 14.9312 16.3909 16.3909 16.9877 16.9877 30.4900 30.4900 34.7360 34.7360 39.7642 39.7642 k = 0.2786 0.1608 0.1137 ( 456 PWs) bands (ev): 9.9212 9.9212 13.7098 13.7098 13.7468 13.7468 14.9146 14.9146 16.4412 16.4412 17.0380 17.0380 30.2276 30.2276 34.6557 34.6557 39.6949 39.6949 k = 0.2857 0.1650 0.1166 ( 456 PWs) bands (ev): 9.9847 9.9847 13.7354 13.7354 13.7728 13.7728 14.8965 14.8965 16.4939 16.4939 17.0898 17.0898 29.9636 29.9636 34.5702 34.5702 39.6080 39.6080 k = 0.2929 0.1691 0.1196 ( 456 PWs) bands (ev): 10.0438 10.0438 13.7233 13.7233 13.8436 13.8436 14.8773 14.8773 16.5488 16.5488 17.1428 17.1428 29.6981 29.6981 34.4809 34.4809 39.5053 39.5053 k = 0.3000 0.1732 0.1225 ( 456 PWs) bands (ev): 10.0983 10.0983 13.7106 13.7106 13.9222 13.9222 14.8572 14.8572 16.6053 16.6053 17.1968 17.1968 29.4314 29.4314 34.3889 34.3889 39.3890 39.3890 k = 0.3071 0.1773 0.1254 ( 456 PWs) bands (ev): 10.1481 10.1481 13.6974 13.6974 14.0086 14.0086 14.8366 14.8366 16.6631 16.6631 17.2517 17.2517 29.1638 29.1638 34.2951 34.2951 39.2618 39.2618 k = 0.3143 0.1815 0.1283 ( 456 PWs) bands (ev): 10.1932 10.1932 13.6838 13.6838 14.1025 14.1025 14.8158 14.8158 16.7219 16.7219 17.3072 17.3072 28.8957 28.8957 34.2007 34.2007 39.1261 39.1261 k = 0.3214 0.1856 0.1312 ( 450 PWs) bands (ev): 10.2337 10.2337 13.6699 13.6699 14.2035 14.2035 14.7952 14.7952 16.7813 16.7813 17.3632 17.3632 28.6274 28.6274 34.1063 34.1063 38.9844 38.9844 k = 0.3286 0.1897 0.1341 ( 450 PWs) bands (ev): 10.2697 10.2697 13.6558 13.6558 14.3107 14.3107 14.7757 14.7757 16.8410 16.8410 17.4193 17.4193 28.3592 28.3592 34.0128 34.0128 38.8387 38.8387 k = 0.3357 0.1938 0.1371 ( 450 PWs) bands (ev): 10.3013 10.3013 13.6416 13.6416 14.4224 14.4224 14.7587 14.7587 16.9007 16.9007 17.4755 17.4755 28.0916 28.0916 33.9206 33.9206 38.6907 38.6907 k = 0.3429 0.1979 0.1400 ( 450 PWs) bands (ev): 10.3290 10.3290 13.6274 13.6274 14.5329 14.5329 14.7496 14.7496 16.9601 16.9601 17.5315 17.5315 27.8250 27.8250 33.8304 33.8304 38.5421 38.5421 k = 0.3500 0.2021 0.1429 ( 450 PWs) bands (ev): 10.3529 10.3529 13.6132 13.6132 14.6188 14.6188 14.7713 14.7713 17.0188 17.0188 17.5870 17.5870 27.5599 27.5599 33.7426 33.7426 38.3941 38.3941 k = 0.3571 0.2062 0.1458 ( 450 PWs) bands (ev): 10.3733 10.3733 13.5992 13.5992 14.6434 14.6434 14.8603 14.8603 17.0767 17.0767 17.6418 17.6418 27.2968 27.2968 33.6575 33.6575 38.2478 38.2479 k = 0.3643 0.2103 0.1487 ( 449 PWs) bands (ev): 10.3906 10.3906 13.5853 13.5853 14.6363 14.6363 14.9863 14.9863 17.1334 17.1334 17.6958 17.6958 27.0363 27.0363 33.5755 33.5755 38.1044 38.1044 k = 0.3714 0.2144 0.1516 ( 449 PWs) bands (ev): 10.4050 10.4050 13.5718 13.5718 14.6216 14.6216 15.1247 15.1247 17.1886 17.1886 17.7487 17.7487 26.7789 26.7789 33.4968 33.4968 37.9644 37.9644 k = 0.3786 0.2186 0.1546 ( 449 PWs) bands (ev): 10.4170 10.4170 13.5586 13.5586 14.6049 14.6049 15.2691 15.2691 17.2420 17.2420 17.8002 17.8002 26.5253 26.5253 33.4217 33.4217 37.8288 37.8288 k = 0.3857 0.2227 0.1575 ( 449 PWs) bands (ev): 10.4266 10.4266 13.5458 13.5458 14.5878 14.5878 15.4173 15.4173 17.2934 17.2934 17.8502 17.8502 26.2762 26.2762 33.3503 33.3503 37.6980 37.6980 k = 0.3929 0.2268 0.1604 ( 449 PWs) bands (ev): 10.4344 10.4344 13.5336 13.5336 14.5710 14.5710 15.5679 15.5679 17.3425 17.3425 17.8984 17.8984 26.0324 26.0324 33.2828 33.2828 37.5728 37.5728 k = 0.4000 0.2309 0.1633 ( 443 PWs) bands (ev): 10.4405 10.4405 13.5218 13.5218 14.5547 14.5547 15.7198 15.7198 17.3890 17.3890 17.9446 17.9446 25.7947 25.7947 33.2192 33.2192 37.4535 37.4535 k = 0.4071 0.2351 0.1662 ( 446 PWs) bands (ev): 10.4451 10.4451 13.5106 13.5106 14.5392 14.5392 15.8718 15.8718 17.4325 17.4325 17.9887 17.9887 25.5640 25.5640 33.1598 33.1598 37.3406 37.3406 k = 0.4143 0.2392 0.1691 ( 449 PWs) bands (ev): 10.4486 10.4486 13.5001 13.5001 14.5245 14.5245 16.0228 16.0228 17.4728 17.4728 18.0304 18.0304 25.3413 25.3413 33.1046 33.1046 37.2346 37.2346 k = 0.4214 0.2433 0.1720 ( 449 PWs) bands (ev): 10.4511 10.4511 13.4903 13.4903 14.5108 14.5108 16.1718 16.1718 17.5096 17.5096 18.0695 18.0695 25.1280 25.1280 33.0536 33.0536 37.1358 37.1358 k = 0.4286 0.2474 0.1750 ( 449 PWs) bands (ev): 10.4527 10.4527 13.4811 13.4811 14.4982 14.4982 16.3175 16.3175 17.5425 17.5425 18.1059 18.1059 24.9252 24.9252 33.0069 33.0069 37.0445 37.0445 k = 0.4357 0.2516 0.1779 ( 461 PWs) bands (ev): 10.4538 10.4538 13.4728 13.4728 14.4865 14.4865 16.4585 16.4585 17.5712 17.5712 18.1394 18.1394 24.7342 24.7342 32.9646 32.9646 36.9609 36.9609 k = 0.4429 0.2557 0.1808 ( 461 PWs) bands (ev): 10.4543 10.4543 13.4652 13.4652 14.4761 14.4761 16.5935 16.5935 17.5953 17.5953 18.1698 18.1698 24.5568 24.5568 32.9266 32.9266 36.8855 36.8855 k = 0.4500 0.2598 0.1837 ( 461 PWs) bands (ev): 10.4545 10.4545 13.4585 13.4585 14.4667 14.4667 16.7209 16.7209 17.6147 17.6147 18.1969 18.1969 24.3944 24.3944 32.8931 32.8931 36.8184 36.8184 k = 0.4571 0.2639 0.1866 ( 461 PWs) bands (ev): 10.4545 10.4545 13.4526 13.4526 14.4586 14.4586 16.8390 16.8390 17.6291 17.6291 18.2208 18.2208 24.2486 24.2486 32.8640 32.8640 36.7599 36.7599 k = 0.4643 0.2681 0.1895 ( 461 PWs) bands (ev): 10.4543 10.4543 13.4475 13.4475 14.4517 14.4517 16.9461 16.9461 17.6383 17.6383 18.2411 18.2411 24.1214 24.1214 32.8393 32.8393 36.7100 36.7100 k = 0.4714 0.2722 0.1925 ( 461 PWs) bands (ev): 10.4540 10.4540 13.4434 13.4434 14.4460 14.4460 17.0401 17.0401 17.6426 17.6426 18.2580 18.2580 24.0144 24.0144 32.8191 32.8191 36.6690 36.6690 k = 0.4786 0.2763 0.1954 ( 461 PWs) bands (ev): 10.4537 10.4537 13.4401 13.4401 14.4415 14.4415 17.1185 17.1185 17.6427 17.6427 18.2711 18.2711 23.9292 23.9292 32.8034 32.8034 36.6370 36.6370 k = 0.4857 0.2804 0.1983 ( 464 PWs) bands (ev): 10.4535 10.4535 13.4378 13.4378 14.4383 14.4383 17.1785 17.1785 17.6400 17.6400 18.2806 18.2806 23.8672 23.8672 32.7922 32.7922 36.6141 36.6141 k = 0.4929 0.2846 0.2012 ( 464 PWs) bands (ev): 10.4534 10.4534 13.4364 13.4364 14.4364 14.4364 17.2167 17.2167 17.6367 17.6367 18.2862 18.2862 23.8295 23.8295 32.7854 32.7854 36.6003 36.6003 k = 0.5000 0.2887 0.2041 ( 464 PWs) bands (ev): 10.4533 10.4533 13.4360 13.4360 14.4358 14.4358 17.2298 17.2298 17.6353 17.6353 18.2881 18.2881 23.8169 23.8169 32.7832 32.7832 36.5957 36.5957 k = 0.5000 0.2887 0.2041 ( 464 PWs) bands (ev): 10.4533 10.4533 13.4360 13.4360 14.4358 14.4358 17.2298 17.2298 17.6353 17.6353 18.2881 18.2881 23.8169 23.8169 32.7832 32.7832 36.5957 36.5957 k = 0.5025 0.2815 0.2082 ( 464 PWs) bands (ev): 10.4551 10.4551 13.4360 13.4360 14.4356 14.4356 17.1988 17.1988 17.6579 17.6579 18.2981 18.2981 23.8162 23.8162 32.7863 32.7863 36.5905 36.5905 k = 0.5050 0.2742 0.2123 ( 455 PWs) bands (ev): 10.4606 10.4606 13.4361 13.4361 14.4351 14.4351 17.1220 17.1220 17.7085 17.7085 18.3288 18.3288 23.8142 23.8142 32.7957 32.7957 36.5749 36.5749 k = 0.5075 0.2670 0.2164 ( 453 PWs) bands (ev): 10.4696 10.4696 13.4362 13.4362 14.4343 14.4343 17.0226 17.0226 17.7627 17.7627 18.3816 18.3816 23.8109 23.8109 32.8112 32.8112 36.5489 36.5489 k = 0.5100 0.2598 0.2205 ( 449 PWs) bands (ev): 10.4823 10.4823 13.4362 13.4362 14.4335 14.4335 16.9127 16.9127 17.8082 17.8082 18.4565 18.4565 23.8062 23.8062 32.8327 32.8327 36.5125 36.5125 k = 0.5125 0.2526 0.2245 ( 449 PWs) bands (ev): 10.4985 10.4985 13.4360 13.4360 14.4327 14.4327 16.7979 16.7979 17.8420 17.8420 18.5512 18.5512 23.8003 23.8003 32.8599 32.8599 36.4656 36.4656 k = 0.5150 0.2454 0.2286 ( 449 PWs) bands (ev): 10.5182 10.5182 13.4352 13.4352 14.4322 14.4322 16.6808 16.6808 17.8650 17.8650 18.6619 18.6619 23.7931 23.7931 32.8926 32.8926 36.4084 36.4084 k = 0.5175 0.2382 0.2327 ( 449 PWs) bands (ev): 10.5414 10.5414 13.4338 13.4338 14.4322 14.4322 16.5632 16.5632 17.8799 17.8799 18.7846 18.7846 23.7847 23.7847 32.9303 32.9303 36.3410 36.3410 k = 0.5200 0.2309 0.2368 ( 449 PWs) bands (ev): 10.5680 10.5680 13.4313 13.4313 14.4331 14.4331 16.4458 16.4458 17.8888 17.8888 18.9161 18.9161 23.7752 23.7752 32.9726 32.9726 36.2638 36.2638 k = 0.5225 0.2237 0.2409 ( 449 PWs) bands (ev): 10.5979 10.5979 13.4277 13.4277 14.4352 14.4352 16.3295 16.3295 17.8934 17.8934 19.0540 19.0540 23.7646 23.7646 33.0187 33.0187 36.1772 36.1772 k = 0.5250 0.2165 0.2449 ( 449 PWs) bands (ev): 10.6310 10.6310 13.4225 13.4225 14.4387 14.4387 16.2147 16.2147 17.8949 17.8949 19.1969 19.1969 23.7530 23.7530 33.0678 33.0678 36.0821 36.0821 k = 0.5275 0.2093 0.2490 ( 449 PWs) bands (ev): 10.6673 10.6673 13.4156 13.4156 14.4439 14.4439 16.1019 16.1019 17.8940 17.8940 19.3436 19.3436 23.7406 23.7406 33.1187 33.1187 35.9796 35.9796 k = 0.5300 0.2021 0.2531 ( 449 PWs) bands (ev): 10.7065 10.7065 13.4066 13.4066 14.4511 14.4511 15.9913 15.9913 17.8913 17.8913 19.4934 19.4934 23.7273 23.7273 33.1702 33.1702 35.8712 35.8712 k = 0.5325 0.1949 0.2572 ( 451 PWs) bands (ev): 10.7487 10.7487 13.3953 13.3953 14.4604 14.4604 15.8835 15.8835 17.8872 17.8872 19.6456 19.6456 23.7132 23.7132 33.2201 33.2201 35.7592 35.7592 k = 0.5350 0.1876 0.2613 ( 449 PWs) bands (ev): 10.7935 10.7935 13.3818 13.3818 14.4717 14.4717 15.7788 15.7788 17.8820 17.8820 19.7999 19.7999 23.6987 23.6987 33.2663 33.2663 35.6461 35.6461 k = 0.5375 0.1804 0.2654 ( 449 PWs) bands (ev): 10.8408 10.8408 13.3657 13.3657 14.4850 14.4850 15.6777 15.6777 17.8758 17.8758 19.9558 19.9558 23.6837 23.6837 33.3053 33.3053 35.5355 35.5355 k = 0.5400 0.1732 0.2694 ( 447 PWs) bands (ev): 10.8905 10.8905 13.3473 13.3473 14.4999 14.4999 15.5809 15.5809 17.8688 17.8688 20.1131 20.1131 23.6684 23.6684 33.3332 33.3332 35.4317 35.4317 k = 0.5425 0.1660 0.2735 ( 447 PWs) bands (ev): 10.9423 10.9423 13.3265 13.3265 14.5158 14.5158 15.4892 15.4892 17.8611 17.8611 20.2715 20.2715 23.6530 23.6530 33.3451 33.3451 35.3398 35.3398 k = 0.5450 0.1588 0.2776 ( 447 PWs) bands (ev): 10.9959 10.9959 13.3035 13.3035 14.5317 14.5317 15.4037 15.4037 17.8529 17.8529 20.4307 20.4307 23.6377 23.6377 33.3357 33.3357 35.2655 35.2655 k = 0.5475 0.1516 0.2817 ( 449 PWs) bands (ev): 11.0511 11.0511 13.2785 13.2785 14.5461 14.5461 15.3262 15.3262 17.8442 17.8442 20.5904 20.5904 23.6227 23.6227 33.3001 33.3001 35.2136 35.2136 k = 0.5500 0.1443 0.2858 ( 449 PWs) bands (ev): 11.1075 11.1075 13.2517 13.2517 14.5568 14.5568 15.2588 15.2588 17.8352 17.8352 20.7505 20.7505 23.6083 23.6083 33.2352 33.2352 35.1873 35.1873 k = 0.5525 0.1371 0.2899 ( 449 PWs) bands (ev): 11.1647 11.1647 13.2235 13.2235 14.5612 14.5612 15.2042 15.2042 17.8258 17.8258 20.9105 20.9105 23.5947 23.5947 33.1404 33.1404 35.1871 35.1871 k = 0.5550 0.1299 0.2939 ( 449 PWs) bands (ev): 11.2223 11.2223 13.1941 13.1941 14.5564 14.5564 15.1655 15.1655 17.8163 17.8163 21.0702 21.0702 23.5824 23.5824 33.0176 33.0176 35.2103 35.2103 k = 0.5575 0.1227 0.2980 ( 449 PWs) bands (ev): 11.2799 11.2799 13.1639 13.1639 14.5403 14.5403 15.1448 15.1448 17.8066 17.8066 21.2293 21.2293 23.5716 23.5716 32.8703 32.8703 35.2525 35.2525 k = 0.5600 0.1155 0.3021 ( 449 PWs) bands (ev): 11.3369 11.3369 13.1333 13.1333 14.5130 14.5130 15.1421 15.1421 17.7968 17.7968 21.3871 21.3871 23.5629 23.5629 32.7026 32.7026 35.3074 35.3074 k = 0.5625 0.1083 0.3062 ( 451 PWs) bands (ev): 11.3927 11.3927 13.1025 13.1025 14.4766 14.4766 15.1555 15.1555 17.7870 17.7870 21.5433 21.5433 23.5568 23.5568 32.5183 32.5183 35.3671 35.3671 k = 0.5650 0.1010 0.3103 ( 448 PWs) bands (ev): 11.4467 11.4467 13.0719 13.0719 14.4342 14.4342 15.1820 15.1820 17.7774 17.7774 21.6972 21.6972 23.5540 23.5540 32.3208 32.3208 35.4204 35.4204 k = 0.5675 0.0938 0.3144 ( 447 PWs) bands (ev): 11.4981 11.4981 13.0418 13.0418 14.3892 14.3892 15.2186 15.2186 17.7679 17.7679 21.8479 21.8479 23.5553 23.5553 32.1126 32.1126 35.4507 35.4507 k = 0.5700 0.0866 0.3184 ( 449 PWs) bands (ev): 11.5464 11.5464 13.0124 13.0124 14.3443 14.3443 15.2630 15.2630 17.7586 17.7586 21.9945 21.9945 23.5618 23.5618 31.8960 31.8960 35.4409 35.4409 k = 0.5725 0.0794 0.3225 ( 449 PWs) bands (ev): 11.5906 11.5906 12.9838 12.9838 14.3016 14.3016 15.3131 15.3131 17.7497 17.7497 22.1357 22.1357 23.5746 23.5746 31.6727 31.6727 35.3872 35.3872 k = 0.5750 0.0722 0.3266 ( 447 PWs) bands (ev): 11.6302 11.6302 12.9561 12.9561 14.2631 14.2631 15.3679 15.3679 17.7412 17.7412 22.2701 22.2701 23.5952 23.5952 31.4441 31.4441 35.3012 35.3012 k = 0.5775 0.0650 0.3307 ( 447 PWs) bands (ev): 11.6645 11.6645 12.9291 12.9291 14.2300 14.2300 15.4261 15.4261 17.7332 17.7332 22.3961 22.3961 23.6252 23.6252 31.2116 31.2116 35.1958 35.1958 k = 0.5800 0.0577 0.3348 ( 447 PWs) bands (ev): 11.6930 11.6930 12.9027 12.9027 14.2037 14.2037 15.4871 15.4871 17.7259 17.7259 22.5118 22.5118 23.6663 23.6663 30.9761 30.9761 35.0788 35.0788 k = 0.5825 0.0505 0.3388 ( 453 PWs) bands (ev): 11.7154 11.7154 12.8765 12.8765 14.1852 14.1852 15.5502 15.5502 17.7193 17.7193 22.6160 22.6160 23.7197 23.7197 30.7385 30.7385 34.9547 34.9547 k = 0.5850 0.0433 0.3429 ( 453 PWs) bands (ev): 11.7316 11.7316 12.8499 12.8499 14.1753 14.1753 15.6150 15.6150 17.7136 17.7136 22.7077 22.7077 23.7861 23.7861 30.5002 30.5002 34.8260 34.8260 k = 0.5875 0.0361 0.3470 ( 453 PWs) bands (ev): 11.7416 11.7416 12.8225 12.8225 14.1743 14.1743 15.6809 15.6809 17.7089 17.7089 22.7872 22.7872 23.8650 23.8650 30.2620 30.2620 34.6941 34.6941 k = 0.5900 0.0289 0.3511 ( 453 PWs) bands (ev): 11.7457 11.7457 12.7938 12.7938 14.1825 14.1825 15.7474 15.7474 17.7053 17.7053 22.8556 22.8556 23.9549 23.9549 30.0250 30.0250 34.5601 34.5601 k = 0.5925 0.0217 0.3552 ( 453 PWs) bands (ev): 11.7445 11.7445 12.7635 12.7635 14.1998 14.1998 15.8143 15.8143 17.7030 17.7030 22.9149 22.9149 24.0533 24.0533 29.7903 29.7903 34.4246 34.4246 k = 0.5950 0.0144 0.3593 ( 451 PWs) bands (ev): 11.7383 11.7383 12.7314 12.7314 14.2257 14.2257 15.8810 15.8810 17.7020 17.7020 22.9674 22.9674 24.1572 24.1572 29.5592 29.5592 34.2884 34.2884 k = 0.5975 0.0072 0.3633 ( 451 PWs) bands (ev): 11.7280 11.7280 12.6974 12.6974 14.2594 14.2594 15.9472 15.9472 17.7027 17.7027 23.0154 23.0154 24.2632 24.2632 29.3333 29.3333 34.1519 34.1519 k = 0.6000 0.0000 0.3674 ( 451 PWs) bands (ev): 11.7141 11.7141 12.6617 12.6617 14.3002 14.3002 16.0126 16.0126 17.7052 17.7052 23.0609 23.0609 24.3681 24.3681 29.1145 29.1145 34.0156 34.0156 k = 0.6025-0.0072 0.3715 ( 451 PWs) bands (ev): 11.6972 11.6972 12.6244 12.6244 14.3468 14.3468 16.0767 16.0767 17.7095 17.7095 23.1057 23.1057 24.4685 24.4685 28.9048 28.9048 33.8798 33.8798 k = 0.6050-0.0144 0.3756 ( 451 PWs) bands (ev): 11.6779 11.6779 12.5858 12.5858 14.3984 14.3984 16.1391 16.1391 17.7159 17.7159 23.1511 23.1511 24.5608 24.5608 28.7071 28.7071 33.7450 33.7450 k = 0.6075-0.0217 0.3797 ( 449 PWs) bands (ev): 11.6568 11.6568 12.5462 12.5462 14.4538 14.4538 16.1994 16.1994 17.7246 17.7246 23.1983 23.1983 24.6412 24.6412 28.5246 28.5246 33.6117 33.6117 k = 0.6100-0.0289 0.3838 ( 449 PWs) bands (ev): 11.6344 11.6344 12.5059 12.5059 14.5120 14.5120 16.2574 16.2574 17.7356 17.7356 23.2481 23.2481 24.7057 24.7057 28.3609 28.3609 33.4801 33.4801 k = 0.6125-0.0361 0.3878 ( 449 PWs) bands (ev): 11.6110 11.6110 12.4653 12.4653 14.5720 14.5720 16.3127 16.3127 17.7490 17.7490 23.3010 23.3010 24.7502 24.7502 28.2201 28.2201 33.3508 33.3508 k = 0.6150-0.0433 0.3919 ( 449 PWs) bands (ev): 11.5869 11.5869 12.4245 12.4245 14.6330 14.6330 16.3649 16.3649 17.7650 17.7650 23.3575 23.3575 24.7706 24.7706 28.1062 28.1062 33.2240 33.2240 k = 0.6175-0.0505 0.3960 ( 449 PWs) bands (ev): 11.5626 11.5626 12.3839 12.3839 14.6942 14.6942 16.4140 16.4140 17.7835 17.7835 23.4175 23.4175 24.7640 24.7640 28.0227 28.0227 33.1002 33.1002 k = 0.6200-0.0577 0.4001 ( 446 PWs) bands (ev): 11.5383 11.5383 12.3437 12.3437 14.7548 14.7548 16.4595 16.4595 17.8044 17.8044 23.4807 23.4807 24.7293 24.7293 27.9717 27.9717 32.9798 32.9798 k = 0.6225-0.0650 0.4042 ( 440 PWs) bands (ev): 11.5142 11.5142 12.3041 12.3041 14.8141 14.8141 16.5015 16.5015 17.8278 17.8278 23.5456 23.5456 24.6677 24.6677 27.9535 27.9535 32.8633 32.8633 k = 0.6250-0.0722 0.4082 ( 440 PWs) bands (ev): 11.4905 11.4905 12.2651 12.2651 14.8716 14.8716 16.5399 16.5399 17.8532 17.8532 23.6092 23.6092 24.5842 24.5842 27.9664 27.9664 32.7509 32.7509 k = 0.6250-0.0722 0.4082 ( 440 PWs) bands (ev): 11.4905 11.4905 12.2651 12.2651 14.8716 14.8716 16.5399 16.5399 17.8532 17.8532 23.6092 23.6092 24.5842 24.5842 27.9664 27.9664 32.7509 32.7509 k = 0.6207-0.0697 0.4153 ( 440 PWs) bands (ev): 11.4923 11.4923 12.2656 12.2656 14.8678 14.8678 16.5388 16.5388 17.8551 17.8551 23.6120 23.6120 24.5860 24.5860 27.9653 27.9653 32.7391 32.7391 k = 0.6164-0.0672 0.4223 ( 444 PWs) bands (ev): 11.4977 11.4977 12.2672 12.2672 14.8566 14.8566 16.5355 16.5355 17.8608 17.8608 23.6202 23.6202 24.5916 24.5916 27.9620 27.9620 32.7039 32.7039 k = 0.6121-0.0647 0.4294 ( 448 PWs) bands (ev): 11.5067 11.5067 12.2697 12.2697 14.8380 14.8380 16.5298 16.5298 17.8701 17.8701 23.6337 23.6337 24.6009 24.6009 27.9562 27.9562 32.6468 32.6468 k = 0.6078-0.0622 0.4364 ( 448 PWs) bands (ev): 11.5191 11.5191 12.2734 12.2734 14.8124 14.8124 16.5218 16.5218 17.8831 17.8831 23.6526 23.6526 24.6140 24.6140 27.9484 27.9484 32.5695 32.5695 k = 0.6034-0.0597 0.4434 ( 447 PWs) bands (ev): 11.5350 11.5350 12.2782 12.2782 14.7803 14.7803 16.5113 16.5113 17.8995 17.8995 23.6767 23.6767 24.6307 24.6307 27.9381 27.9381 32.4744 32.4744 k = 0.5991-0.0572 0.4505 ( 447 PWs) bands (ev): 11.5542 11.5542 12.2841 12.2841 14.7420 14.7420 16.4982 16.4982 17.9190 17.9190 23.7057 23.7057 24.6511 24.6511 27.9253 27.9253 32.3639 32.3639 k = 0.5948-0.0547 0.4575 ( 447 PWs) bands (ev): 11.5764 11.5764 12.2913 12.2913 14.6982 14.6982 16.4825 16.4825 17.9415 17.9415 23.7395 23.7395 24.6751 24.6751 27.9098 27.9098 32.2408 32.2408 k = 0.5905-0.0523 0.4646 ( 447 PWs) bands (ev): 11.6015 11.6015 12.2999 12.2999 14.6493 14.6493 16.4643 16.4643 17.9665 17.9665 23.7778 23.7778 24.7027 24.7027 27.8915 27.8915 32.1075 32.1075 k = 0.5862-0.0498 0.4716 ( 447 PWs) bands (ev): 11.6293 11.6293 12.3100 12.3100 14.5960 14.5960 16.4435 16.4435 17.9936 17.9936 23.8204 23.8204 24.7337 24.7337 27.8700 27.8700 31.9664 31.9664 k = 0.5819-0.0473 0.4786 ( 447 PWs) bands (ev): 11.6594 11.6594 12.3219 12.3219 14.5387 14.5387 16.4203 16.4203 18.0226 18.0226 23.8671 23.8671 24.7682 24.7682 27.8453 27.8453 31.8198 31.8198 k = 0.5776-0.0448 0.4857 ( 447 PWs) bands (ev): 11.6914 11.6914 12.3356 12.3356 14.4779 14.4779 16.3950 16.3950 18.0529 18.0529 23.9176 23.9176 24.8058 24.8058 27.8169 27.8169 31.6698 31.6698 k = 0.5733-0.0423 0.4927 ( 451 PWs) bands (ev): 11.7249 11.7249 12.3516 12.3516 14.4143 14.4143 16.3678 16.3678 18.0841 18.0841 23.9715 23.9715 24.8465 24.8465 27.7846 27.7846 31.5182 31.5182 k = 0.5690-0.0398 0.4998 ( 451 PWs) bands (ev): 11.7594 11.7594 12.3700 12.3700 14.3481 14.3481 16.3390 16.3390 18.1157 18.1157 24.0287 24.0287 24.8901 24.8901 27.7480 27.7480 31.3671 31.3671 k = 0.5647-0.0373 0.5068 ( 451 PWs) bands (ev): 11.7942 11.7942 12.3914 12.3914 14.2798 14.2798 16.3090 16.3090 18.1475 18.1475 24.0890 24.0890 24.9362 24.9362 27.7067 27.7067 31.2179 31.2179 k = 0.5603-0.0348 0.5138 ( 451 PWs) bands (ev): 11.8289 11.8289 12.4161 12.4161 14.2098 14.2098 16.2781 16.2781 18.1789 18.1789 24.1520 24.1520 24.9846 24.9846 27.6603 27.6603 31.0724 31.0724 k = 0.5560-0.0324 0.5209 ( 451 PWs) bands (ev): 11.8626 11.8626 12.4446 12.4446 14.1385 14.1385 16.2466 16.2466 18.2097 18.2097 24.2175 24.2175 25.0348 25.0348 27.6086 27.6086 30.9320 30.9320 k = 0.5517-0.0299 0.5279 ( 447 PWs) bands (ev): 11.8947 11.8947 12.4771 12.4771 14.0663 14.0663 16.2151 16.2151 18.2394 18.2394 24.2853 24.2853 25.0864 25.0864 27.5513 27.5513 30.7982 30.7982 k = 0.5474-0.0274 0.5349 ( 447 PWs) bands (ev): 11.9247 11.9247 12.5140 12.5140 13.9933 13.9933 16.1839 16.1839 18.2677 18.2677 24.3551 24.3551 25.1387 25.1387 27.4883 27.4883 30.6721 30.6721 k = 0.5431-0.0249 0.5420 ( 452 PWs) bands (ev): 11.9521 11.9521 12.5554 12.5554 13.9200 13.9200 16.1534 16.1534 18.2944 18.2944 24.4266 24.4266 25.1910 25.1910 27.4196 27.4196 30.5549 30.5549 k = 0.5388-0.0224 0.5490 ( 452 PWs) bands (ev): 11.9766 11.9766 12.6012 12.6012 13.8465 13.8465 16.1241 16.1241 18.3193 18.3193 24.4997 24.4997 25.2424 25.2424 27.3457 27.3457 30.4478 30.4478 k = 0.5345-0.0199 0.5561 ( 452 PWs) bands (ev): 11.9981 11.9981 12.6512 12.6512 13.7733 13.7733 16.0962 16.0962 18.3420 18.3420 24.5740 24.5740 25.2917 25.2917 27.2674 27.2674 30.3515 30.3515 k = 0.5302-0.0174 0.5631 ( 452 PWs) bands (ev): 12.0165 12.0165 12.7048 12.7048 13.7006 13.7006 16.0703 16.0703 18.3625 18.3625 24.6490 24.6490 25.3375 25.3375 27.1860 27.1860 30.2666 30.2666 k = 0.5259-0.0149 0.5701 ( 450 PWs) bands (ev): 12.0319 12.0319 12.7615 12.7615 13.6289 13.6289 16.0468 16.0468 18.3805 18.3805 24.7245 24.7245 25.3779 25.3779 27.1038 27.1038 30.1935 30.1935 k = 0.5216-0.0124 0.5772 ( 450 PWs) bands (ev): 12.0445 12.0445 12.8202 12.8202 13.5585 13.5585 16.0259 16.0259 18.3959 18.3959 24.7996 24.7996 25.4107 25.4107 27.0234 27.0234 30.1322 30.1322 k = 0.5172-0.0100 0.5842 ( 450 PWs) bands (ev): 12.0545 12.0545 12.8799 12.8799 13.4904 13.4904 16.0081 16.0081 18.4087 18.4087 24.8733 24.8733 25.4333 25.4333 26.9487 26.9487 30.0828 30.0828 k = 0.5129-0.0075 0.5913 ( 450 PWs) bands (ev): 12.0620 12.0620 12.9387 12.9387 13.4258 13.4258 15.9937 15.9937 18.4187 18.4187 24.9439 24.9439 25.4433 25.4433 26.8840 26.8840 30.0451 30.0451 k = 0.5086-0.0050 0.5983 ( 447 PWs) bands (ev): 12.0672 12.0672 12.9931 12.9931 13.3677 13.3677 15.9831 15.9831 18.4259 18.4259 25.0081 25.0081 25.4398 25.4398 26.8341 26.8341 30.0187 30.0187 k = 0.5043-0.0025 0.6053 ( 444 PWs) bands (ev): 12.0702 12.0702 13.0359 13.0359 13.3230 13.3230 15.9765 15.9765 18.4302 18.4302 25.0584 25.0584 25.4269 25.4269 26.8028 26.8028 30.0033 30.0033 k = 0.5000 0.0000 0.6124 ( 444 PWs) bands (ev): 12.0712 12.0712 13.0534 13.0534 13.3050 13.3050 15.9743 15.9743 18.4316 18.4316 25.0798 25.0798 25.4180 25.4180 26.7922 26.7922 29.9982 29.9982 k = 0.5000 0.0000 0.6124 ( 444 PWs) bands (ev): 12.0712 12.0712 13.0534 13.0534 13.3050 13.3050 15.9743 15.9743 18.4316 18.4316 25.0798 25.0798 25.4180 25.4180 26.7922 26.7922 29.9982 29.9982 k = 0.5000 0.0051 0.6052 ( 444 PWs) bands (ev): 12.0723 12.0723 13.0528 13.0528 13.3044 13.3044 15.9749 15.9749 18.4285 18.4285 25.0366 25.0366 25.4519 25.4519 26.7991 26.7991 30.0083 30.0083 k = 0.5000 0.0101 0.5980 ( 446 PWs) bands (ev): 12.0758 12.0758 13.0506 13.0506 13.3028 13.3028 15.9768 15.9768 18.4193 18.4193 24.9402 24.9402 25.5186 25.5186 26.8219 26.8219 30.0382 30.0382 k = 0.5000 0.0152 0.5909 ( 448 PWs) bands (ev): 12.0815 12.0815 13.0464 13.0464 13.3007 13.3007 15.9798 15.9798 18.4041 18.4041 24.8256 24.8256 25.5787 25.5787 26.8659 26.8659 30.0870 30.0870 k = 0.5000 0.0203 0.5837 ( 450 PWs) bands (ev): 12.0895 12.0895 13.0394 13.0394 13.2992 13.2992 15.9837 15.9837 18.3832 18.3832 24.7065 24.7065 25.6136 25.6136 26.9373 26.9373 30.1533 30.1533 k = 0.5000 0.0253 0.5766 ( 450 PWs) bands (ev): 12.0998 12.0998 13.0287 13.0287 13.2992 13.2992 15.9882 15.9882 18.3568 18.3568 24.5884 24.5884 25.6160 25.6160 27.0392 27.0392 30.2355 30.2355 k = 0.5000 0.0304 0.5694 ( 452 PWs) bands (ev): 12.1122 12.1122 13.0134 13.0134 13.3018 13.3018 15.9930 15.9930 18.3255 18.3255 24.4740 24.4740 25.5856 25.5856 27.1707 27.1707 30.3314 30.3314 k = 0.5000 0.0355 0.5622 ( 452 PWs) bands (ev): 12.1268 12.1268 12.9927 12.9927 13.3080 13.3080 15.9976 15.9976 18.2898 18.2898 24.3648 24.3648 25.5265 25.5265 27.3277 27.3277 30.4395 30.4395 k = 0.5000 0.0405 0.5551 ( 452 PWs) bands (ev): 12.1436 12.1436 12.9666 12.9666 13.3183 13.3183 16.0016 16.0016 18.2503 18.2503 24.2619 24.2619 25.4441 25.4441 27.5051 27.5051 30.5578 30.5578 k = 0.5000 0.0456 0.5479 ( 452 PWs) bands (ev): 12.1623 12.1623 12.9350 12.9350 13.3327 13.3327 16.0044 16.0044 18.2078 18.2078 24.1656 24.1656 25.3432 25.3432 27.6983 27.6983 30.6847 30.6847 k = 0.5000 0.0506 0.5407 ( 452 PWs) bands (ev): 12.1830 12.1830 12.8985 12.8985 13.3511 13.3511 16.0054 16.0054 18.1629 18.1629 24.0764 24.0764 25.2280 25.2280 27.9040 27.9040 30.8189 30.8189 k = 0.5000 0.0557 0.5336 ( 450 PWs) bands (ev): 12.2054 12.2054 12.8576 12.8576 13.3734 13.3734 16.0041 16.0041 18.1167 18.1167 23.9944 23.9944 25.1014 25.1014 28.1195 28.1195 30.9590 30.9590 k = 0.5000 0.0608 0.5264 ( 450 PWs) bands (ev): 12.2295 12.2295 12.8128 12.8128 13.3992 13.3992 15.9998 15.9998 18.0700 18.0700 23.9195 23.9195 24.9659 24.9659 28.3426 28.3426 31.1039 31.1039 k = 0.5000 0.0658 0.5193 ( 450 PWs) bands (ev): 12.2549 12.2549 12.7649 12.7649 13.4285 13.4285 15.9920 15.9920 18.0237 18.0237 23.8516 23.8516 24.8231 24.8231 28.5719 28.5719 31.2526 31.2526 k = 0.5000 0.0709 0.5121 ( 446 PWs) bands (ev): 12.2811 12.2811 12.7148 12.7148 13.4610 13.4610 15.9801 15.9801 17.9787 17.9787 23.7907 23.7907 24.6746 24.6746 28.8063 28.8063 31.4044 31.4044 k = 0.5000 0.0760 0.5049 ( 448 PWs) bands (ev): 12.3072 12.3072 12.6635 12.6635 13.4965 13.4965 15.9636 15.9636 17.9360 17.9360 23.7363 23.7363 24.5213 24.5213 29.0445 29.0445 31.5582 31.5582 k = 0.5000 0.0810 0.4978 ( 448 PWs) bands (ev): 12.3314 12.3314 12.6132 12.6132 13.5349 13.5349 15.9421 15.9421 17.8962 17.8962 23.6883 23.6883 24.3642 24.3642 29.2858 29.2858 31.7134 31.7134 k = 0.5000 0.0861 0.4906 ( 448 PWs) bands (ev): 12.3494 12.3494 12.5685 12.5685 13.5761 13.5761 15.9154 15.9154 17.8601 17.8601 23.6464 23.6464 24.2040 24.2040 29.5295 29.5295 31.8694 31.8694 k = 0.5000 0.0912 0.4835 ( 448 PWs) bands (ev): 12.3515 12.3515 12.5390 12.5390 13.6200 13.6200 15.8834 15.8834 17.8281 17.8281 23.6101 23.6101 24.0413 24.0413 29.7749 29.7749 32.0255 32.0255 k = 0.5000 0.0962 0.4763 ( 452 PWs) bands (ev): 12.3279 12.3279 12.5350 12.5350 13.6666 13.6666 15.8462 15.8462 17.8005 17.8005 23.5789 23.5789 23.8767 23.8767 30.0213 30.0213 32.1811 32.1811 k = 0.5000 0.1013 0.4691 ( 446 PWs) bands (ev): 12.2823 12.2823 12.5526 12.5526 13.7156 13.7156 15.8041 15.8041 17.7776 17.7776 23.5521 23.5521 23.7112 23.7112 30.2681 30.2681 32.3359 32.3359 k = 0.5000 0.1064 0.4620 ( 446 PWs) bands (ev): 12.2250 12.2250 12.5818 12.5818 13.7672 13.7672 15.7574 15.7574 17.7593 17.7593 23.5166 23.5166 23.5576 23.5576 30.5148 30.5148 32.4890 32.4890 k = 0.5000 0.1114 0.4548 ( 446 PWs) bands (ev): 12.1619 12.1619 12.6168 12.6168 13.8210 13.8210 15.7069 15.7069 17.7454 17.7454 23.3682 23.3682 23.5202 23.5202 30.7608 30.7608 32.6398 32.6398 k = 0.5000 0.1165 0.4476 ( 448 PWs) bands (ev): 12.0955 12.0955 12.6551 12.6551 13.8771 13.8771 15.6531 15.6531 17.7356 17.7356 23.1994 23.1994 23.5064 23.5064 31.0053 31.0053 32.7880 32.7880 k = 0.5000 0.1215 0.4405 ( 444 PWs) bands (ev): 12.0271 12.0271 12.6953 12.6953 13.9353 13.9353 15.5970 15.5970 17.7296 17.7296 23.0290 23.0290 23.4973 23.4973 31.2480 31.2480 32.9328 32.9328 k = 0.5000 0.1266 0.4333 ( 444 PWs) bands (ev): 11.9575 11.9575 12.7370 12.7370 13.9954 13.9954 15.5393 15.5393 17.7270 17.7270 22.8578 22.8578 23.4918 23.4918 31.4878 31.4878 33.0736 33.0736 k = 0.5000 0.1317 0.4262 ( 444 PWs) bands (ev): 11.8870 11.8870 12.7795 12.7795 14.0571 14.0571 15.4810 15.4810 17.7273 17.7273 22.6862 22.6862 23.4896 23.4896 31.7240 31.7240 33.2100 33.2100 k = 0.5000 0.1367 0.4190 ( 444 PWs) bands (ev): 11.8161 11.8161 12.8226 12.8226 14.1202 14.1202 15.4231 15.4231 17.7302 17.7302 22.5144 22.5144 23.4903 23.4903 31.9555 31.9555 33.3414 33.3414 k = 0.5000 0.1418 0.4118 ( 450 PWs) bands (ev): 11.7450 11.7450 12.8659 12.8659 14.1841 14.1841 15.3666 15.3666 17.7351 17.7351 22.3424 22.3424 23.4936 23.4936 32.1810 32.1810 33.4676 33.4676 k = 0.5000 0.1469 0.4047 ( 450 PWs) bands (ev): 11.6740 11.6740 12.9093 12.9093 14.2483 14.2483 15.3129 15.3129 17.7418 17.7418 22.1706 22.1706 23.4992 23.4992 32.3988 32.3988 33.5887 33.5887 k = 0.5000 0.1519 0.3975 ( 450 PWs) bands (ev): 11.6034 11.6034 12.9524 12.9524 14.3117 14.3117 15.2634 15.2634 17.7499 17.7499 21.9990 21.9990 23.5068 23.5068 32.6065 32.6065 33.7053 33.7053 k = 0.5000 0.1570 0.3903 ( 450 PWs) bands (ev): 11.5332 11.5332 12.9950 12.9950 14.3729 14.3729 15.2201 15.2201 17.7591 17.7591 21.8276 21.8276 23.5163 23.5163 32.8009 32.8009 33.8190 33.8190 k = 0.5000 0.1621 0.3832 ( 450 PWs) bands (ev): 11.4638 11.4638 13.0368 13.0368 14.4300 14.4300 15.1854 15.1854 17.7691 17.7691 21.6567 21.6567 23.5274 23.5274 32.9777 32.9777 33.9325 33.9325 k = 0.5000 0.1671 0.3760 ( 450 PWs) bands (ev): 11.3954 11.3954 13.0776 13.0776 14.4801 14.4801 15.1625 15.1625 17.7796 17.7796 21.4862 21.4862 23.5398 23.5398 33.1317 33.1317 34.0495 34.0495 k = 0.5000 0.1722 0.3689 ( 452 PWs) bands (ev): 11.3281 11.3281 13.1171 13.1171 14.5200 14.5200 15.1549 15.1549 17.7905 17.7905 21.3164 21.3164 23.5534 23.5534 33.2576 33.2576 34.1744 34.1744 k = 0.5000 0.1773 0.3617 ( 452 PWs) bands (ev): 11.2621 11.2621 13.1551 13.1551 14.5469 14.5469 15.1659 15.1659 17.8015 17.8015 21.1472 21.1472 23.5678 23.5678 33.3522 33.3522 34.3100 34.3100 k = 0.5000 0.1823 0.3545 ( 450 PWs) bands (ev): 11.1977 11.1977 13.1913 13.1913 14.5599 14.5599 15.1966 15.1966 17.8125 17.8125 20.9788 20.9788 23.5831 23.5831 33.4152 33.4152 34.4566 34.4566 k = 0.5000 0.1874 0.3474 ( 452 PWs) bands (ev): 11.1349 11.1349 13.2254 13.2254 14.5606 14.5606 15.2455 15.2455 17.8234 17.8234 20.8113 20.8113 23.5988 23.5988 33.4492 33.4492 34.6119 34.6119 k = 0.5000 0.1925 0.3402 ( 452 PWs) bands (ev): 11.0740 11.0740 13.2573 13.2573 14.5524 14.5524 15.3095 15.3095 17.8339 17.8339 20.6448 20.6448 23.6149 23.6149 33.4590 33.4590 34.7727 34.7727 k = 0.5000 0.1975 0.3330 ( 452 PWs) bands (ev): 11.0151 11.0151 13.2866 13.2866 14.5389 14.5389 15.3852 15.3852 17.8441 17.8441 20.4794 20.4794 23.6312 23.6312 33.4491 33.4491 34.9353 34.9353 k = 0.5000 0.2026 0.3259 ( 450 PWs) bands (ev): 10.9585 10.9585 13.3133 13.3133 14.5227 14.5227 15.4699 15.4699 17.8537 17.8537 20.3152 20.3152 23.6476 23.6476 33.4241 33.4241 35.0970 35.0970 k = 0.5000 0.2076 0.3187 ( 450 PWs) bands (ev): 10.9041 10.9041 13.3371 13.3371 14.5060 14.5060 15.5615 15.5615 17.8626 17.8626 20.1524 20.1524 23.6639 23.6639 33.3876 33.3876 35.2555 35.2555 k = 0.5000 0.2127 0.3116 ( 450 PWs) bands (ev): 10.8524 10.8524 13.3580 13.3580 14.4900 14.4900 15.6587 15.6587 17.8708 17.8708 19.9911 19.9911 23.6798 23.6798 33.3429 33.3429 35.4089 35.4089 k = 0.5000 0.2178 0.3044 ( 450 PWs) bands (ev): 10.8032 10.8032 13.3761 13.3761 14.4756 14.4756 15.7603 15.7603 17.8780 17.8780 19.8315 19.8315 23.6954 23.6954 33.2927 33.2927 35.5559 35.5559 k = 0.5000 0.2228 0.2972 ( 450 PWs) bands (ev): 10.7568 10.7568 13.3913 13.3913 14.4633 14.4633 15.8658 15.8658 17.8842 17.8842 19.6739 19.6739 23.7105 23.7105 33.2391 33.2391 35.6952 35.6952 k = 0.5000 0.2279 0.2901 ( 450 PWs) bands (ev): 10.7134 10.7134 13.4037 13.4037 14.4532 14.4532 15.9746 15.9746 17.8892 17.8892 19.5186 19.5186 23.7249 23.7249 33.1842 33.1842 35.8261 35.8261 k = 0.5000 0.2330 0.2829 ( 450 PWs) bands (ev): 10.6730 10.6730 13.4136 13.4136 14.4453 14.4453 16.0862 16.0862 17.8926 17.8926 19.3659 19.3659 23.7386 23.7386 33.1294 33.1294 35.9478 35.9478 k = 0.5000 0.2380 0.2757 ( 450 PWs) bands (ev): 10.6357 10.6357 13.4213 13.4213 14.4396 14.4396 16.2002 16.2002 17.8941 17.8941 19.2164 19.2164 23.7514 23.7514 33.0760 33.0760 36.0598 36.0598 k = 0.5000 0.2431 0.2686 ( 450 PWs) bands (ev): 10.6017 10.6017 13.4269 13.4269 14.4357 14.4357 16.3162 16.3162 17.8932 17.8932 19.0709 19.0709 23.7633 23.7633 33.0251 33.0251 36.1615 36.1615 k = 0.5000 0.2482 0.2614 ( 450 PWs) bands (ev): 10.5710 10.5710 13.4309 13.4309 14.4334 14.4334 16.4338 16.4338 17.8891 17.8891 18.9303 18.9303 23.7742 23.7742 32.9776 32.9776 36.2528 36.2528 k = 0.5000 0.2532 0.2543 ( 450 PWs) bands (ev): 10.5437 10.5437 13.4335 13.4335 14.4323 14.4323 16.5526 16.5526 17.8807 17.8807 18.7963 18.7963 23.7839 23.7839 32.9342 32.9342 36.3333 36.3333 k = 0.5000 0.2583 0.2471 ( 454 PWs) bands (ev): 10.5199 10.5199 13.4351 13.4351 14.4322 14.4322 16.6718 16.6718 17.8664 17.8664 18.6711 18.6711 23.7925 23.7925 32.8954 32.8954 36.4031 36.4031 k = 0.5000 0.2634 0.2399 ( 454 PWs) bands (ev): 10.4997 10.4997 13.4359 13.4359 14.4326 14.4326 16.7904 16.7904 17.8437 17.8437 18.5580 18.5580 23.7998 23.7998 32.8619 32.8619 36.4621 36.4621 k = 0.5000 0.2684 0.2328 ( 454 PWs) bands (ev): 10.4830 10.4830 13.4362 13.4362 14.4334 14.4334 16.9069 16.9069 17.8102 17.8102 18.4609 18.4609 23.8059 23.8059 32.8340 32.8340 36.5103 36.5103 k = 0.5000 0.2735 0.2256 ( 454 PWs) bands (ev): 10.4701 10.4701 13.4362 13.4362 14.4343 14.4343 17.0185 17.0185 17.7646 17.7646 18.3841 18.3841 23.8107 23.8107 32.8119 32.8119 36.5477 36.5477 k = 0.5000 0.2785 0.2184 ( 454 PWs) bands (ev): 10.4608 10.4608 13.4361 13.4361 14.4351 14.4351 17.1197 17.1197 17.7099 17.7099 18.3299 18.3299 23.8142 23.8142 32.7960 32.7960 36.5744 36.5744 k = 0.5000 0.2836 0.2113 ( 464 PWs) bands (ev): 10.4552 10.4552 13.4360 13.4360 14.4356 14.4356 17.1980 17.1980 17.6584 17.6584 18.2984 18.2984 23.8162 23.8162 32.7864 32.7864 36.5903 36.5903 k = 0.5000 0.2887 0.2041 ( 464 PWs) bands (ev): 10.4533 10.4533 13.4360 13.4360 14.4358 14.4358 17.2298 17.2298 17.6353 17.6353 18.2881 18.2881 23.8169 23.8169 32.7832 32.7832 36.5957 36.5957 k = 0.5000 0.2887 0.2041 ( 464 PWs) bands (ev): 10.4533 10.4533 13.4360 13.4360 14.4358 14.4358 17.2298 17.2298 17.6353 17.6353 18.2881 18.2881 23.8169 23.8169 32.7832 32.7832 36.5957 36.5957 k = 0.4975 0.2872 0.2123 ( 464 PWs) bands (ev): 10.4551 10.4551 13.4360 13.4360 14.4356 14.4356 17.1988 17.1988 17.6579 17.6579 18.2981 18.2981 23.8162 23.8162 32.7863 32.7863 36.5905 36.5905 k = 0.4950 0.2858 0.2205 ( 455 PWs) bands (ev): 10.4606 10.4606 13.4361 13.4361 14.4351 14.4351 17.1220 17.1220 17.7084 17.7084 18.3288 18.3288 23.8142 23.8142 32.7957 32.7957 36.5749 36.5749 k = 0.4925 0.2843 0.2286 ( 453 PWs) bands (ev): 10.4696 10.4696 13.4362 13.4362 14.4343 14.4343 17.0226 17.0226 17.7626 17.7626 18.3816 18.3816 23.8109 23.8109 32.8112 32.8112 36.5489 36.5489 k = 0.4900 0.2829 0.2368 ( 449 PWs) bands (ev): 10.4823 10.4823 13.4362 13.4362 14.4335 14.4335 16.9127 16.9127 17.8082 17.8082 18.4565 18.4565 23.8062 23.8062 32.8327 32.8327 36.5125 36.5125 k = 0.4875 0.2815 0.2449 ( 449 PWs) bands (ev): 10.4985 10.4985 13.4360 13.4360 14.4327 14.4327 16.7979 16.7979 17.8420 17.8420 18.5513 18.5513 23.8003 23.8003 32.8599 32.8599 36.4656 36.4656 k = 0.4850 0.2800 0.2531 ( 449 PWs) bands (ev): 10.5182 10.5182 13.4352 13.4352 14.4322 14.4322 16.6808 16.6808 17.8650 17.8650 18.6620 18.6620 23.7931 23.7931 32.8926 32.8926 36.4084 36.4084 k = 0.4825 0.2786 0.2613 ( 449 PWs) bands (ev): 10.5414 10.5414 13.4338 13.4338 14.4322 14.4322 16.5632 16.5632 17.8799 17.8799 18.7846 18.7846 23.7847 23.7847 32.9303 32.9303 36.3410 36.3410 k = 0.4800 0.2771 0.2694 ( 449 PWs) bands (ev): 10.5680 10.5680 13.4313 13.4313 14.4331 14.4331 16.4459 16.4459 17.8888 17.8888 18.9161 18.9161 23.7752 23.7752 32.9726 32.9726 36.2638 36.2638 k = 0.4775 0.2757 0.2776 ( 449 PWs) bands (ev): 10.5979 10.5979 13.4277 13.4277 14.4352 14.4352 16.3295 16.3295 17.8934 17.8934 19.0540 19.0540 23.7646 23.7646 33.0187 33.0187 36.1772 36.1772 k = 0.4750 0.2742 0.2858 ( 449 PWs) bands (ev): 10.6310 10.6310 13.4225 13.4225 14.4387 14.4387 16.2148 16.2148 17.8949 17.8949 19.1969 19.1969 23.7530 23.7530 33.0678 33.0678 36.0821 36.0821 k = 0.4725 0.2728 0.2939 ( 449 PWs) bands (ev): 10.6673 10.6673 13.4155 13.4155 14.4439 14.4439 16.1019 16.1019 17.8940 17.8940 19.3436 19.3436 23.7406 23.7406 33.1187 33.1187 35.9796 35.9796 k = 0.4700 0.2714 0.3021 ( 449 PWs) bands (ev): 10.7065 10.7065 13.4066 13.4066 14.4511 14.4511 15.9913 15.9913 17.8913 17.8913 19.4934 19.4934 23.7273 23.7273 33.1702 33.1702 35.8712 35.8713 k = 0.4675 0.2699 0.3103 ( 451 PWs) bands (ev): 10.7487 10.7487 13.3953 13.3953 14.4604 14.4604 15.8835 15.8835 17.8872 17.8872 19.6456 19.6456 23.7132 23.7132 33.2201 33.2201 35.7592 35.7592 k = 0.4650 0.2685 0.3184 ( 449 PWs) bands (ev): 10.7935 10.7935 13.3818 13.3818 14.4717 14.4717 15.7788 15.7788 17.8820 17.8820 19.7999 19.7999 23.6987 23.6987 33.2663 33.2663 35.6461 35.6461 k = 0.4625 0.2670 0.3266 ( 449 PWs) bands (ev): 10.8408 10.8408 13.3657 13.3657 14.4850 14.4850 15.6777 15.6777 17.8758 17.8758 19.9558 19.9558 23.6837 23.6837 33.3053 33.3053 35.5355 35.5355 k = 0.4600 0.2656 0.3348 ( 447 PWs) bands (ev): 10.8905 10.8905 13.3473 13.3473 14.4999 14.4999 15.5809 15.5809 17.8688 17.8688 20.1131 20.1131 23.6684 23.6684 33.3332 33.3332 35.4317 35.4317 k = 0.4575 0.2641 0.3429 ( 447 PWs) bands (ev): 10.9423 10.9423 13.3265 13.3265 14.5158 14.5158 15.4892 15.4892 17.8611 17.8611 20.2715 20.2715 23.6530 23.6530 33.3451 33.3451 35.3399 35.3399 k = 0.4550 0.2627 0.3511 ( 447 PWs) bands (ev): 10.9959 10.9959 13.3035 13.3035 14.5317 14.5317 15.4037 15.4037 17.8529 17.8529 20.4307 20.4307 23.6377 23.6377 33.3357 33.3357 35.2655 35.2655 k = 0.4525 0.2613 0.3593 ( 449 PWs) bands (ev): 11.0511 11.0511 13.2785 13.2785 14.5461 14.5461 15.3262 15.3262 17.8442 17.8442 20.5904 20.5904 23.6227 23.6227 33.3001 33.3001 35.2136 35.2136 k = 0.4500 0.2598 0.3674 ( 449 PWs) bands (ev): 11.1075 11.1075 13.2517 13.2517 14.5568 14.5568 15.2588 15.2588 17.8352 17.8352 20.7505 20.7505 23.6083 23.6083 33.2352 33.2352 35.1873 35.1873 k = 0.4475 0.2584 0.3756 ( 449 PWs) bands (ev): 11.1647 11.1647 13.2235 13.2235 14.5612 14.5612 15.2042 15.2042 17.8258 17.8258 20.9105 20.9105 23.5947 23.5947 33.1404 33.1404 35.1871 35.1871 k = 0.4450 0.2569 0.3838 ( 449 PWs) bands (ev): 11.2223 11.2223 13.1941 13.1941 14.5564 14.5564 15.1655 15.1655 17.8163 17.8163 21.0702 21.0702 23.5824 23.5824 33.0176 33.0176 35.2103 35.2103 k = 0.4425 0.2555 0.3919 ( 449 PWs) bands (ev): 11.2799 11.2799 13.1639 13.1639 14.5403 14.5403 15.1448 15.1448 17.8066 17.8066 21.2293 21.2293 23.5716 23.5716 32.8703 32.8703 35.2525 35.2525 k = 0.4400 0.2540 0.4001 ( 449 PWs) bands (ev): 11.3369 11.3369 13.1333 13.1333 14.5130 14.5130 15.1421 15.1421 17.7968 17.7968 21.3871 21.3871 23.5629 23.5629 32.7026 32.7026 35.3074 35.3074 k = 0.4375 0.2526 0.4082 ( 451 PWs) bands (ev): 11.3927 11.3927 13.1025 13.1025 14.4766 14.4766 15.1555 15.1555 17.7870 17.7870 21.5433 21.5433 23.5568 23.5568 32.5183 32.5183 35.3671 35.3671 k = 0.4350 0.2511 0.4164 ( 448 PWs) bands (ev): 11.4467 11.4467 13.0719 13.0719 14.4342 14.4342 15.1820 15.1820 17.7774 17.7774 21.6972 21.6972 23.5540 23.5540 32.3208 32.3208 35.4204 35.4204 k = 0.4325 0.2497 0.4246 ( 447 PWs) bands (ev): 11.4981 11.4981 13.0418 13.0418 14.3892 14.3892 15.2187 15.2187 17.7679 17.7679 21.8479 21.8479 23.5553 23.5553 32.1127 32.1127 35.4507 35.4507 k = 0.4300 0.2483 0.4327 ( 449 PWs) bands (ev): 11.5463 11.5463 13.0124 13.0124 14.3443 14.3443 15.2630 15.2630 17.7586 17.7586 21.9945 21.9945 23.5618 23.5618 31.8960 31.8960 35.4409 35.4409 k = 0.4275 0.2468 0.4409 ( 449 PWs) bands (ev): 11.5906 11.5906 12.9838 12.9838 14.3016 14.3016 15.3131 15.3131 17.7497 17.7497 22.1357 22.1357 23.5746 23.5746 31.6727 31.6727 35.3872 35.3872 k = 0.4250 0.2454 0.4491 ( 447 PWs) bands (ev): 11.6302 11.6302 12.9561 12.9561 14.2631 14.2631 15.3679 15.3679 17.7412 17.7412 22.2701 22.2701 23.5952 23.5952 31.4441 31.4441 35.3012 35.3012 k = 0.4225 0.2439 0.4572 ( 447 PWs) bands (ev): 11.6645 11.6645 12.9291 12.9291 14.2300 14.2300 15.4261 15.4261 17.7332 17.7332 22.3961 22.3961 23.6252 23.6252 31.2116 31.2116 35.1957 35.1957 k = 0.4200 0.2425 0.4654 ( 447 PWs) bands (ev): 11.6930 11.6930 12.9027 12.9027 14.2038 14.2038 15.4871 15.4871 17.7259 17.7259 22.5118 22.5118 23.6663 23.6663 30.9761 30.9761 35.0788 35.0788 k = 0.4175 0.2410 0.4736 ( 453 PWs) bands (ev): 11.7154 11.7154 12.8765 12.8765 14.1852 14.1852 15.5503 15.5503 17.7193 17.7193 22.6160 22.6160 23.7197 23.7197 30.7385 30.7385 34.9547 34.9547 k = 0.4150 0.2396 0.4817 ( 453 PWs) bands (ev): 11.7316 11.7316 12.8499 12.8499 14.1753 14.1753 15.6150 15.6150 17.7136 17.7136 22.7077 22.7077 23.7861 23.7861 30.5002 30.5002 34.8260 34.8260 k = 0.4125 0.2382 0.4899 ( 453 PWs) bands (ev): 11.7416 11.7416 12.8225 12.8225 14.1743 14.1743 15.6809 15.6809 17.7089 17.7089 22.7872 22.7872 23.8650 23.8650 30.2620 30.2620 34.6941 34.6941 k = 0.4100 0.2367 0.4981 ( 453 PWs) bands (ev): 11.7457 11.7457 12.7938 12.7938 14.1825 14.1825 15.7474 15.7474 17.7053 17.7053 22.8556 22.8556 23.9549 23.9549 30.0250 30.0250 34.5601 34.5601 k = 0.4075 0.2353 0.5062 ( 453 PWs) bands (ev): 11.7444 11.7444 12.7635 12.7635 14.1998 14.1998 15.8143 15.8143 17.7029 17.7029 22.9149 22.9149 24.0533 24.0533 29.7903 29.7903 34.4246 34.4246 k = 0.4050 0.2338 0.5144 ( 451 PWs) bands (ev): 11.7383 11.7383 12.7314 12.7314 14.2257 14.2257 15.8810 15.8810 17.7020 17.7020 22.9674 22.9674 24.1572 24.1572 29.5593 29.5593 34.2884 34.2884 k = 0.4025 0.2324 0.5226 ( 451 PWs) bands (ev): 11.7280 11.7280 12.6974 12.6974 14.2594 14.2594 15.9473 15.9473 17.7027 17.7027 23.0154 23.0154 24.2632 24.2632 29.3333 29.3333 34.1519 34.1519 k = 0.4000 0.2309 0.5307 ( 451 PWs) bands (ev): 11.7141 11.7141 12.6617 12.6617 14.3002 14.3002 16.0126 16.0126 17.7052 17.7052 23.0609 23.0609 24.3681 24.3681 29.1145 29.1145 34.0156 34.0156 k = 0.3975 0.2295 0.5389 ( 451 PWs) bands (ev): 11.6972 11.6972 12.6244 12.6244 14.3468 14.3468 16.0767 16.0767 17.7095 17.7095 23.1057 23.1057 24.4685 24.4685 28.9048 28.9048 33.8798 33.8798 k = 0.3950 0.2281 0.5471 ( 451 PWs) bands (ev): 11.6779 11.6779 12.5858 12.5858 14.3984 14.3984 16.1391 16.1391 17.7159 17.7159 23.1511 23.1511 24.5608 24.5608 28.7071 28.7071 33.7450 33.7450 k = 0.3925 0.2266 0.5552 ( 449 PWs) bands (ev): 11.6568 11.6568 12.5462 12.5462 14.4538 14.4538 16.1994 16.1994 17.7246 17.7246 23.1983 23.1983 24.6412 24.6412 28.5246 28.5246 33.6117 33.6117 k = 0.3900 0.2252 0.5634 ( 449 PWs) bands (ev): 11.6344 11.6344 12.5059 12.5059 14.5120 14.5120 16.2574 16.2574 17.7356 17.7356 23.2481 23.2481 24.7057 24.7057 28.3609 28.3609 33.4801 33.4801 k = 0.3875 0.2237 0.5715 ( 449 PWs) bands (ev): 11.6109 11.6109 12.4653 12.4653 14.5720 14.5720 16.3127 16.3127 17.7490 17.7490 23.3010 23.3010 24.7502 24.7502 28.2201 28.2201 33.3508 33.3508 k = 0.3850 0.2223 0.5797 ( 449 PWs) bands (ev): 11.5869 11.5869 12.4245 12.4245 14.6330 14.6330 16.3649 16.3649 17.7650 17.7650 23.3575 23.3575 24.7706 24.7706 28.1062 28.1062 33.2240 33.2240 k = 0.3825 0.2208 0.5879 ( 449 PWs) bands (ev): 11.5626 11.5626 12.3839 12.3839 14.6942 14.6942 16.4140 16.4140 17.7835 17.7835 23.4175 23.4175 24.7640 24.7640 28.0227 28.0227 33.1002 33.1002 k = 0.3800 0.2194 0.5960 ( 446 PWs) bands (ev): 11.5383 11.5383 12.3437 12.3437 14.7548 14.7548 16.4595 16.4595 17.8044 17.8044 23.4807 23.4807 24.7293 24.7293 27.9717 27.9717 32.9798 32.9798 k = 0.3775 0.2179 0.6042 ( 440 PWs) bands (ev): 11.5142 11.5142 12.3041 12.3041 14.8141 14.8141 16.5015 16.5015 17.8278 17.8278 23.5456 23.5456 24.6677 24.6677 27.9535 27.9535 32.8633 32.8633 k = 0.3750 0.2165 0.6124 ( 440 PWs) bands (ev): 11.4905 11.4905 12.2651 12.2651 14.8716 14.8716 16.5399 16.5399 17.8532 17.8532 23.6092 23.6092 24.5842 24.5842 27.9664 27.9664 32.7509 32.7509 k = 0.6250-0.0722 0.4082 ( 440 PWs) bands (ev): 11.4905 11.4905 12.2651 12.2651 14.8716 14.8716 16.5399 16.5399 17.8532 17.8532 23.6092 23.6092 24.5842 24.5842 27.9664 27.9664 32.7509 32.7509 k = 0.6207-0.0796 0.4082 ( 440 PWs) bands (ev): 11.4502 11.4502 12.1985 12.1985 14.9702 14.9702 16.6031 16.6031 17.8983 17.8983 23.6948 23.6948 24.4470 24.4470 28.0146 28.0146 32.5630 32.5630 k = 0.6164-0.0871 0.4082 ( 446 PWs) bands (ev): 11.4104 11.4104 12.1318 12.1318 15.0713 15.0713 16.6665 16.6665 17.9426 17.9426 23.7142 23.7142 24.3774 24.3774 28.0639 28.0639 32.3792 32.3792 k = 0.6121-0.0946 0.4082 ( 446 PWs) bands (ev): 11.3709 11.3709 12.0654 12.0654 15.1748 15.1748 16.7299 16.7299 17.9860 17.9860 23.6433 23.6433 24.3995 24.3995 28.1140 28.1140 32.2001 32.2001 k = 0.6078-0.1020 0.4082 ( 446 PWs) bands (ev): 11.3320 11.3320 11.9995 11.9995 15.2807 15.2807 16.7933 16.7933 18.0285 18.0285 23.5078 23.5078 24.4871 24.4871 28.1647 28.1647 32.0258 32.0258 k = 0.6034-0.1095 0.4082 ( 446 PWs) bands (ev): 11.2936 11.2936 11.9345 11.9345 15.3890 15.3890 16.8563 16.8563 18.0702 18.0702 23.3417 23.3417 24.6060 24.6060 28.2157 28.2157 31.8565 31.8565 k = 0.5991-0.1170 0.4082 ( 442 PWs) bands (ev): 11.2556 11.2556 11.8708 11.8708 15.4995 15.4995 16.9189 16.9189 18.1110 18.1110 23.1623 23.1623 24.7385 24.7385 28.2667 28.2667 31.6927 31.6927 k = 0.5948-0.1244 0.4082 ( 446 PWs) bands (ev): 11.2182 11.2182 11.8087 11.8087 15.6121 15.6121 16.9808 16.9808 18.1509 18.1509 22.9767 22.9767 24.8771 24.8771 28.3173 28.3173 31.5348 31.5348 k = 0.5905-0.1319 0.4082 ( 450 PWs) bands (ev): 11.1814 11.1814 11.7484 11.7484 15.7269 15.7269 17.0419 17.0419 18.1899 18.1899 22.7883 22.7883 25.0179 25.0179 28.3673 28.3673 31.3830 31.3830 k = 0.5862-0.1394 0.4082 ( 450 PWs) bands (ev): 11.1451 11.1451 11.6903 11.6903 15.8437 15.8437 17.1019 17.1019 18.2280 18.2280 22.5988 22.5988 25.1590 25.1590 28.4165 28.4165 31.2380 31.2380 k = 0.5819-0.1468 0.4082 ( 450 PWs) bands (ev): 11.1093 11.1093 11.6346 11.6346 15.9624 15.9624 17.1607 17.1607 18.2653 18.2653 22.4092 22.4092 25.2987 25.2987 28.4645 28.4645 31.1001 31.1001 k = 0.5776-0.1543 0.4082 ( 450 PWs) bands (ev): 11.0742 11.0742 11.5815 11.5815 16.0828 16.0828 17.2181 17.2181 18.3016 18.3016 22.2201 22.2201 25.4362 25.4362 28.5108 28.5108 30.9701 30.9701 k = 0.5733-0.1618 0.4082 ( 452 PWs) bands (ev): 11.0397 11.0397 11.5312 11.5312 16.2049 16.2049 17.2739 17.2739 18.3372 18.3372 22.0318 22.0318 25.5705 25.5705 28.5550 28.5550 30.8483 30.8483 k = 0.5690-0.1692 0.4082 ( 452 PWs) bands (ev): 11.0060 11.0060 11.4838 11.4838 16.3283 16.3283 17.3279 17.3279 18.3719 18.3719 21.8446 21.8446 25.7009 25.7009 28.5965 28.5965 30.7356 30.7356 k = 0.5647-0.1767 0.4082 ( 450 PWs) bands (ev): 10.9731 10.9731 11.4396 11.4396 16.4529 16.4529 17.3801 17.3801 18.4059 18.4059 21.6589 21.6589 25.8266 25.8266 28.6349 28.6349 30.6326 30.6326 k = 0.5603-0.1842 0.4082 ( 450 PWs) bands (ev): 10.9411 10.9411 11.3985 11.3985 16.5783 16.5783 17.4301 17.4301 18.4392 18.4392 21.4749 21.4749 25.9470 25.9470 28.6693 28.6693 30.5399 30.5399 k = 0.5560-0.1916 0.4082 ( 450 PWs) bands (ev): 10.9103 10.9103 11.3607 11.3607 16.7041 16.7041 17.4780 17.4780 18.4719 18.4719 21.2927 21.2927 26.0614 26.0614 28.6992 28.6992 30.4582 30.4582 k = 0.5517-0.1991 0.4082 ( 450 PWs) bands (ev): 10.8806 10.8806 11.3260 11.3260 16.8298 16.8298 17.5238 17.5238 18.5041 18.5042 21.1125 21.1125 26.1694 26.1694 28.7241 28.7241 30.3880 30.3880 k = 0.5474-0.2066 0.4082 ( 450 PWs) bands (ev): 10.8525 10.8525 11.2945 11.2945 16.9546 16.9546 17.5675 17.5675 18.5362 18.5362 20.9347 20.9347 26.2703 26.2703 28.7433 28.7433 30.3295 30.3295 k = 0.5431-0.2140 0.4082 ( 450 PWs) bands (ev): 10.8259 10.8259 11.2661 11.2661 17.0774 17.0774 17.6095 17.6095 18.5682 18.5682 20.7595 20.7595 26.3638 26.3638 28.7569 28.7569 30.2826 30.2826 k = 0.5388-0.2215 0.4082 ( 450 PWs) bands (ev): 10.8012 10.8012 11.2408 11.2408 17.1966 17.1966 17.6503 17.6503 18.6008 18.6008 20.5872 20.5872 26.4494 26.4494 28.7648 28.7648 30.2469 30.2469 k = 0.5345-0.2289 0.4082 ( 450 PWs) bands (ev): 10.7785 10.7785 11.2184 11.2184 17.3099 17.3099 17.6909 17.6909 18.6346 18.6346 20.4183 20.4183 26.5267 26.5267 28.7676 28.7676 30.2214 30.2214 k = 0.5302-0.2364 0.4082 ( 450 PWs) bands (ev): 10.7580 10.7580 11.1988 11.1988 17.4139 17.4139 17.7332 17.7332 18.6704 18.6704 20.2534 20.2534 26.5956 26.5956 28.7662 28.7662 30.2047 30.2047 k = 0.5259-0.2439 0.4082 ( 450 PWs) bands (ev): 10.7399 10.7399 11.1821 11.1821 17.5037 17.5037 17.7798 17.7798 18.7095 18.7095 20.0932 20.0932 26.6557 26.6557 28.7616 28.7616 30.1952 30.1952 k = 0.5216-0.2513 0.4082 ( 448 PWs) bands (ev): 10.7243 10.7243 11.1681 11.1681 17.5747 17.5747 17.8326 17.8326 18.7532 18.7532 19.9389 19.9389 26.7069 26.7069 28.7551 28.7551 30.1912 30.1912 k = 0.5172-0.2588 0.4082 ( 448 PWs) bands (ev): 10.7113 10.7113 11.1567 11.1567 17.6258 17.6258 17.8896 17.8896 18.8028 18.8028 19.7922 19.7922 26.7489 26.7489 28.7478 28.7478 30.1907 30.1907 k = 0.5129-0.2663 0.4082 ( 448 PWs) bands (ev): 10.7011 10.7011 11.1479 11.1479 17.6600 17.6600 17.9440 17.9440 18.8588 18.8588 19.6563 19.6563 26.7817 26.7817 28.7409 28.7409 30.1922 30.1922 k = 0.5086-0.2737 0.4082 ( 448 PWs) bands (ev): 10.6938 10.6938 11.1417 11.1417 17.6814 17.6814 17.9885 17.9885 18.9185 18.9185 19.5370 19.5370 26.8052 26.8052 28.7352 28.7352 30.1944 30.1944 k = 0.5043-0.2812 0.4082 ( 448 PWs) bands (ev): 10.6894 10.6894 11.1380 11.1380 17.6933 17.6933 18.0172 18.0172 18.9717 18.9717 19.4471 19.4471 26.8194 26.8194 28.7316 28.7316 30.1960 30.1960 k = 0.5000-0.2887 0.4082 ( 444 PWs) bands (ev): 10.6879 10.6879 11.1367 11.1367 17.6971 17.6971 18.0271 18.0271 18.9953 18.9953 19.4111 19.4111 26.8242 26.8242 28.7303 28.7303 30.1967 30.1967 Writing output data file Pt.save init_run : 0.66s CPU 0.82s WALL ( 1 calls) electrons : 36.44s CPU 37.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 36.44s CPU 37.93s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 532 calls) cegterg : 33.07s CPU 34.02s WALL ( 651 calls) Called by sum_band: Called by *egterg: h_psi : 13.46s CPU 13.79s WALL ( 9951 calls) s_psi : 0.42s CPU 0.46s WALL ( 9951 calls) g_psi : 0.03s CPU 0.02s WALL ( 8768 calls) cdiaghg : 17.81s CPU 18.54s WALL ( 9300 calls) cegterg:over : 0.99s CPU 1.00s WALL ( 8768 calls) cegterg:upda : 0.70s CPU 0.73s WALL ( 8768 calls) cegterg:last : 0.42s CPU 0.38s WALL ( 1959 calls) cdiaghg:chol : 0.98s CPU 1.02s WALL ( 9300 calls) cdiaghg:inve : 0.17s CPU 0.22s WALL ( 9300 calls) cdiaghg:para : 1.27s CPU 1.38s WALL ( 18600 calls) Called by h_psi: h_psi:vloc : 12.32s CPU 12.60s WALL ( 9951 calls) h_psi:vnl : 1.12s CPU 1.17s WALL ( 9951 calls) add_vuspsi : 0.65s CPU 0.60s WALL ( 9951 calls) General routines calbec : 0.45s CPU 0.54s WALL ( 9951 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.74s CPU 11.89s WALL ( 443140 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.29s WALL ( 1064 calls) Parallel routines fft_scatter : 7.32s CPU 7.44s WALL ( 443163 calls) PWSCF : 0m42.86s CPU 1m 7.79s WALL This run was terminated on: 21: 8:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=