Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:26:26 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: ./CrH2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 16 16 5 259 259 43 Max 17 17 6 263 263 48 Sum 583 583 187 9377 9377 1639 bravais-lattice index = 14 lattice parameter (alat) = 5.1585 a.u. unit-cell volume = 97.0660 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.158547 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 Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) H 1.00 1.00790 H( 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= 536 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 2) = ( 0.0060976 -0.0035204 0.0049786), wk = 0.0018657 k( 3) = ( 0.0121951 -0.0070409 0.0099573), wk = 0.0018657 k( 4) = ( 0.0182927 -0.0105613 0.0149359), wk = 0.0018657 k( 5) = ( 0.0243902 -0.0140817 0.0199145), wk = 0.0018657 k( 6) = ( 0.0304878 -0.0176021 0.0248932), wk = 0.0018657 k( 7) = ( 0.0365854 -0.0211226 0.0298718), wk = 0.0018657 k( 8) = ( 0.0426829 -0.0246430 0.0348505), wk = 0.0018657 k( 9) = ( 0.0487805 -0.0281634 0.0398291), wk = 0.0018657 k( 10) = ( 0.0548780 -0.0316839 0.0448077), wk = 0.0018657 k( 11) = ( 0.0609756 -0.0352043 0.0497864), wk = 0.0018657 k( 12) = ( 0.0670732 -0.0387247 0.0547650), wk = 0.0018657 k( 13) = ( 0.0731707 -0.0422451 0.0597437), wk = 0.0018657 k( 14) = ( 0.0792683 -0.0457656 0.0647223), wk = 0.0018657 k( 15) = ( 0.0853658 -0.0492860 0.0697009), wk = 0.0018657 k( 16) = ( 0.0914634 -0.0528064 0.0746796), wk = 0.0018657 k( 17) = ( 0.0975610 -0.0563269 0.0796582), wk = 0.0018657 k( 18) = ( 0.1036585 -0.0598473 0.0846368), wk = 0.0018657 k( 19) = ( 0.1097561 -0.0633677 0.0896155), wk = 0.0018657 k( 20) = ( 0.1158537 -0.0668881 0.0945941), wk = 0.0018657 k( 21) = ( 0.1219512 -0.0704086 0.0995728), wk = 0.0018657 k( 22) = ( 0.1280488 -0.0739290 0.1045514), wk = 0.0018657 k( 23) = ( 0.1341463 -0.0774494 0.1095300), wk = 0.0018657 k( 24) = ( 0.1402439 -0.0809699 0.1145087), wk = 0.0018657 k( 25) = ( 0.1463415 -0.0844903 0.1194873), wk = 0.0018657 k( 26) = ( 0.1524390 -0.0880107 0.1244659), wk = 0.0018657 k( 27) = ( 0.1585366 -0.0915311 0.1294446), wk = 0.0018657 k( 28) = ( 0.1646342 -0.0950516 0.1344232), wk = 0.0018657 k( 29) = ( 0.1707317 -0.0985720 0.1394019), wk = 0.0018657 k( 30) = ( 0.1768293 -0.1020924 0.1443805), wk = 0.0018657 k( 31) = ( 0.1829268 -0.1056129 0.1493591), wk = 0.0018657 k( 32) = ( 0.1890244 -0.1091333 0.1543378), wk = 0.0018657 k( 33) = ( 0.1951219 -0.1126537 0.1593164), wk = 0.0018657 k( 34) = ( 0.2012195 -0.1161741 0.1642950), wk = 0.0018657 k( 35) = ( 0.2073171 -0.1196946 0.1692737), wk = 0.0018657 k( 36) = ( 0.2134146 -0.1232150 0.1742523), wk = 0.0018657 k( 37) = ( 0.2195122 -0.1267354 0.1792310), wk = 0.0018657 k( 38) = ( 0.2256098 -0.1302559 0.1842096), wk = 0.0018657 k( 39) = ( 0.2317073 -0.1337763 0.1891882), wk = 0.0018657 k( 40) = ( 0.2378049 -0.1372967 0.1941669), wk = 0.0018657 k( 41) = ( 0.2439024 -0.1408171 0.1991455), wk = 0.0018657 k( 42) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0018657 k( 43) = ( 0.2560976 -0.1478580 0.2091028), wk = 0.0018657 k( 44) = ( 0.2621951 -0.1513784 0.2140814), wk = 0.0018657 k( 45) = ( 0.2682927 -0.1548989 0.2190601), wk = 0.0018657 k( 46) = ( 0.2743902 -0.1584193 0.2240387), wk = 0.0018657 k( 47) = ( 0.2804878 -0.1619397 0.2290173), wk = 0.0018657 k( 48) = ( 0.2865854 -0.1654601 0.2339960), wk = 0.0018657 k( 49) = ( 0.2926829 -0.1689806 0.2389746), wk = 0.0018657 k( 50) = ( 0.2987805 -0.1725010 0.2439532), wk = 0.0018657 k( 51) = ( 0.3048781 -0.1760214 0.2489319), wk = 0.0018657 k( 52) = ( 0.3109756 -0.1795419 0.2539105), wk = 0.0018657 k( 53) = ( 0.3170732 -0.1830623 0.2588892), wk = 0.0018657 k( 54) = ( 0.3231707 -0.1865827 0.2638678), wk = 0.0018657 k( 55) = ( 0.3292683 -0.1901031 0.2688464), wk = 0.0018657 k( 56) = ( 0.3353659 -0.1936236 0.2738251), wk = 0.0018657 k( 57) = ( 0.3414634 -0.1971440 0.2788037), wk = 0.0018657 k( 58) = ( 0.3475610 -0.2006644 0.2837824), wk = 0.0018657 k( 59) = ( 0.3536585 -0.2041849 0.2887610), wk = 0.0018657 k( 60) = ( 0.3597561 -0.2077053 0.2937396), wk = 0.0018657 k( 61) = ( 0.3658537 -0.2112257 0.2987183), wk = 0.0018657 k( 62) = ( 0.3719512 -0.2147461 0.3036969), wk = 0.0018657 k( 63) = ( 0.3780488 -0.2182666 0.3086755), wk = 0.0018657 k( 64) = ( 0.3841463 -0.2217870 0.3136542), wk = 0.0018657 k( 65) = ( 0.3902439 -0.2253074 0.3186328), wk = 0.0018657 k( 66) = ( 0.3963415 -0.2288278 0.3236114), wk = 0.0018657 k( 67) = ( 0.4024390 -0.2323483 0.3285901), wk = 0.0018657 k( 68) = ( 0.4085366 -0.2358687 0.3335687), wk = 0.0018657 k( 69) = ( 0.4146341 -0.2393891 0.3385474), wk = 0.0018657 k( 70) = ( 0.4207317 -0.2429096 0.3435260), wk = 0.0018657 k( 71) = ( 0.4268293 -0.2464300 0.3485046), wk = 0.0018657 k( 72) = ( 0.4329268 -0.2499504 0.3534833), wk = 0.0018657 k( 73) = ( 0.4390244 -0.2534708 0.3584619), wk = 0.0018657 k( 74) = ( 0.4451219 -0.2569913 0.3634406), wk = 0.0018657 k( 75) = ( 0.4512195 -0.2605117 0.3684192), wk = 0.0018657 k( 76) = ( 0.4573171 -0.2640321 0.3733978), wk = 0.0018657 k( 77) = ( 0.4634146 -0.2675526 0.3783765), wk = 0.0018657 k( 78) = ( 0.4695122 -0.2710730 0.3833551), wk = 0.0018657 k( 79) = ( 0.4756098 -0.2745934 0.3883337), wk = 0.0018657 k( 80) = ( 0.4817073 -0.2781139 0.3933124), wk = 0.0018657 k( 81) = ( 0.4878049 -0.2816343 0.3982910), wk = 0.0018657 k( 82) = ( 0.4939024 -0.2851547 0.4032697), wk = 0.0018657 k( 83) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0018657 k( 84) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0018657 k( 85) = ( 0.5000000 -0.2816343 0.4132269), wk = 0.0018657 k( 86) = ( 0.5000000 -0.2745934 0.4182056), wk = 0.0018657 k( 87) = ( 0.5000000 -0.2675526 0.4231842), wk = 0.0018657 k( 88) = ( 0.5000000 -0.2605117 0.4281628), wk = 0.0018657 k( 89) = ( 0.5000000 -0.2534709 0.4331415), wk = 0.0018657 k( 90) = ( 0.5000000 -0.2464300 0.4381201), wk = 0.0018657 k( 91) = ( 0.5000000 -0.2393891 0.4430988), wk = 0.0018657 k( 92) = ( 0.5000000 -0.2323483 0.4480774), wk = 0.0018657 k( 93) = ( 0.5000000 -0.2253074 0.4530560), wk = 0.0018657 k( 94) = ( 0.5000000 -0.2182666 0.4580347), wk = 0.0018657 k( 95) = ( 0.5000000 -0.2112257 0.4630133), wk = 0.0018657 k( 96) = ( 0.5000000 -0.2041849 0.4679919), wk = 0.0018657 k( 97) = ( 0.5000000 -0.1971440 0.4729706), wk = 0.0018657 k( 98) = ( 0.5000000 -0.1901031 0.4779492), wk = 0.0018657 k( 99) = ( 0.5000000 -0.1830623 0.4829279), wk = 0.0018657 k( 100) = ( 0.5000000 -0.1760214 0.4879065), wk = 0.0018657 k( 101) = ( 0.5000000 -0.1689806 0.4928851), wk = 0.0018657 k( 102) = ( 0.5000000 -0.1619397 0.4978638), wk = 0.0018657 k( 103) = ( 0.5000000 -0.1548989 0.5028424), wk = 0.0018657 k( 104) = ( 0.5000000 -0.1478580 0.5078210), wk = 0.0018657 k( 105) = ( 0.5000000 -0.1408171 0.5127997), wk = 0.0018657 k( 106) = ( 0.5000000 -0.1337763 0.5177783), wk = 0.0018657 k( 107) = ( 0.5000000 -0.1267354 0.5227570), wk = 0.0018657 k( 108) = ( 0.5000000 -0.1196946 0.5277356), wk = 0.0018657 k( 109) = ( 0.5000000 -0.1126537 0.5327142), wk = 0.0018657 k( 110) = ( 0.5000000 -0.1056128 0.5376929), wk = 0.0018657 k( 111) = ( 0.5000000 -0.0985720 0.5426715), wk = 0.0018657 k( 112) = ( 0.5000000 -0.0915311 0.5476501), wk = 0.0018657 k( 113) = ( 0.5000000 -0.0844903 0.5526288), wk = 0.0018657 k( 114) = ( 0.5000000 -0.0774494 0.5576074), wk = 0.0018657 k( 115) = ( 0.5000000 -0.0704086 0.5625861), wk = 0.0018657 k( 116) = ( 0.5000000 -0.0633677 0.5675647), wk = 0.0018657 k( 117) = ( 0.5000000 -0.0563269 0.5725433), wk = 0.0018657 k( 118) = ( 0.5000000 -0.0492860 0.5775220), wk = 0.0018657 k( 119) = ( 0.5000000 -0.0422451 0.5825006), wk = 0.0018657 k( 120) = ( 0.5000000 -0.0352043 0.5874793), wk = 0.0018657 k( 121) = ( 0.5000000 -0.0281634 0.5924579), wk = 0.0018657 k( 122) = ( 0.5000000 -0.0211226 0.5974365), wk = 0.0018657 k( 123) = ( 0.5000000 -0.0140817 0.6024152), wk = 0.0018657 k( 124) = ( 0.5000000 -0.0070409 0.6073938), wk = 0.0018657 k( 125) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0018657 k( 126) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0018657 k( 127) = ( 0.4956897 0.0074657 0.6123724), wk = 0.0018657 k( 128) = ( 0.4913793 0.0149315 0.6123724), wk = 0.0018657 k( 129) = ( 0.4870690 0.0223972 0.6123724), wk = 0.0018657 k( 130) = ( 0.4827586 0.0298629 0.6123724), wk = 0.0018657 k( 131) = ( 0.4784483 0.0373287 0.6123724), wk = 0.0018657 k( 132) = ( 0.4741379 0.0447944 0.6123724), wk = 0.0018657 k( 133) = ( 0.4698276 0.0522601 0.6123724), wk = 0.0018657 k( 134) = ( 0.4655172 0.0597259 0.6123724), wk = 0.0018657 k( 135) = ( 0.4612069 0.0671916 0.6123724), wk = 0.0018657 k( 136) = ( 0.4568966 0.0746574 0.6123724), wk = 0.0018657 k( 137) = ( 0.4525862 0.0821231 0.6123724), wk = 0.0018657 k( 138) = ( 0.4482759 0.0895888 0.6123724), wk = 0.0018657 k( 139) = ( 0.4439655 0.0970546 0.6123724), wk = 0.0018657 k( 140) = ( 0.4396552 0.1045203 0.6123724), wk = 0.0018657 k( 141) = ( 0.4353448 0.1119860 0.6123724), wk = 0.0018657 k( 142) = ( 0.4310345 0.1194518 0.6123724), wk = 0.0018657 k( 143) = ( 0.4267241 0.1269175 0.6123724), wk = 0.0018657 k( 144) = ( 0.4224138 0.1343833 0.6123724), wk = 0.0018657 k( 145) = ( 0.4181034 0.1418490 0.6123724), wk = 0.0018657 k( 146) = ( 0.4137931 0.1493147 0.6123724), wk = 0.0018657 k( 147) = ( 0.4094828 0.1567805 0.6123724), wk = 0.0018657 k( 148) = ( 0.4051724 0.1642462 0.6123724), wk = 0.0018657 k( 149) = ( 0.4008621 0.1717119 0.6123724), wk = 0.0018657 k( 150) = ( 0.3965517 0.1791777 0.6123724), wk = 0.0018657 k( 151) = ( 0.3922414 0.1866434 0.6123724), wk = 0.0018657 k( 152) = ( 0.3879310 0.1941091 0.6123724), wk = 0.0018657 k( 153) = ( 0.3836207 0.2015749 0.6123724), wk = 0.0018657 k( 154) = ( 0.3793103 0.2090406 0.6123724), wk = 0.0018657 k( 155) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0018657 k( 156) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0018657 k( 157) = ( 0.3706897 0.2140178 0.6053337), wk = 0.0018657 k( 158) = ( 0.3663793 0.2115292 0.5982949), wk = 0.0018657 k( 159) = ( 0.3620690 0.2090406 0.5912561), wk = 0.0018657 k( 160) = ( 0.3577586 0.2065520 0.5842174), wk = 0.0018657 k( 161) = ( 0.3534483 0.2040635 0.5771786), wk = 0.0018657 k( 162) = ( 0.3491379 0.2015749 0.5701399), wk = 0.0018657 k( 163) = ( 0.3448276 0.1990863 0.5631011), wk = 0.0018657 k( 164) = ( 0.3405172 0.1965977 0.5560623), wk = 0.0018657 k( 165) = ( 0.3362069 0.1941091 0.5490236), wk = 0.0018657 k( 166) = ( 0.3318966 0.1916206 0.5419848), wk = 0.0018657 k( 167) = ( 0.3275862 0.1891320 0.5349460), wk = 0.0018657 k( 168) = ( 0.3232759 0.1866434 0.5279073), wk = 0.0018657 k( 169) = ( 0.3189655 0.1841548 0.5208685), wk = 0.0018657 k( 170) = ( 0.3146552 0.1816662 0.5138297), wk = 0.0018657 k( 171) = ( 0.3103448 0.1791777 0.5067910), wk = 0.0018657 k( 172) = ( 0.3060345 0.1766891 0.4997522), wk = 0.0018657 k( 173) = ( 0.3017241 0.1742005 0.4927135), wk = 0.0018657 k( 174) = ( 0.2974138 0.1717119 0.4856747), wk = 0.0018657 k( 175) = ( 0.2931034 0.1692234 0.4786359), wk = 0.0018657 k( 176) = ( 0.2887931 0.1667348 0.4715972), wk = 0.0018657 k( 177) = ( 0.2844828 0.1642462 0.4645584), wk = 0.0018657 k( 178) = ( 0.2801724 0.1617576 0.4575196), wk = 0.0018657 k( 179) = ( 0.2758621 0.1592690 0.4504809), wk = 0.0018657 k( 180) = ( 0.2715517 0.1567805 0.4434421), wk = 0.0018657 k( 181) = ( 0.2672414 0.1542919 0.4364033), wk = 0.0018657 k( 182) = ( 0.2629310 0.1518033 0.4293646), wk = 0.0018657 k( 183) = ( 0.2586207 0.1493147 0.4223258), wk = 0.0018657 k( 184) = ( 0.2543103 0.1468261 0.4152871), wk = 0.0018657 k( 185) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0018657 k( 186) = ( 0.2456897 0.1418490 0.4012095), wk = 0.0018657 k( 187) = ( 0.2413793 0.1393604 0.3941708), wk = 0.0018657 k( 188) = ( 0.2370690 0.1368718 0.3871320), wk = 0.0018657 k( 189) = ( 0.2327586 0.1343833 0.3800932), wk = 0.0018657 k( 190) = ( 0.2284483 0.1318947 0.3730545), wk = 0.0018657 k( 191) = ( 0.2241379 0.1294061 0.3660157), wk = 0.0018657 k( 192) = ( 0.2198276 0.1269175 0.3589769), wk = 0.0018657 k( 193) = ( 0.2155172 0.1244289 0.3519382), wk = 0.0018657 k( 194) = ( 0.2112069 0.1219404 0.3448994), wk = 0.0018657 k( 195) = ( 0.2068966 0.1194518 0.3378607), wk = 0.0018657 k( 196) = ( 0.2025862 0.1169632 0.3308219), wk = 0.0018657 k( 197) = ( 0.1982759 0.1144746 0.3237831), wk = 0.0018657 k( 198) = ( 0.1939655 0.1119860 0.3167444), wk = 0.0018657 k( 199) = ( 0.1896552 0.1094975 0.3097056), wk = 0.0018657 k( 200) = ( 0.1853448 0.1070089 0.3026668), wk = 0.0018657 k( 201) = ( 0.1810345 0.1045203 0.2956281), wk = 0.0018657 k( 202) = ( 0.1767241 0.1020317 0.2885893), wk = 0.0018657 k( 203) = ( 0.1724138 0.0995431 0.2815506), wk = 0.0018657 k( 204) = ( 0.1681034 0.0970546 0.2745118), wk = 0.0018657 k( 205) = ( 0.1637931 0.0945660 0.2674730), wk = 0.0018657 k( 206) = ( 0.1594828 0.0920774 0.2604343), wk = 0.0018657 k( 207) = ( 0.1551724 0.0895888 0.2533955), wk = 0.0018657 k( 208) = ( 0.1508621 0.0871003 0.2463567), wk = 0.0018657 k( 209) = ( 0.1465517 0.0846117 0.2393180), wk = 0.0018657 k( 210) = ( 0.1422414 0.0821231 0.2322792), wk = 0.0018657 k( 211) = ( 0.1379310 0.0796345 0.2252404), wk = 0.0018657 k( 212) = ( 0.1336207 0.0771459 0.2182017), wk = 0.0018657 k( 213) = ( 0.1293103 0.0746574 0.2111629), wk = 0.0018657 k( 214) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0018657 k( 215) = ( 0.1206897 0.0696802 0.1970854), wk = 0.0018657 k( 216) = ( 0.1163793 0.0671916 0.1900466), wk = 0.0018657 k( 217) = ( 0.1120690 0.0647030 0.1830078), wk = 0.0018657 k( 218) = ( 0.1077586 0.0622145 0.1759691), wk = 0.0018657 k( 219) = ( 0.1034483 0.0597259 0.1689303), wk = 0.0018657 k( 220) = ( 0.0991379 0.0572373 0.1618916), wk = 0.0018657 k( 221) = ( 0.0948276 0.0547487 0.1548528), wk = 0.0018657 k( 222) = ( 0.0905172 0.0522602 0.1478140), wk = 0.0018657 k( 223) = ( 0.0862069 0.0497716 0.1407753), wk = 0.0018657 k( 224) = ( 0.0818965 0.0472830 0.1337365), wk = 0.0018657 k( 225) = ( 0.0775862 0.0447944 0.1266977), wk = 0.0018657 k( 226) = ( 0.0732759 0.0423058 0.1196590), wk = 0.0018657 k( 227) = ( 0.0689655 0.0398173 0.1126202), wk = 0.0018657 k( 228) = ( 0.0646552 0.0373287 0.1055815), wk = 0.0018657 k( 229) = ( 0.0603448 0.0348401 0.0985427), wk = 0.0018657 k( 230) = ( 0.0560345 0.0323515 0.0915039), wk = 0.0018657 k( 231) = ( 0.0517241 0.0298629 0.0844652), wk = 0.0018657 k( 232) = ( 0.0474138 0.0273744 0.0774264), wk = 0.0018657 k( 233) = ( 0.0431035 0.0248858 0.0703876), wk = 0.0018657 k( 234) = ( 0.0387931 0.0223972 0.0633489), wk = 0.0018657 k( 235) = ( 0.0344828 0.0199086 0.0563101), wk = 0.0018657 k( 236) = ( 0.0301724 0.0174200 0.0492714), wk = 0.0018657 k( 237) = ( 0.0258621 0.0149315 0.0422326), wk = 0.0018657 k( 238) = ( 0.0215517 0.0124429 0.0351938), wk = 0.0018657 k( 239) = ( 0.0172414 0.0099543 0.0281551), wk = 0.0018657 k( 240) = ( 0.0129310 0.0074657 0.0211163), wk = 0.0018657 k( 241) = ( 0.0086207 0.0049772 0.0140775), wk = 0.0018657 k( 242) = ( 0.0043103 0.0024886 0.0070388), wk = 0.0018657 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 245) = ( 0.0070422 0.0040658 0.0028750), wk = 0.0018657 k( 246) = ( 0.0140845 0.0081317 0.0057500), wk = 0.0018657 k( 247) = ( 0.0211268 0.0121975 0.0086250), wk = 0.0018657 k( 248) = ( 0.0281690 0.0162634 0.0115000), wk = 0.0018657 k( 249) = ( 0.0352113 0.0203292 0.0143749), wk = 0.0018657 k( 250) = ( 0.0422535 0.0243951 0.0172499), wk = 0.0018657 k( 251) = ( 0.0492958 0.0284609 0.0201249), wk = 0.0018657 k( 252) = ( 0.0563380 0.0325268 0.0229999), wk = 0.0018657 k( 253) = ( 0.0633803 0.0365926 0.0258749), wk = 0.0018657 k( 254) = ( 0.0704225 0.0406585 0.0287499), wk = 0.0018657 k( 255) = ( 0.0774648 0.0447243 0.0316249), wk = 0.0018657 k( 256) = ( 0.0845070 0.0487902 0.0344999), wk = 0.0018657 k( 257) = ( 0.0915493 0.0528560 0.0373748), wk = 0.0018657 k( 258) = ( 0.0985916 0.0569219 0.0402498), wk = 0.0018657 k( 259) = ( 0.1056338 0.0609877 0.0431248), wk = 0.0018657 k( 260) = ( 0.1126761 0.0650536 0.0459998), wk = 0.0018657 k( 261) = ( 0.1197183 0.0691194 0.0488748), wk = 0.0018657 k( 262) = ( 0.1267606 0.0731852 0.0517498), wk = 0.0018657 k( 263) = ( 0.1338028 0.0772511 0.0546248), wk = 0.0018657 k( 264) = ( 0.1408451 0.0813169 0.0574998), wk = 0.0018657 k( 265) = ( 0.1478873 0.0853828 0.0603747), wk = 0.0018657 k( 266) = ( 0.1549296 0.0894486 0.0632497), wk = 0.0018657 k( 267) = ( 0.1619718 0.0935145 0.0661247), wk = 0.0018657 k( 268) = ( 0.1690141 0.0975803 0.0689997), wk = 0.0018657 k( 269) = ( 0.1760563 0.1016462 0.0718747), wk = 0.0018657 k( 270) = ( 0.1830986 0.1057120 0.0747497), wk = 0.0018657 k( 271) = ( 0.1901409 0.1097779 0.0776247), wk = 0.0018657 k( 272) = ( 0.1971831 0.1138437 0.0804997), wk = 0.0018657 k( 273) = ( 0.2042253 0.1179096 0.0833747), wk = 0.0018657 k( 274) = ( 0.2112676 0.1219754 0.0862496), wk = 0.0018657 k( 275) = ( 0.2183099 0.1260413 0.0891246), wk = 0.0018657 k( 276) = ( 0.2253521 0.1301071 0.0919996), wk = 0.0018657 k( 277) = ( 0.2323944 0.1341730 0.0948746), wk = 0.0018657 k( 278) = ( 0.2394366 0.1382388 0.0977496), wk = 0.0018657 k( 279) = ( 0.2464789 0.1423046 0.1006246), wk = 0.0018657 k( 280) = ( 0.2535211 0.1463705 0.1034996), wk = 0.0018657 k( 281) = ( 0.2605634 0.1504363 0.1063746), wk = 0.0018657 k( 282) = ( 0.2676056 0.1545022 0.1092495), wk = 0.0018657 k( 283) = ( 0.2746479 0.1585680 0.1121245), wk = 0.0018657 k( 284) = ( 0.2816901 0.1626339 0.1149995), wk = 0.0018657 k( 285) = ( 0.2887324 0.1666997 0.1178745), wk = 0.0018657 k( 286) = ( 0.2957746 0.1707656 0.1207495), wk = 0.0018657 k( 287) = ( 0.3028169 0.1748314 0.1236245), wk = 0.0018657 k( 288) = ( 0.3098592 0.1788973 0.1264995), wk = 0.0018657 k( 289) = ( 0.3169014 0.1829631 0.1293745), wk = 0.0018657 k( 290) = ( 0.3239437 0.1870290 0.1322494), wk = 0.0018657 k( 291) = ( 0.3309859 0.1910948 0.1351244), wk = 0.0018657 k( 292) = ( 0.3380282 0.1951607 0.1379994), wk = 0.0018657 k( 293) = ( 0.3450704 0.1992265 0.1408744), wk = 0.0018657 k( 294) = ( 0.3521127 0.2032924 0.1437494), wk = 0.0018657 k( 295) = ( 0.3591549 0.2073582 0.1466244), wk = 0.0018657 k( 296) = ( 0.3661972 0.2114240 0.1494994), wk = 0.0018657 k( 297) = ( 0.3732394 0.2154899 0.1523744), wk = 0.0018657 k( 298) = ( 0.3802817 0.2195557 0.1552493), wk = 0.0018657 k( 299) = ( 0.3873239 0.2236216 0.1581243), wk = 0.0018657 k( 300) = ( 0.3943662 0.2276874 0.1609993), wk = 0.0018657 k( 301) = ( 0.4014085 0.2317533 0.1638743), wk = 0.0018657 k( 302) = ( 0.4084507 0.2358191 0.1667493), wk = 0.0018657 k( 303) = ( 0.4154930 0.2398850 0.1696243), wk = 0.0018657 k( 304) = ( 0.4225352 0.2439508 0.1724993), wk = 0.0018657 k( 305) = ( 0.4295775 0.2480167 0.1753743), wk = 0.0018657 k( 306) = ( 0.4366197 0.2520825 0.1782493), wk = 0.0018657 k( 307) = ( 0.4436620 0.2561484 0.1811242), wk = 0.0018657 k( 308) = ( 0.4507042 0.2602142 0.1839992), wk = 0.0018657 k( 309) = ( 0.4577465 0.2642801 0.1868742), wk = 0.0018657 k( 310) = ( 0.4647887 0.2683459 0.1897492), wk = 0.0018657 k( 311) = ( 0.4718310 0.2724117 0.1926242), wk = 0.0018657 k( 312) = ( 0.4788732 0.2764776 0.1954992), wk = 0.0018657 k( 313) = ( 0.4859155 0.2805434 0.1983742), wk = 0.0018657 k( 314) = ( 0.4929577 0.2846093 0.2012492), wk = 0.0018657 k( 315) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018657 k( 316) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018657 k( 317) = ( 0.5025000 0.2814583 0.2082066), wk = 0.0018657 k( 318) = ( 0.5050000 0.2742414 0.2122891), wk = 0.0018657 k( 319) = ( 0.5075000 0.2670245 0.2163716), wk = 0.0018657 k( 320) = ( 0.5100000 0.2598076 0.2204541), wk = 0.0018657 k( 321) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0018657 k( 322) = ( 0.5150000 0.2453739 0.2286190), wk = 0.0018657 k( 323) = ( 0.5175000 0.2381570 0.2327015), wk = 0.0018657 k( 324) = ( 0.5200000 0.2309401 0.2367840), wk = 0.0018657 k( 325) = ( 0.5225000 0.2237232 0.2408665), wk = 0.0018657 k( 326) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0018657 k( 327) = ( 0.5275000 0.2092895 0.2490315), wk = 0.0018657 k( 328) = ( 0.5300000 0.2020726 0.2531139), wk = 0.0018657 k( 329) = ( 0.5325000 0.1948557 0.2571964), wk = 0.0018657 k( 330) = ( 0.5350000 0.1876388 0.2612789), wk = 0.0018657 k( 331) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0018657 k( 332) = ( 0.5400000 0.1732051 0.2694439), wk = 0.0018657 k( 333) = ( 0.5425000 0.1659882 0.2735264), wk = 0.0018657 k( 334) = ( 0.5450000 0.1587713 0.2776088), wk = 0.0018657 k( 335) = ( 0.5475000 0.1515544 0.2816913), wk = 0.0018657 k( 336) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0018657 k( 337) = ( 0.5525000 0.1371207 0.2898563), wk = 0.0018657 k( 338) = ( 0.5550000 0.1299038 0.2939388), wk = 0.0018657 k( 339) = ( 0.5575000 0.1226869 0.2980213), wk = 0.0018657 k( 340) = ( 0.5600000 0.1154701 0.3021037), wk = 0.0018657 k( 341) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0018657 k( 342) = ( 0.5650000 0.1010363 0.3102687), wk = 0.0018657 k( 343) = ( 0.5675000 0.0938194 0.3143512), wk = 0.0018657 k( 344) = ( 0.5700000 0.0866025 0.3184337), wk = 0.0018657 k( 345) = ( 0.5725000 0.0793857 0.3225161), wk = 0.0018657 k( 346) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0018657 k( 347) = ( 0.5775000 0.0649519 0.3306811), wk = 0.0018657 k( 348) = ( 0.5800000 0.0577350 0.3347636), wk = 0.0018657 k( 349) = ( 0.5825000 0.0505181 0.3388461), wk = 0.0018657 k( 350) = ( 0.5850000 0.0433013 0.3429286), wk = 0.0018657 k( 351) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0018657 k( 352) = ( 0.5900000 0.0288675 0.3510935), wk = 0.0018657 k( 353) = ( 0.5925000 0.0216506 0.3551760), wk = 0.0018657 k( 354) = ( 0.5950000 0.0144338 0.3592585), wk = 0.0018657 k( 355) = ( 0.5975000 0.0072169 0.3633410), wk = 0.0018657 k( 356) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0018657 k( 357) = ( 0.6025000 -0.0072169 0.3715059), wk = 0.0018657 k( 358) = ( 0.6050000 -0.0144338 0.3755884), wk = 0.0018657 k( 359) = ( 0.6075000 -0.0216506 0.3796709), wk = 0.0018657 k( 360) = ( 0.6100000 -0.0288675 0.3837534), wk = 0.0018657 k( 361) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0018657 k( 362) = ( 0.6150000 -0.0433013 0.3919184), wk = 0.0018657 k( 363) = ( 0.6175000 -0.0505181 0.3960008), wk = 0.0018657 k( 364) = ( 0.6200000 -0.0577350 0.4000833), wk = 0.0018657 k( 365) = ( 0.6225000 -0.0649519 0.4041658), wk = 0.0018657 k( 366) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0018657 k( 367) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0018657 k( 368) = ( 0.6206897 -0.0696802 0.4152870), wk = 0.0018657 k( 369) = ( 0.6163793 -0.0671916 0.4223258), wk = 0.0018657 k( 370) = ( 0.6120690 -0.0647030 0.4293646), wk = 0.0018657 k( 371) = ( 0.6077586 -0.0622145 0.4364033), wk = 0.0018657 k( 372) = ( 0.6034483 -0.0597259 0.4434421), wk = 0.0018657 k( 373) = ( 0.5991379 -0.0572373 0.4504809), wk = 0.0018657 k( 374) = ( 0.5948276 -0.0547487 0.4575196), wk = 0.0018657 k( 375) = ( 0.5905172 -0.0522602 0.4645584), wk = 0.0018657 k( 376) = ( 0.5862069 -0.0497716 0.4715972), wk = 0.0018657 k( 377) = ( 0.5818965 -0.0472830 0.4786359), wk = 0.0018657 k( 378) = ( 0.5775862 -0.0447944 0.4856747), wk = 0.0018657 k( 379) = ( 0.5732759 -0.0423058 0.4927135), wk = 0.0018657 k( 380) = ( 0.5689655 -0.0398173 0.4997522), wk = 0.0018657 k( 381) = ( 0.5646552 -0.0373287 0.5067910), wk = 0.0018657 k( 382) = ( 0.5603448 -0.0348401 0.5138297), wk = 0.0018657 k( 383) = ( 0.5560345 -0.0323515 0.5208685), wk = 0.0018657 k( 384) = ( 0.5517241 -0.0298629 0.5279073), wk = 0.0018657 k( 385) = ( 0.5474138 -0.0273744 0.5349460), wk = 0.0018657 k( 386) = ( 0.5431035 -0.0248858 0.5419848), wk = 0.0018657 k( 387) = ( 0.5387931 -0.0223972 0.5490236), wk = 0.0018657 k( 388) = ( 0.5344828 -0.0199086 0.5560623), wk = 0.0018657 k( 389) = ( 0.5301724 -0.0174200 0.5631011), wk = 0.0018657 k( 390) = ( 0.5258621 -0.0149315 0.5701399), wk = 0.0018657 k( 391) = ( 0.5215517 -0.0124429 0.5771786), wk = 0.0018657 k( 392) = ( 0.5172414 -0.0099543 0.5842174), wk = 0.0018657 k( 393) = ( 0.5129310 -0.0074657 0.5912562), wk = 0.0018657 k( 394) = ( 0.5086207 -0.0049772 0.5982949), wk = 0.0018657 k( 395) = ( 0.5043103 -0.0024886 0.6053337), wk = 0.0018657 k( 396) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0018657 k( 397) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0018657 k( 398) = ( 0.5000000 0.0049772 0.6053337), wk = 0.0018657 k( 399) = ( 0.5000000 0.0099543 0.5982949), wk = 0.0018657 k( 400) = ( 0.5000000 0.0149315 0.5912562), wk = 0.0018657 k( 401) = ( 0.5000000 0.0199086 0.5842174), wk = 0.0018657 k( 402) = ( 0.5000000 0.0248858 0.5771786), wk = 0.0018657 k( 403) = ( 0.5000000 0.0298629 0.5701399), wk = 0.0018657 k( 404) = ( 0.5000000 0.0348401 0.5631011), wk = 0.0018657 k( 405) = ( 0.5000000 0.0398173 0.5560623), wk = 0.0018657 k( 406) = ( 0.5000000 0.0447944 0.5490236), wk = 0.0018657 k( 407) = ( 0.5000000 0.0497716 0.5419848), wk = 0.0018657 k( 408) = ( 0.5000000 0.0547487 0.5349460), wk = 0.0018657 k( 409) = ( 0.5000000 0.0597259 0.5279073), wk = 0.0018657 k( 410) = ( 0.5000000 0.0647030 0.5208685), wk = 0.0018657 k( 411) = ( 0.5000000 0.0696802 0.5138297), wk = 0.0018657 k( 412) = ( 0.5000000 0.0746574 0.5067910), wk = 0.0018657 k( 413) = ( 0.5000000 0.0796345 0.4997522), wk = 0.0018657 k( 414) = ( 0.5000000 0.0846117 0.4927135), wk = 0.0018657 k( 415) = ( 0.5000000 0.0895888 0.4856747), wk = 0.0018657 k( 416) = ( 0.5000000 0.0945660 0.4786359), wk = 0.0018657 k( 417) = ( 0.5000000 0.0995432 0.4715972), wk = 0.0018657 k( 418) = ( 0.5000000 0.1045203 0.4645584), wk = 0.0018657 k( 419) = ( 0.5000000 0.1094975 0.4575196), wk = 0.0018657 k( 420) = ( 0.5000000 0.1144746 0.4504809), wk = 0.0018657 k( 421) = ( 0.5000000 0.1194518 0.4434421), wk = 0.0018657 k( 422) = ( 0.5000000 0.1244289 0.4364033), wk = 0.0018657 k( 423) = ( 0.5000000 0.1294061 0.4293646), wk = 0.0018657 k( 424) = ( 0.5000000 0.1343833 0.4223258), wk = 0.0018657 k( 425) = ( 0.5000000 0.1393604 0.4152870), wk = 0.0018657 k( 426) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0018657 k( 427) = ( 0.5000000 0.1493147 0.4012095), wk = 0.0018657 k( 428) = ( 0.5000000 0.1542919 0.3941708), wk = 0.0018657 k( 429) = ( 0.5000000 0.1592690 0.3871320), wk = 0.0018657 k( 430) = ( 0.5000000 0.1642462 0.3800932), wk = 0.0018657 k( 431) = ( 0.5000000 0.1692233 0.3730545), wk = 0.0018657 k( 432) = ( 0.5000000 0.1742005 0.3660157), wk = 0.0018657 k( 433) = ( 0.5000000 0.1791777 0.3589770), wk = 0.0018657 k( 434) = ( 0.5000000 0.1841548 0.3519382), wk = 0.0018657 k( 435) = ( 0.5000000 0.1891320 0.3448994), wk = 0.0018657 k( 436) = ( 0.5000000 0.1941091 0.3378607), wk = 0.0018657 k( 437) = ( 0.5000000 0.1990863 0.3308219), wk = 0.0018657 k( 438) = ( 0.5000000 0.2040635 0.3237831), wk = 0.0018657 k( 439) = ( 0.5000000 0.2090406 0.3167444), wk = 0.0018657 k( 440) = ( 0.5000000 0.2140178 0.3097056), wk = 0.0018657 k( 441) = ( 0.5000000 0.2189949 0.3026668), wk = 0.0018657 k( 442) = ( 0.5000000 0.2239721 0.2956281), wk = 0.0018657 k( 443) = ( 0.5000000 0.2289492 0.2885893), wk = 0.0018657 k( 444) = ( 0.5000000 0.2339264 0.2815505), wk = 0.0018657 k( 445) = ( 0.5000000 0.2389036 0.2745118), wk = 0.0018657 k( 446) = ( 0.5000000 0.2438807 0.2674730), wk = 0.0018657 k( 447) = ( 0.5000000 0.2488579 0.2604343), wk = 0.0018657 k( 448) = ( 0.5000000 0.2538350 0.2533955), wk = 0.0018657 k( 449) = ( 0.5000000 0.2588122 0.2463567), wk = 0.0018657 k( 450) = ( 0.5000000 0.2637894 0.2393180), wk = 0.0018657 k( 451) = ( 0.5000000 0.2687665 0.2322792), wk = 0.0018657 k( 452) = ( 0.5000000 0.2737437 0.2252404), wk = 0.0018657 k( 453) = ( 0.5000000 0.2787208 0.2182017), wk = 0.0018657 k( 454) = ( 0.5000000 0.2836980 0.2111629), wk = 0.0018657 k( 455) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018657 k( 456) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0018657 k( 457) = ( 0.4975000 0.2872318 0.2122891), wk = 0.0018657 k( 458) = ( 0.4950000 0.2857884 0.2204541), wk = 0.0018657 k( 459) = ( 0.4925000 0.2843450 0.2286190), wk = 0.0018657 k( 460) = ( 0.4900000 0.2829016 0.2367840), wk = 0.0018657 k( 461) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0018657 k( 462) = ( 0.4850000 0.2800149 0.2531139), wk = 0.0018657 k( 463) = ( 0.4825000 0.2785715 0.2612789), wk = 0.0018657 k( 464) = ( 0.4800000 0.2771281 0.2694439), wk = 0.0018657 k( 465) = ( 0.4775000 0.2756848 0.2776088), wk = 0.0018657 k( 466) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0018657 k( 467) = ( 0.4725000 0.2727980 0.2939388), wk = 0.0018657 k( 468) = ( 0.4700000 0.2713546 0.3021037), wk = 0.0018657 k( 469) = ( 0.4675000 0.2699113 0.3102687), wk = 0.0018657 k( 470) = ( 0.4650000 0.2684679 0.3184337), wk = 0.0018657 k( 471) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0018657 k( 472) = ( 0.4600000 0.2655811 0.3347636), wk = 0.0018657 k( 473) = ( 0.4575000 0.2641377 0.3429286), wk = 0.0018657 k( 474) = ( 0.4550000 0.2626944 0.3510935), wk = 0.0018657 k( 475) = ( 0.4525000 0.2612510 0.3592585), wk = 0.0018657 k( 476) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0018657 k( 477) = ( 0.4475000 0.2583642 0.3755884), wk = 0.0018657 k( 478) = ( 0.4450000 0.2569209 0.3837534), wk = 0.0018657 k( 479) = ( 0.4425000 0.2554775 0.3919184), wk = 0.0018657 k( 480) = ( 0.4400000 0.2540341 0.4000833), wk = 0.0018657 k( 481) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0018657 k( 482) = ( 0.4350000 0.2511474 0.4164133), wk = 0.0018657 k( 483) = ( 0.4325000 0.2497040 0.4245782), wk = 0.0018657 k( 484) = ( 0.4300000 0.2482606 0.4327432), wk = 0.0018657 k( 485) = ( 0.4275000 0.2468172 0.4409082), wk = 0.0018657 k( 486) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0018657 k( 487) = ( 0.4225000 0.2439305 0.4572381), wk = 0.0018657 k( 488) = ( 0.4200000 0.2424871 0.4654031), wk = 0.0018657 k( 489) = ( 0.4175000 0.2410437 0.4735680), wk = 0.0018657 k( 490) = ( 0.4150000 0.2396004 0.4817330), wk = 0.0018657 k( 491) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0018657 k( 492) = ( 0.4100000 0.2367136 0.4980629), wk = 0.0018657 k( 493) = ( 0.4075000 0.2352702 0.5062279), wk = 0.0018657 k( 494) = ( 0.4050000 0.2338269 0.5143928), wk = 0.0018657 k( 495) = ( 0.4025000 0.2323835 0.5225578), wk = 0.0018657 k( 496) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0018657 k( 497) = ( 0.3975000 0.2294967 0.5388877), wk = 0.0018657 k( 498) = ( 0.3950000 0.2280534 0.5470527), wk = 0.0018657 k( 499) = ( 0.3925000 0.2266100 0.5552177), wk = 0.0018657 k( 500) = ( 0.3900000 0.2251666 0.5633826), wk = 0.0018657 k( 501) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0018657 k( 502) = ( 0.3850000 0.2222799 0.5797126), wk = 0.0018657 k( 503) = ( 0.3825000 0.2208365 0.5878775), wk = 0.0018657 k( 504) = ( 0.3800000 0.2193931 0.5960425), wk = 0.0018657 k( 505) = ( 0.3775000 0.2179497 0.6042075), wk = 0.0018657 k( 506) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0018657 k( 507) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0018657 k( 508) = ( 0.6206897 -0.0796345 0.4082483), wk = 0.0018657 k( 509) = ( 0.6163793 -0.0871003 0.4082483), wk = 0.0018657 k( 510) = ( 0.6120690 -0.0945660 0.4082483), wk = 0.0018657 k( 511) = ( 0.6077586 -0.1020317 0.4082483), wk = 0.0018657 k( 512) = ( 0.6034483 -0.1094975 0.4082483), wk = 0.0018657 k( 513) = ( 0.5991379 -0.1169632 0.4082483), wk = 0.0018657 k( 514) = ( 0.5948276 -0.1244289 0.4082483), wk = 0.0018657 k( 515) = ( 0.5905172 -0.1318947 0.4082483), wk = 0.0018657 k( 516) = ( 0.5862069 -0.1393604 0.4082483), wk = 0.0018657 k( 517) = ( 0.5818965 -0.1468261 0.4082483), wk = 0.0018657 k( 518) = ( 0.5775862 -0.1542919 0.4082483), wk = 0.0018657 k( 519) = ( 0.5732759 -0.1617576 0.4082483), wk = 0.0018657 k( 520) = ( 0.5689655 -0.1692234 0.4082483), wk = 0.0018657 k( 521) = ( 0.5646552 -0.1766891 0.4082483), wk = 0.0018657 k( 522) = ( 0.5603448 -0.1841548 0.4082483), wk = 0.0018657 k( 523) = ( 0.5560345 -0.1916206 0.4082483), wk = 0.0018657 k( 524) = ( 0.5517241 -0.1990863 0.4082483), wk = 0.0018657 k( 525) = ( 0.5474138 -0.2065520 0.4082483), wk = 0.0018657 k( 526) = ( 0.5431035 -0.2140178 0.4082483), wk = 0.0018657 k( 527) = ( 0.5387931 -0.2214835 0.4082483), wk = 0.0018657 k( 528) = ( 0.5344828 -0.2289492 0.4082483), wk = 0.0018657 k( 529) = ( 0.5301724 -0.2364150 0.4082483), wk = 0.0018657 k( 530) = ( 0.5258621 -0.2438807 0.4082483), wk = 0.0018657 k( 531) = ( 0.5215517 -0.2513464 0.4082483), wk = 0.0018657 k( 532) = ( 0.5172414 -0.2588122 0.4082483), wk = 0.0018657 k( 533) = ( 0.5129310 -0.2662779 0.4082483), wk = 0.0018657 k( 534) = ( 0.5086207 -0.2737437 0.4082483), wk = 0.0018657 k( 535) = ( 0.5043103 -0.2812094 0.4082483), wk = 0.0018657 k( 536) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0018657 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 2) = ( 0.0060976 -0.0000000 0.0060976), wk = 0.0018657 k( 3) = ( 0.0121951 -0.0000000 0.0121951), wk = 0.0018657 k( 4) = ( 0.0182927 -0.0000000 0.0182927), wk = 0.0018657 k( 5) = ( 0.0243902 -0.0000000 0.0243902), wk = 0.0018657 k( 6) = ( 0.0304878 -0.0000000 0.0304878), wk = 0.0018657 k( 7) = ( 0.0365854 -0.0000000 0.0365854), wk = 0.0018657 k( 8) = ( 0.0426829 -0.0000000 0.0426829), wk = 0.0018657 k( 9) = ( 0.0487805 0.0000000 0.0487805), wk = 0.0018657 k( 10) = ( 0.0548780 0.0000000 0.0548780), wk = 0.0018657 k( 11) = ( 0.0609756 -0.0000000 0.0609756), wk = 0.0018657 k( 12) = ( 0.0670732 0.0000000 0.0670732), wk = 0.0018657 k( 13) = ( 0.0731707 -0.0000000 0.0731707), wk = 0.0018657 k( 14) = ( 0.0792683 -0.0000000 0.0792683), wk = 0.0018657 k( 15) = ( 0.0853658 -0.0000000 0.0853659), wk = 0.0018657 k( 16) = ( 0.0914634 -0.0000000 0.0914634), wk = 0.0018657 k( 17) = ( 0.0975610 0.0000000 0.0975610), wk = 0.0018657 k( 18) = ( 0.1036585 0.0000000 0.1036585), wk = 0.0018657 k( 19) = ( 0.1097561 0.0000000 0.1097561), wk = 0.0018657 k( 20) = ( 0.1158537 -0.0000000 0.1158537), wk = 0.0018657 k( 21) = ( 0.1219512 -0.0000000 0.1219512), wk = 0.0018657 k( 22) = ( 0.1280488 0.0000000 0.1280488), wk = 0.0018657 k( 23) = ( 0.1341463 0.0000000 0.1341463), wk = 0.0018657 k( 24) = ( 0.1402439 0.0000000 0.1402439), wk = 0.0018657 k( 25) = ( 0.1463415 -0.0000000 0.1463415), wk = 0.0018657 k( 26) = ( 0.1524390 -0.0000000 0.1524390), wk = 0.0018657 k( 27) = ( 0.1585366 -0.0000000 0.1585366), wk = 0.0018657 k( 28) = ( 0.1646342 -0.0000000 0.1646342), wk = 0.0018657 k( 29) = ( 0.1707317 -0.0000000 0.1707317), wk = 0.0018657 k( 30) = ( 0.1768293 -0.0000000 0.1768293), wk = 0.0018657 k( 31) = ( 0.1829268 -0.0000000 0.1829268), wk = 0.0018657 k( 32) = ( 0.1890244 0.0000000 0.1890244), wk = 0.0018657 k( 33) = ( 0.1951219 0.0000000 0.1951220), wk = 0.0018657 k( 34) = ( 0.2012195 0.0000000 0.2012195), wk = 0.0018657 k( 35) = ( 0.2073171 0.0000000 0.2073171), wk = 0.0018657 k( 36) = ( 0.2134146 0.0000000 0.2134146), wk = 0.0018657 k( 37) = ( 0.2195122 0.0000000 0.2195122), wk = 0.0018657 k( 38) = ( 0.2256098 -0.0000000 0.2256098), wk = 0.0018657 k( 39) = ( 0.2317073 -0.0000000 0.2317073), wk = 0.0018657 k( 40) = ( 0.2378049 -0.0000000 0.2378049), wk = 0.0018657 k( 41) = ( 0.2439024 -0.0000000 0.2439024), wk = 0.0018657 k( 42) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0018657 k( 43) = ( 0.2560976 0.0000000 0.2560976), wk = 0.0018657 k( 44) = ( 0.2621951 0.0000000 0.2621951), wk = 0.0018657 k( 45) = ( 0.2682927 0.0000000 0.2682927), wk = 0.0018657 k( 46) = ( 0.2743902 0.0000000 0.2743902), wk = 0.0018657 k( 47) = ( 0.2804878 0.0000000 0.2804878), wk = 0.0018657 k( 48) = ( 0.2865854 0.0000000 0.2865854), wk = 0.0018657 k( 49) = ( 0.2926829 0.0000000 0.2926829), wk = 0.0018657 k( 50) = ( 0.2987805 0.0000000 0.2987805), wk = 0.0018657 k( 51) = ( 0.3048781 0.0000000 0.3048781), wk = 0.0018657 k( 52) = ( 0.3109756 0.0000000 0.3109756), wk = 0.0018657 k( 53) = ( 0.3170732 0.0000000 0.3170732), wk = 0.0018657 k( 54) = ( 0.3231707 0.0000000 0.3231707), wk = 0.0018657 k( 55) = ( 0.3292683 -0.0000000 0.3292683), wk = 0.0018657 k( 56) = ( 0.3353659 -0.0000000 0.3353659), wk = 0.0018657 k( 57) = ( 0.3414634 -0.0000000 0.3414634), wk = 0.0018657 k( 58) = ( 0.3475610 -0.0000000 0.3475610), wk = 0.0018657 k( 59) = ( 0.3536585 -0.0000000 0.3536585), wk = 0.0018657 k( 60) = ( 0.3597561 -0.0000000 0.3597561), wk = 0.0018657 k( 61) = ( 0.3658537 -0.0000000 0.3658537), wk = 0.0018657 k( 62) = ( 0.3719512 -0.0000000 0.3719512), wk = 0.0018657 k( 63) = ( 0.3780488 0.0000000 0.3780488), wk = 0.0018657 k( 64) = ( 0.3841463 0.0000000 0.3841463), wk = 0.0018657 k( 65) = ( 0.3902439 0.0000000 0.3902439), wk = 0.0018657 k( 66) = ( 0.3963415 0.0000000 0.3963415), wk = 0.0018657 k( 67) = ( 0.4024390 0.0000000 0.4024390), wk = 0.0018657 k( 68) = ( 0.4085366 -0.0000000 0.4085366), wk = 0.0018657 k( 69) = ( 0.4146341 -0.0000000 0.4146341), wk = 0.0018657 k( 70) = ( 0.4207317 -0.0000000 0.4207317), wk = 0.0018657 k( 71) = ( 0.4268293 -0.0000000 0.4268293), wk = 0.0018657 k( 72) = ( 0.4329268 -0.0000000 0.4329268), wk = 0.0018657 k( 73) = ( 0.4390244 -0.0000000 0.4390244), wk = 0.0018657 k( 74) = ( 0.4451219 0.0000000 0.4451220), wk = 0.0018657 k( 75) = ( 0.4512195 -0.0000000 0.4512195), wk = 0.0018657 k( 76) = ( 0.4573171 0.0000000 0.4573171), wk = 0.0018657 k( 77) = ( 0.4634146 -0.0000000 0.4634146), wk = 0.0018657 k( 78) = ( 0.4695122 -0.0000000 0.4695122), wk = 0.0018657 k( 79) = ( 0.4756098 -0.0000000 0.4756098), wk = 0.0018657 k( 80) = ( 0.4817073 -0.0000000 0.4817073), wk = 0.0018657 k( 81) = ( 0.4878049 -0.0000000 0.4878049), wk = 0.0018657 k( 82) = ( 0.4939024 -0.0000000 0.4939024), wk = 0.0018657 k( 83) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018657 k( 84) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018657 k( 85) = ( 0.5000000 0.0060976 0.5060976), wk = 0.0018657 k( 86) = ( 0.5000000 0.0121951 0.5121951), wk = 0.0018657 k( 87) = ( 0.5000000 0.0182927 0.5182927), wk = 0.0018657 k( 88) = ( 0.5000000 0.0243902 0.5243902), wk = 0.0018657 k( 89) = ( 0.5000000 0.0304878 0.5304878), wk = 0.0018657 k( 90) = ( 0.5000000 0.0365854 0.5365854), wk = 0.0018657 k( 91) = ( 0.5000000 0.0426829 0.5426829), wk = 0.0018657 k( 92) = ( 0.5000000 0.0487805 0.5487805), wk = 0.0018657 k( 93) = ( 0.5000000 0.0548780 0.5548781), wk = 0.0018657 k( 94) = ( 0.5000000 0.0609756 0.5609756), wk = 0.0018657 k( 95) = ( 0.5000000 0.0670732 0.5670732), wk = 0.0018657 k( 96) = ( 0.5000000 0.0731707 0.5731707), wk = 0.0018657 k( 97) = ( 0.5000000 0.0792683 0.5792683), wk = 0.0018657 k( 98) = ( 0.5000000 0.0853658 0.5853658), wk = 0.0018657 k( 99) = ( 0.5000000 0.0914634 0.5914634), wk = 0.0018657 k( 100) = ( 0.5000000 0.0975610 0.5975610), wk = 0.0018657 k( 101) = ( 0.5000000 0.1036585 0.6036585), wk = 0.0018657 k( 102) = ( 0.5000000 0.1097561 0.6097561), wk = 0.0018657 k( 103) = ( 0.5000000 0.1158537 0.6158537), wk = 0.0018657 k( 104) = ( 0.5000000 0.1219512 0.6219512), wk = 0.0018657 k( 105) = ( 0.5000000 0.1280488 0.6280488), wk = 0.0018657 k( 106) = ( 0.5000000 0.1341463 0.6341463), wk = 0.0018657 k( 107) = ( 0.5000000 0.1402439 0.6402439), wk = 0.0018657 k( 108) = ( 0.5000000 0.1463415 0.6463415), wk = 0.0018657 k( 109) = ( 0.5000000 0.1524390 0.6524390), wk = 0.0018657 k( 110) = ( 0.5000000 0.1585366 0.6585366), wk = 0.0018657 k( 111) = ( 0.5000000 0.1646342 0.6646342), wk = 0.0018657 k( 112) = ( 0.5000000 0.1707317 0.6707317), wk = 0.0018657 k( 113) = ( 0.5000000 0.1768293 0.6768293), wk = 0.0018657 k( 114) = ( 0.5000000 0.1829268 0.6829268), wk = 0.0018657 k( 115) = ( 0.5000000 0.1890244 0.6890244), wk = 0.0018657 k( 116) = ( 0.5000000 0.1951219 0.6951219), wk = 0.0018657 k( 117) = ( 0.5000000 0.2012195 0.7012195), wk = 0.0018657 k( 118) = ( 0.5000000 0.2073171 0.7073171), wk = 0.0018657 k( 119) = ( 0.5000000 0.2134146 0.7134146), wk = 0.0018657 k( 120) = ( 0.5000000 0.2195122 0.7195122), wk = 0.0018657 k( 121) = ( 0.5000000 0.2256098 0.7256098), wk = 0.0018657 k( 122) = ( 0.5000000 0.2317073 0.7317073), wk = 0.0018657 k( 123) = ( 0.5000000 0.2378049 0.7378049), wk = 0.0018657 k( 124) = ( 0.5000000 0.2439024 0.7439024), wk = 0.0018657 k( 125) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018657 k( 126) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018657 k( 127) = ( 0.4956897 0.2543103 0.7500000), wk = 0.0018657 k( 128) = ( 0.4913793 0.2586207 0.7500000), wk = 0.0018657 k( 129) = ( 0.4870690 0.2629310 0.7500000), wk = 0.0018657 k( 130) = ( 0.4827586 0.2672414 0.7500000), wk = 0.0018657 k( 131) = ( 0.4784483 0.2715517 0.7500000), wk = 0.0018657 k( 132) = ( 0.4741379 0.2758621 0.7500000), wk = 0.0018657 k( 133) = ( 0.4698276 0.2801724 0.7500000), wk = 0.0018657 k( 134) = ( 0.4655172 0.2844828 0.7500000), wk = 0.0018657 k( 135) = ( 0.4612069 0.2887931 0.7500000), wk = 0.0018657 k( 136) = ( 0.4568966 0.2931035 0.7500000), wk = 0.0018657 k( 137) = ( 0.4525862 0.2974138 0.7500000), wk = 0.0018657 k( 138) = ( 0.4482759 0.3017241 0.7500000), wk = 0.0018657 k( 139) = ( 0.4439655 0.3060345 0.7500000), wk = 0.0018657 k( 140) = ( 0.4396552 0.3103448 0.7500000), wk = 0.0018657 k( 141) = ( 0.4353448 0.3146552 0.7500000), wk = 0.0018657 k( 142) = ( 0.4310345 0.3189655 0.7500000), wk = 0.0018657 k( 143) = ( 0.4267241 0.3232759 0.7500000), wk = 0.0018657 k( 144) = ( 0.4224138 0.3275862 0.7500000), wk = 0.0018657 k( 145) = ( 0.4181034 0.3318966 0.7500000), wk = 0.0018657 k( 146) = ( 0.4137931 0.3362069 0.7500000), wk = 0.0018657 k( 147) = ( 0.4094828 0.3405172 0.7500000), wk = 0.0018657 k( 148) = ( 0.4051724 0.3448276 0.7500000), wk = 0.0018657 k( 149) = ( 0.4008621 0.3491379 0.7500000), wk = 0.0018657 k( 150) = ( 0.3965517 0.3534483 0.7500000), wk = 0.0018657 k( 151) = ( 0.3922414 0.3577586 0.7500000), wk = 0.0018657 k( 152) = ( 0.3879310 0.3620690 0.7500000), wk = 0.0018657 k( 153) = ( 0.3836207 0.3663793 0.7500000), wk = 0.0018657 k( 154) = ( 0.3793103 0.3706897 0.7500000), wk = 0.0018657 k( 155) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0018657 k( 156) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0018657 k( 157) = ( 0.3706897 0.3706897 0.7413793), wk = 0.0018657 k( 158) = ( 0.3663793 0.3663793 0.7327586), wk = 0.0018657 k( 159) = ( 0.3620690 0.3620690 0.7241379), wk = 0.0018657 k( 160) = ( 0.3577586 0.3577586 0.7155172), wk = 0.0018657 k( 161) = ( 0.3534483 0.3534483 0.7068965), wk = 0.0018657 k( 162) = ( 0.3491379 0.3491379 0.6982759), wk = 0.0018657 k( 163) = ( 0.3448276 0.3448276 0.6896552), wk = 0.0018657 k( 164) = ( 0.3405172 0.3405172 0.6810345), wk = 0.0018657 k( 165) = ( 0.3362069 0.3362069 0.6724138), wk = 0.0018657 k( 166) = ( 0.3318966 0.3318966 0.6637931), wk = 0.0018657 k( 167) = ( 0.3275862 0.3275862 0.6551724), wk = 0.0018657 k( 168) = ( 0.3232759 0.3232759 0.6465517), wk = 0.0018657 k( 169) = ( 0.3189655 0.3189655 0.6379310), wk = 0.0018657 k( 170) = ( 0.3146552 0.3146552 0.6293103), wk = 0.0018657 k( 171) = ( 0.3103448 0.3103448 0.6206897), wk = 0.0018657 k( 172) = ( 0.3060345 0.3060345 0.6120690), wk = 0.0018657 k( 173) = ( 0.3017241 0.3017241 0.6034483), wk = 0.0018657 k( 174) = ( 0.2974138 0.2974138 0.5948276), wk = 0.0018657 k( 175) = ( 0.2931034 0.2931035 0.5862069), wk = 0.0018657 k( 176) = ( 0.2887931 0.2887931 0.5775862), wk = 0.0018657 k( 177) = ( 0.2844828 0.2844828 0.5689655), wk = 0.0018657 k( 178) = ( 0.2801724 0.2801724 0.5603448), wk = 0.0018657 k( 179) = ( 0.2758621 0.2758621 0.5517241), wk = 0.0018657 k( 180) = ( 0.2715517 0.2715517 0.5431035), wk = 0.0018657 k( 181) = ( 0.2672414 0.2672414 0.5344828), wk = 0.0018657 k( 182) = ( 0.2629310 0.2629310 0.5258621), wk = 0.0018657 k( 183) = ( 0.2586207 0.2586207 0.5172414), wk = 0.0018657 k( 184) = ( 0.2543103 0.2543103 0.5086207), wk = 0.0018657 k( 185) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0018657 k( 186) = ( 0.2456897 0.2456897 0.4913793), wk = 0.0018657 k( 187) = ( 0.2413793 0.2413793 0.4827586), wk = 0.0018657 k( 188) = ( 0.2370690 0.2370690 0.4741379), wk = 0.0018657 k( 189) = ( 0.2327586 0.2327586 0.4655172), wk = 0.0018657 k( 190) = ( 0.2284483 0.2284483 0.4568966), wk = 0.0018657 k( 191) = ( 0.2241379 0.2241379 0.4482759), wk = 0.0018657 k( 192) = ( 0.2198276 0.2198276 0.4396552), wk = 0.0018657 k( 193) = ( 0.2155172 0.2155172 0.4310345), wk = 0.0018657 k( 194) = ( 0.2112069 0.2112069 0.4224138), wk = 0.0018657 k( 195) = ( 0.2068966 0.2068966 0.4137931), wk = 0.0018657 k( 196) = ( 0.2025862 0.2025862 0.4051724), wk = 0.0018657 k( 197) = ( 0.1982759 0.1982759 0.3965517), wk = 0.0018657 k( 198) = ( 0.1939655 0.1939655 0.3879310), wk = 0.0018657 k( 199) = ( 0.1896552 0.1896552 0.3793103), wk = 0.0018657 k( 200) = ( 0.1853448 0.1853448 0.3706897), wk = 0.0018657 k( 201) = ( 0.1810345 0.1810345 0.3620690), wk = 0.0018657 k( 202) = ( 0.1767241 0.1767241 0.3534483), wk = 0.0018657 k( 203) = ( 0.1724138 0.1724138 0.3448276), wk = 0.0018657 k( 204) = ( 0.1681034 0.1681034 0.3362069), wk = 0.0018657 k( 205) = ( 0.1637931 0.1637931 0.3275862), wk = 0.0018657 k( 206) = ( 0.1594828 0.1594828 0.3189655), wk = 0.0018657 k( 207) = ( 0.1551724 0.1551724 0.3103448), wk = 0.0018657 k( 208) = ( 0.1508621 0.1508621 0.3017241), wk = 0.0018657 k( 209) = ( 0.1465517 0.1465517 0.2931034), wk = 0.0018657 k( 210) = ( 0.1422414 0.1422414 0.2844828), wk = 0.0018657 k( 211) = ( 0.1379310 0.1379310 0.2758621), wk = 0.0018657 k( 212) = ( 0.1336207 0.1336207 0.2672414), wk = 0.0018657 k( 213) = ( 0.1293103 0.1293103 0.2586207), wk = 0.0018657 k( 214) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0018657 k( 215) = ( 0.1206897 0.1206897 0.2413793), wk = 0.0018657 k( 216) = ( 0.1163793 0.1163793 0.2327586), wk = 0.0018657 k( 217) = ( 0.1120690 0.1120690 0.2241379), wk = 0.0018657 k( 218) = ( 0.1077586 0.1077586 0.2155172), wk = 0.0018657 k( 219) = ( 0.1034483 0.1034483 0.2068966), wk = 0.0018657 k( 220) = ( 0.0991379 0.0991379 0.1982759), wk = 0.0018657 k( 221) = ( 0.0948276 0.0948276 0.1896552), wk = 0.0018657 k( 222) = ( 0.0905172 0.0905172 0.1810345), wk = 0.0018657 k( 223) = ( 0.0862069 0.0862069 0.1724138), wk = 0.0018657 k( 224) = ( 0.0818965 0.0818965 0.1637931), wk = 0.0018657 k( 225) = ( 0.0775862 0.0775862 0.1551724), wk = 0.0018657 k( 226) = ( 0.0732759 0.0732759 0.1465517), wk = 0.0018657 k( 227) = ( 0.0689655 0.0689655 0.1379310), wk = 0.0018657 k( 228) = ( 0.0646552 0.0646552 0.1293103), wk = 0.0018657 k( 229) = ( 0.0603448 0.0603448 0.1206897), wk = 0.0018657 k( 230) = ( 0.0560345 0.0560345 0.1120690), wk = 0.0018657 k( 231) = ( 0.0517241 0.0517241 0.1034483), wk = 0.0018657 k( 232) = ( 0.0474138 0.0474138 0.0948276), wk = 0.0018657 k( 233) = ( 0.0431035 0.0431035 0.0862069), wk = 0.0018657 k( 234) = ( 0.0387931 0.0387931 0.0775862), wk = 0.0018657 k( 235) = ( 0.0344828 0.0344828 0.0689655), wk = 0.0018657 k( 236) = ( 0.0301724 0.0301724 0.0603448), wk = 0.0018657 k( 237) = ( 0.0258621 0.0258621 0.0517241), wk = 0.0018657 k( 238) = ( 0.0215517 0.0215517 0.0431035), wk = 0.0018657 k( 239) = ( 0.0172414 0.0172414 0.0344828), wk = 0.0018657 k( 240) = ( 0.0129310 0.0129310 0.0258621), wk = 0.0018657 k( 241) = ( 0.0086207 0.0086207 0.0172414), wk = 0.0018657 k( 242) = ( 0.0043103 0.0043103 0.0086207), wk = 0.0018657 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 245) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0018657 k( 246) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0018657 k( 247) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0018657 k( 248) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0018657 k( 249) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0018657 k( 250) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0018657 k( 251) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0018657 k( 252) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0018657 k( 253) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0018657 k( 254) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0018657 k( 255) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0018657 k( 256) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0018657 k( 257) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0018657 k( 258) = ( 0.0985916 0.0985916 0.0985916), wk = 0.0018657 k( 259) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0018657 k( 260) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0018657 k( 261) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0018657 k( 262) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0018657 k( 263) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0018657 k( 264) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0018657 k( 265) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0018657 k( 266) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0018657 k( 267) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0018657 k( 268) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0018657 k( 269) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0018657 k( 270) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0018657 k( 271) = ( 0.1901409 0.1901409 0.1901409), wk = 0.0018657 k( 272) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0018657 k( 273) = ( 0.2042253 0.2042253 0.2042254), wk = 0.0018657 k( 274) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0018657 k( 275) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0018657 k( 276) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0018657 k( 277) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0018657 k( 278) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0018657 k( 279) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0018657 k( 280) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0018657 k( 281) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0018657 k( 282) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0018657 k( 283) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0018657 k( 284) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0018657 k( 285) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0018657 k( 286) = ( 0.2957746 0.2957747 0.2957746), wk = 0.0018657 k( 287) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0018657 k( 288) = ( 0.3098592 0.3098592 0.3098592), wk = 0.0018657 k( 289) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0018657 k( 290) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0018657 k( 291) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0018657 k( 292) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0018657 k( 293) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0018657 k( 294) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0018657 k( 295) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0018657 k( 296) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0018657 k( 297) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0018657 k( 298) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0018657 k( 299) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0018657 k( 300) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0018657 k( 301) = ( 0.4014085 0.4014085 0.4014085), wk = 0.0018657 k( 302) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0018657 k( 303) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0018657 k( 304) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0018657 k( 305) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0018657 k( 306) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0018657 k( 307) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0018657 k( 308) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0018657 k( 309) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0018657 k( 310) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0018657 k( 311) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0018657 k( 312) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0018657 k( 313) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0018657 k( 314) = ( 0.4929577 0.4929577 0.4929578), wk = 0.0018657 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 317) = ( 0.5025000 0.4950000 0.5025000), wk = 0.0018657 k( 318) = ( 0.5050000 0.4900000 0.5050000), wk = 0.0018657 k( 319) = ( 0.5075000 0.4850000 0.5075000), wk = 0.0018657 k( 320) = ( 0.5100000 0.4800000 0.5100000), wk = 0.0018657 k( 321) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0018657 k( 322) = ( 0.5150000 0.4700000 0.5150000), wk = 0.0018657 k( 323) = ( 0.5175000 0.4650000 0.5175000), wk = 0.0018657 k( 324) = ( 0.5200000 0.4600000 0.5200000), wk = 0.0018657 k( 325) = ( 0.5225000 0.4550000 0.5225000), wk = 0.0018657 k( 326) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0018657 k( 327) = ( 0.5275000 0.4450000 0.5275000), wk = 0.0018657 k( 328) = ( 0.5300000 0.4400000 0.5300000), wk = 0.0018657 k( 329) = ( 0.5325000 0.4350000 0.5325000), wk = 0.0018657 k( 330) = ( 0.5350000 0.4300000 0.5350000), wk = 0.0018657 k( 331) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0018657 k( 332) = ( 0.5400000 0.4200000 0.5400000), wk = 0.0018657 k( 333) = ( 0.5425000 0.4150000 0.5425000), wk = 0.0018657 k( 334) = ( 0.5450000 0.4100000 0.5450000), wk = 0.0018657 k( 335) = ( 0.5475000 0.4050000 0.5475000), wk = 0.0018657 k( 336) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0018657 k( 337) = ( 0.5525000 0.3950000 0.5525000), wk = 0.0018657 k( 338) = ( 0.5550000 0.3900000 0.5550000), wk = 0.0018657 k( 339) = ( 0.5575000 0.3850000 0.5575000), wk = 0.0018657 k( 340) = ( 0.5600000 0.3800000 0.5600000), wk = 0.0018657 k( 341) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0018657 k( 342) = ( 0.5650000 0.3700000 0.5650000), wk = 0.0018657 k( 343) = ( 0.5675000 0.3650000 0.5675000), wk = 0.0018657 k( 344) = ( 0.5700000 0.3600000 0.5700000), wk = 0.0018657 k( 345) = ( 0.5725000 0.3550000 0.5725000), wk = 0.0018657 k( 346) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0018657 k( 347) = ( 0.5775000 0.3450000 0.5775000), wk = 0.0018657 k( 348) = ( 0.5800000 0.3400000 0.5800000), wk = 0.0018657 k( 349) = ( 0.5825000 0.3350000 0.5825000), wk = 0.0018657 k( 350) = ( 0.5850000 0.3300000 0.5850000), wk = 0.0018657 k( 351) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0018657 k( 352) = ( 0.5900000 0.3200000 0.5900000), wk = 0.0018657 k( 353) = ( 0.5925000 0.3150000 0.5925000), wk = 0.0018657 k( 354) = ( 0.5950000 0.3100000 0.5950000), wk = 0.0018657 k( 355) = ( 0.5975000 0.3050000 0.5975000), wk = 0.0018657 k( 356) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0018657 k( 357) = ( 0.6025000 0.2950000 0.6025000), wk = 0.0018657 k( 358) = ( 0.6050000 0.2900000 0.6050000), wk = 0.0018657 k( 359) = ( 0.6075000 0.2850000 0.6075000), wk = 0.0018657 k( 360) = ( 0.6100000 0.2800000 0.6100000), wk = 0.0018657 k( 361) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0018657 k( 362) = ( 0.6150000 0.2700000 0.6150000), wk = 0.0018657 k( 363) = ( 0.6175000 0.2650000 0.6175000), wk = 0.0018657 k( 364) = ( 0.6200000 0.2600000 0.6200000), wk = 0.0018657 k( 365) = ( 0.6225000 0.2550000 0.6225000), wk = 0.0018657 k( 366) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0018657 k( 367) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0018657 k( 368) = ( 0.6206897 0.2500000 0.6293103), wk = 0.0018657 k( 369) = ( 0.6163793 0.2500000 0.6336207), wk = 0.0018657 k( 370) = ( 0.6120690 0.2500000 0.6379310), wk = 0.0018657 k( 371) = ( 0.6077586 0.2500000 0.6422414), wk = 0.0018657 k( 372) = ( 0.6034483 0.2500000 0.6465517), wk = 0.0018657 k( 373) = ( 0.5991379 0.2500000 0.6508621), wk = 0.0018657 k( 374) = ( 0.5948276 0.2500000 0.6551724), wk = 0.0018657 k( 375) = ( 0.5905172 0.2500000 0.6594828), wk = 0.0018657 k( 376) = ( 0.5862069 0.2500000 0.6637931), wk = 0.0018657 k( 377) = ( 0.5818965 0.2500000 0.6681035), wk = 0.0018657 k( 378) = ( 0.5775862 0.2500000 0.6724138), wk = 0.0018657 k( 379) = ( 0.5732759 0.2500000 0.6767241), wk = 0.0018657 k( 380) = ( 0.5689655 0.2500000 0.6810345), wk = 0.0018657 k( 381) = ( 0.5646552 0.2500000 0.6853448), wk = 0.0018657 k( 382) = ( 0.5603448 0.2500000 0.6896552), wk = 0.0018657 k( 383) = ( 0.5560345 0.2500000 0.6939655), wk = 0.0018657 k( 384) = ( 0.5517241 0.2500000 0.6982759), wk = 0.0018657 k( 385) = ( 0.5474138 0.2500000 0.7025862), wk = 0.0018657 k( 386) = ( 0.5431035 0.2500000 0.7068965), wk = 0.0018657 k( 387) = ( 0.5387931 0.2500000 0.7112069), wk = 0.0018657 k( 388) = ( 0.5344828 0.2500000 0.7155172), wk = 0.0018657 k( 389) = ( 0.5301724 0.2500000 0.7198276), wk = 0.0018657 k( 390) = ( 0.5258621 0.2500000 0.7241379), wk = 0.0018657 k( 391) = ( 0.5215517 0.2500000 0.7284483), wk = 0.0018657 k( 392) = ( 0.5172414 0.2500000 0.7327586), wk = 0.0018657 k( 393) = ( 0.5129310 0.2500000 0.7370690), wk = 0.0018657 k( 394) = ( 0.5086207 0.2500000 0.7413793), wk = 0.0018657 k( 395) = ( 0.5043103 0.2500000 0.7456897), wk = 0.0018657 k( 396) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018657 k( 397) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0018657 k( 398) = ( 0.5000000 0.2543103 0.7456897), wk = 0.0018657 k( 399) = ( 0.5000000 0.2586207 0.7413793), wk = 0.0018657 k( 400) = ( 0.5000000 0.2629310 0.7370690), wk = 0.0018657 k( 401) = ( 0.5000000 0.2672414 0.7327586), wk = 0.0018657 k( 402) = ( 0.5000000 0.2715517 0.7284483), wk = 0.0018657 k( 403) = ( 0.5000000 0.2758621 0.7241379), wk = 0.0018657 k( 404) = ( 0.5000000 0.2801724 0.7198276), wk = 0.0018657 k( 405) = ( 0.5000000 0.2844828 0.7155172), wk = 0.0018657 k( 406) = ( 0.5000000 0.2887931 0.7112069), wk = 0.0018657 k( 407) = ( 0.5000000 0.2931034 0.7068966), wk = 0.0018657 k( 408) = ( 0.5000000 0.2974138 0.7025862), wk = 0.0018657 k( 409) = ( 0.5000000 0.3017241 0.6982759), wk = 0.0018657 k( 410) = ( 0.5000000 0.3060345 0.6939655), wk = 0.0018657 k( 411) = ( 0.5000000 0.3103448 0.6896552), wk = 0.0018657 k( 412) = ( 0.5000000 0.3146552 0.6853448), wk = 0.0018657 k( 413) = ( 0.5000000 0.3189655 0.6810345), wk = 0.0018657 k( 414) = ( 0.5000000 0.3232759 0.6767241), wk = 0.0018657 k( 415) = ( 0.5000000 0.3275862 0.6724138), wk = 0.0018657 k( 416) = ( 0.5000000 0.3318966 0.6681035), wk = 0.0018657 k( 417) = ( 0.5000000 0.3362069 0.6637931), wk = 0.0018657 k( 418) = ( 0.5000000 0.3405172 0.6594828), wk = 0.0018657 k( 419) = ( 0.5000000 0.3448276 0.6551724), wk = 0.0018657 k( 420) = ( 0.5000000 0.3491379 0.6508621), wk = 0.0018657 k( 421) = ( 0.5000000 0.3534483 0.6465517), wk = 0.0018657 k( 422) = ( 0.5000000 0.3577586 0.6422414), wk = 0.0018657 k( 423) = ( 0.5000000 0.3620690 0.6379310), wk = 0.0018657 k( 424) = ( 0.5000000 0.3663793 0.6336207), wk = 0.0018657 k( 425) = ( 0.5000000 0.3706897 0.6293103), wk = 0.0018657 k( 426) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0018657 k( 427) = ( 0.5000000 0.3793103 0.6206897), wk = 0.0018657 k( 428) = ( 0.5000000 0.3836207 0.6163793), wk = 0.0018657 k( 429) = ( 0.5000000 0.3879310 0.6120690), wk = 0.0018657 k( 430) = ( 0.5000000 0.3922414 0.6077586), wk = 0.0018657 k( 431) = ( 0.5000000 0.3965517 0.6034483), wk = 0.0018657 k( 432) = ( 0.5000000 0.4008621 0.5991379), wk = 0.0018657 k( 433) = ( 0.5000000 0.4051724 0.5948276), wk = 0.0018657 k( 434) = ( 0.5000000 0.4094828 0.5905172), wk = 0.0018657 k( 435) = ( 0.5000000 0.4137931 0.5862069), wk = 0.0018657 k( 436) = ( 0.5000000 0.4181034 0.5818965), wk = 0.0018657 k( 437) = ( 0.5000000 0.4224138 0.5775862), wk = 0.0018657 k( 438) = ( 0.5000000 0.4267241 0.5732759), wk = 0.0018657 k( 439) = ( 0.5000000 0.4310345 0.5689655), wk = 0.0018657 k( 440) = ( 0.5000000 0.4353448 0.5646552), wk = 0.0018657 k( 441) = ( 0.5000000 0.4396552 0.5603448), wk = 0.0018657 k( 442) = ( 0.5000000 0.4439655 0.5560345), wk = 0.0018657 k( 443) = ( 0.5000000 0.4482759 0.5517241), wk = 0.0018657 k( 444) = ( 0.5000000 0.4525862 0.5474138), wk = 0.0018657 k( 445) = ( 0.5000000 0.4568966 0.5431035), wk = 0.0018657 k( 446) = ( 0.5000000 0.4612069 0.5387931), wk = 0.0018657 k( 447) = ( 0.5000000 0.4655172 0.5344828), wk = 0.0018657 k( 448) = ( 0.5000000 0.4698276 0.5301724), wk = 0.0018657 k( 449) = ( 0.5000000 0.4741379 0.5258621), wk = 0.0018657 k( 450) = ( 0.5000000 0.4784483 0.5215517), wk = 0.0018657 k( 451) = ( 0.5000000 0.4827586 0.5172414), wk = 0.0018657 k( 452) = ( 0.5000000 0.4870690 0.5129310), wk = 0.0018657 k( 453) = ( 0.5000000 0.4913793 0.5086207), wk = 0.0018657 k( 454) = ( 0.5000000 0.4956897 0.5043103), wk = 0.0018657 k( 455) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 456) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 457) = ( 0.4975000 0.4975000 0.5050000), wk = 0.0018657 k( 458) = ( 0.4950000 0.4950000 0.5100000), wk = 0.0018657 k( 459) = ( 0.4925000 0.4925000 0.5150000), wk = 0.0018657 k( 460) = ( 0.4900000 0.4900000 0.5200000), wk = 0.0018657 k( 461) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0018657 k( 462) = ( 0.4850000 0.4850000 0.5300000), wk = 0.0018657 k( 463) = ( 0.4825000 0.4825000 0.5350000), wk = 0.0018657 k( 464) = ( 0.4800000 0.4800000 0.5400000), wk = 0.0018657 k( 465) = ( 0.4775000 0.4775000 0.5450000), wk = 0.0018657 k( 466) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0018657 k( 467) = ( 0.4725000 0.4725000 0.5550000), wk = 0.0018657 k( 468) = ( 0.4700000 0.4700000 0.5600000), wk = 0.0018657 k( 469) = ( 0.4675000 0.4675000 0.5650000), wk = 0.0018657 k( 470) = ( 0.4650000 0.4650000 0.5700000), wk = 0.0018657 k( 471) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0018657 k( 472) = ( 0.4600000 0.4600000 0.5800000), wk = 0.0018657 k( 473) = ( 0.4575000 0.4575000 0.5850000), wk = 0.0018657 k( 474) = ( 0.4550000 0.4550000 0.5900000), wk = 0.0018657 k( 475) = ( 0.4525000 0.4525000 0.5950000), wk = 0.0018657 k( 476) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0018657 k( 477) = ( 0.4475000 0.4475000 0.6050000), wk = 0.0018657 k( 478) = ( 0.4450000 0.4450000 0.6100000), wk = 0.0018657 k( 479) = ( 0.4425000 0.4425000 0.6150000), wk = 0.0018657 k( 480) = ( 0.4400000 0.4400000 0.6200000), wk = 0.0018657 k( 481) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0018657 k( 482) = ( 0.4350000 0.4350000 0.6300000), wk = 0.0018657 k( 483) = ( 0.4325000 0.4325000 0.6350000), wk = 0.0018657 k( 484) = ( 0.4300000 0.4300000 0.6400000), wk = 0.0018657 k( 485) = ( 0.4275000 0.4275000 0.6450000), wk = 0.0018657 k( 486) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0018657 k( 487) = ( 0.4225000 0.4225000 0.6550000), wk = 0.0018657 k( 488) = ( 0.4200000 0.4200000 0.6600000), wk = 0.0018657 k( 489) = ( 0.4175000 0.4175000 0.6650000), wk = 0.0018657 k( 490) = ( 0.4150000 0.4150000 0.6700000), wk = 0.0018657 k( 491) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0018657 k( 492) = ( 0.4100000 0.4100000 0.6800000), wk = 0.0018657 k( 493) = ( 0.4075000 0.4075000 0.6850000), wk = 0.0018657 k( 494) = ( 0.4050000 0.4050000 0.6900000), wk = 0.0018657 k( 495) = ( 0.4025000 0.4025000 0.6950000), wk = 0.0018657 k( 496) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0018657 k( 497) = ( 0.3975000 0.3975000 0.7050000), wk = 0.0018657 k( 498) = ( 0.3950000 0.3950000 0.7100000), wk = 0.0018657 k( 499) = ( 0.3925000 0.3925000 0.7150000), wk = 0.0018657 k( 500) = ( 0.3900000 0.3900000 0.7200000), wk = 0.0018657 k( 501) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0018657 k( 502) = ( 0.3850000 0.3850000 0.7300000), wk = 0.0018657 k( 503) = ( 0.3825000 0.3825000 0.7350000), wk = 0.0018657 k( 504) = ( 0.3800000 0.3800000 0.7400000), wk = 0.0018657 k( 505) = ( 0.3775000 0.3775000 0.7450000), wk = 0.0018657 k( 506) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0018657 k( 507) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0018657 k( 508) = ( 0.6206897 0.2413793 0.6206897), wk = 0.0018657 k( 509) = ( 0.6163793 0.2327586 0.6163793), wk = 0.0018657 k( 510) = ( 0.6120690 0.2241379 0.6120690), wk = 0.0018657 k( 511) = ( 0.6077586 0.2155172 0.6077586), wk = 0.0018657 k( 512) = ( 0.6034483 0.2068966 0.6034483), wk = 0.0018657 k( 513) = ( 0.5991379 0.1982759 0.5991379), wk = 0.0018657 k( 514) = ( 0.5948276 0.1896552 0.5948276), wk = 0.0018657 k( 515) = ( 0.5905172 0.1810345 0.5905172), wk = 0.0018657 k( 516) = ( 0.5862069 0.1724138 0.5862069), wk = 0.0018657 k( 517) = ( 0.5818965 0.1637931 0.5818965), wk = 0.0018657 k( 518) = ( 0.5775862 0.1551724 0.5775862), wk = 0.0018657 k( 519) = ( 0.5732759 0.1465517 0.5732759), wk = 0.0018657 k( 520) = ( 0.5689655 0.1379310 0.5689655), wk = 0.0018657 k( 521) = ( 0.5646552 0.1293103 0.5646552), wk = 0.0018657 k( 522) = ( 0.5603448 0.1206897 0.5603448), wk = 0.0018657 k( 523) = ( 0.5560345 0.1120690 0.5560345), wk = 0.0018657 k( 524) = ( 0.5517241 0.1034483 0.5517241), wk = 0.0018657 k( 525) = ( 0.5474138 0.0948276 0.5474138), wk = 0.0018657 k( 526) = ( 0.5431035 0.0862069 0.5431035), wk = 0.0018657 k( 527) = ( 0.5387931 0.0775862 0.5387931), wk = 0.0018657 k( 528) = ( 0.5344828 0.0689655 0.5344828), wk = 0.0018657 k( 529) = ( 0.5301724 0.0603448 0.5301724), wk = 0.0018657 k( 530) = ( 0.5258621 0.0517241 0.5258621), wk = 0.0018657 k( 531) = ( 0.5215517 0.0431034 0.5215517), wk = 0.0018657 k( 532) = ( 0.5172414 0.0344828 0.5172414), wk = 0.0018657 k( 533) = ( 0.5129310 0.0258621 0.5129310), wk = 0.0018657 k( 534) = ( 0.5086207 0.0172414 0.5086207), wk = 0.0018657 k( 535) = ( 0.5043103 0.0086207 0.5043103), wk = 0.0018657 k( 536) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018657 Dense grid: 9377 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 72, 24) NL pseudopotentials 0.02 Mb ( 36, 38) Each V/rho on FFT grid 0.01 Mb ( 900) Each G-vector array 0.00 Mb ( 261) G-vector shells 0.00 Mb ( 111) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 72, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.03 Mb ( 38, 2, 24) The potential is recalculated from file : ./CrH2.save/charge-density.dat Starting wfc are 24 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.4 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.6 secs Computing kpt #: 5 total cpu time spent up to now is 1.7 secs Computing kpt #: 6 total cpu time spent up to now is 1.8 secs Computing kpt #: 7 total cpu time spent up to now is 1.8 secs Computing kpt #: 8 total cpu time spent up to now is 1.9 secs Computing kpt #: 9 total cpu time spent up to now is 2.0 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.1 secs Computing kpt #: 12 total cpu time spent up to now is 2.2 secs Computing kpt #: 13 total cpu time spent up to now is 2.3 secs Computing kpt #: 14 total cpu time spent up to now is 2.3 secs Computing kpt #: 15 total cpu time spent up to now is 2.4 secs Computing kpt #: 16 total cpu time spent up to now is 2.5 secs Computing kpt #: 17 total cpu time spent up to now is 2.5 secs Computing kpt #: 18 total cpu time spent up to now is 2.6 secs Computing kpt #: 19 total cpu time spent up to now is 2.7 secs Computing kpt #: 20 total cpu time spent up to now is 2.7 secs Computing kpt #: 21 total cpu time spent up to now is 2.8 secs Computing kpt #: 22 total cpu time spent up to now is 2.9 secs Computing kpt #: 23 total cpu time spent up to now is 2.9 secs Computing kpt #: 24 total cpu time spent up to now is 3.0 secs Computing kpt #: 25 total cpu time spent up to now is 3.1 secs Computing kpt #: 26 total cpu time spent up to now is 3.2 secs Computing kpt #: 27 total cpu time spent up to now is 3.2 secs Computing kpt #: 28 total cpu time spent up to now is 3.3 secs Computing kpt #: 29 total cpu time spent up to now is 3.4 secs Computing kpt #: 30 total cpu time spent up to now is 3.4 secs Computing kpt #: 31 total cpu time spent up to now is 3.5 secs Computing kpt #: 32 total cpu time spent up to now is 3.6 secs Computing kpt #: 33 total cpu time spent up to now is 3.6 secs Computing kpt #: 34 total cpu time spent up to now is 3.7 secs Computing kpt #: 35 total cpu time spent up to now is 3.8 secs Computing kpt #: 36 total cpu time spent up to now is 3.8 secs Computing kpt #: 37 total cpu time spent up to now is 3.9 secs Computing kpt #: 38 total cpu time spent up to now is 4.0 secs Computing kpt #: 39 total cpu time spent up to now is 4.0 secs Computing kpt #: 40 total cpu time spent up to now is 4.1 secs Computing kpt #: 41 total cpu time spent up to now is 4.2 secs Computing kpt #: 42 total cpu time spent up to now is 4.3 secs Computing kpt #: 43 total cpu time spent up to now is 4.3 secs Computing kpt #: 44 total cpu time spent up to now is 4.4 secs Computing kpt #: 45 total cpu time spent up to now is 4.5 secs Computing kpt #: 46 total cpu time spent up to now is 4.6 secs Computing kpt #: 47 total cpu time spent up to now is 4.6 secs Computing kpt #: 48 total cpu time spent up to now is 4.7 secs Computing kpt #: 49 total cpu time spent up to now is 4.8 secs Computing kpt #: 50 total cpu time spent up to now is 4.9 secs Computing kpt #: 51 total cpu time spent up to now is 4.9 secs Computing kpt #: 52 total cpu time spent up to now is 5.0 secs Computing kpt #: 53 total cpu time spent up to now is 5.1 secs Computing kpt #: 54 total cpu time spent up to now is 5.2 secs Computing kpt #: 55 total cpu time spent up to now is 5.2 secs Computing kpt #: 56 total cpu time spent up to now is 5.3 secs Computing kpt #: 57 total cpu time spent up to now is 5.4 secs Computing kpt #: 58 total cpu time spent up to now is 5.5 secs Computing kpt #: 59 total cpu time spent up to now is 5.5 secs Computing kpt #: 60 total cpu time spent up to now is 5.6 secs Computing kpt #: 61 total cpu time spent up to now is 5.7 secs Computing kpt #: 62 total cpu time spent up to now is 5.8 secs Computing kpt #: 63 total cpu time spent up to now is 5.8 secs Computing kpt #: 64 total cpu time spent up to now is 5.9 secs Computing kpt #: 65 total cpu time spent up to now is 6.0 secs Computing kpt #: 66 total cpu time spent up to now is 6.1 secs Computing kpt #: 67 total cpu time spent up to now is 6.1 secs Computing kpt #: 68 total cpu time spent up to now is 6.2 secs Computing kpt #: 69 total cpu time spent up to now is 6.3 secs Computing kpt #: 70 total cpu time spent up to now is 6.4 secs Computing kpt #: 71 total cpu time spent up to now is 6.5 secs Computing kpt #: 72 total cpu time spent up to now is 6.5 secs Computing kpt #: 73 total cpu time spent up to now is 6.6 secs Computing kpt #: 74 total cpu time spent up to now is 6.7 secs Computing kpt #: 75 total cpu time spent up to now is 6.7 secs Computing kpt #: 76 total cpu time spent up to now is 6.8 secs Computing kpt #: 77 total cpu time spent up to now is 6.9 secs Computing kpt #: 78 total cpu time spent up to now is 7.0 secs Computing kpt #: 79 total cpu time spent up to now is 7.0 secs Computing kpt #: 80 total cpu time spent up to now is 7.1 secs Computing kpt #: 81 total cpu time spent up to now is 7.2 secs Computing kpt #: 82 total cpu time spent up to now is 7.3 secs Computing kpt #: 83 total cpu time spent up to now is 7.4 secs Computing kpt #: 84 total cpu time spent up to now is 7.4 secs Computing kpt #: 85 total cpu time spent up to now is 7.5 secs Computing kpt #: 86 total cpu time spent up to now is 7.6 secs Computing kpt #: 87 total cpu time spent up to now is 7.6 secs Computing kpt #: 88 total cpu time spent up to now is 7.7 secs Computing kpt #: 89 total cpu time spent up to now is 7.8 secs Computing kpt #: 90 total cpu time spent up to now is 7.9 secs Computing kpt #: 91 total cpu time spent up to now is 7.9 secs Computing kpt #: 92 total cpu time spent up to now is 8.0 secs Computing kpt #: 93 total cpu time spent up to now is 8.1 secs Computing kpt #: 94 total cpu time spent up to now is 8.1 secs Computing kpt #: 95 total cpu time spent up to now is 8.2 secs Computing kpt #: 96 total cpu time spent up to now is 8.3 secs Computing kpt #: 97 total cpu time spent up to now is 8.3 secs Computing kpt #: 98 total cpu time spent up to now is 8.4 secs Computing kpt #: 99 total cpu time spent up to now is 8.5 secs Computing kpt #: 100 total cpu time spent up to now is 8.5 secs Computing kpt #: 101 total cpu time spent up to now is 8.6 secs Computing kpt #: 102 total cpu time spent up to now is 8.7 secs Computing kpt #: 103 total cpu time spent up to now is 8.7 secs Computing kpt #: 104 total cpu time spent up to now is 8.8 secs Computing kpt #: 105 total cpu time spent up to now is 8.9 secs Computing kpt #: 106 total cpu time spent up to now is 8.9 secs Computing kpt #: 107 total cpu time spent up to now is 9.0 secs Computing kpt #: 108 total cpu time spent up to now is 9.1 secs Computing kpt #: 109 total cpu time spent up to now is 9.1 secs Computing kpt #: 110 total cpu time spent up to now is 9.2 secs Computing kpt #: 111 total cpu time spent up to now is 9.3 secs Computing kpt #: 112 total cpu time spent up to now is 9.3 secs Computing kpt #: 113 total cpu time spent up to now is 9.4 secs Computing kpt #: 114 total cpu time spent up to now is 9.5 secs Computing kpt #: 115 total cpu time spent up to now is 9.5 secs Computing kpt #: 116 total cpu time spent up to now is 9.6 secs Computing kpt #: 117 total cpu time spent up to now is 9.7 secs Computing kpt #: 118 total cpu time spent up to now is 9.7 secs Computing kpt #: 119 total cpu time spent up to now is 9.8 secs Computing kpt #: 120 total cpu time spent up to now is 9.9 secs Computing kpt #: 121 total cpu time spent up to now is 9.9 secs Computing kpt #: 122 total cpu time spent up to now is 10.0 secs Computing kpt #: 123 total cpu time spent up to now is 10.1 secs Computing kpt #: 124 total cpu time spent up to now is 10.1 secs Computing kpt #: 125 total cpu time spent up to now is 10.2 secs Computing kpt #: 126 total cpu time spent up to now is 10.3 secs Computing kpt #: 127 total cpu time spent up to now is 10.3 secs Computing kpt #: 128 total cpu time spent up to now is 10.4 secs Computing kpt #: 129 total cpu time spent up to now is 10.5 secs Computing kpt #: 130 total cpu time spent up to now is 10.5 secs Computing kpt #: 131 total cpu time spent up to now is 10.6 secs Computing kpt #: 132 total cpu time spent up to now is 10.7 secs Computing kpt #: 133 total cpu time spent up to now is 10.7 secs Computing kpt #: 134 total cpu time spent up to now is 10.8 secs Computing kpt #: 135 total cpu time spent up to now is 10.9 secs Computing kpt #: 136 total cpu time spent up to now is 11.0 secs Computing kpt #: 137 total cpu time spent up to now is 11.0 secs Computing kpt #: 138 total cpu time spent up to now is 11.1 secs Computing kpt #: 139 total cpu time spent up to now is 11.2 secs Computing kpt #: 140 total cpu time spent up to now is 11.3 secs Computing kpt #: 141 total cpu time spent up to now is 11.3 secs Computing kpt #: 142 total cpu time spent up to now is 11.4 secs Computing kpt #: 143 total cpu time spent up to now is 11.5 secs Computing kpt #: 144 total cpu time spent up to now is 11.6 secs Computing kpt #: 145 total cpu time spent up to now is 11.6 secs Computing kpt #: 146 total cpu time spent up to now is 11.7 secs Computing kpt #: 147 total cpu time spent up to now is 11.8 secs Computing kpt #: 148 total cpu time spent up to now is 11.8 secs Computing kpt #: 149 total cpu time spent up to now is 11.9 secs Computing kpt #: 150 total cpu time spent up to now is 12.0 secs Computing kpt #: 151 total cpu time spent up to now is 12.0 secs Computing kpt #: 152 total cpu time spent up to now is 12.1 secs Computing kpt #: 153 total cpu time spent up to now is 12.2 secs Computing kpt #: 154 total cpu time spent up to now is 12.2 secs Computing kpt #: 155 total cpu time spent up to now is 12.3 secs Computing kpt #: 156 total cpu time spent up to now is 12.4 secs Computing kpt #: 157 total cpu time spent up to now is 12.4 secs Computing kpt #: 158 total cpu time spent up to now is 12.5 secs Computing kpt #: 159 total cpu time spent up to now is 12.6 secs Computing kpt #: 160 total cpu time spent up to now is 12.6 secs Computing kpt #: 161 total cpu time spent up to now is 12.7 secs Computing kpt #: 162 total cpu time spent up to now is 12.8 secs Computing kpt #: 163 total cpu time spent up to now is 12.8 secs Computing kpt #: 164 total cpu time spent up to now is 12.9 secs Computing kpt #: 165 total cpu time spent up to now is 12.9 secs Computing kpt #: 166 total cpu time spent up to now is 13.0 secs Computing kpt #: 167 total cpu time spent up to now is 13.1 secs Computing kpt #: 168 total cpu time spent up to now is 13.1 secs Computing kpt #: 169 total cpu time spent up to now is 13.2 secs Computing kpt #: 170 total cpu time spent up to now is 13.2 secs Computing kpt #: 171 total cpu time spent up to now is 13.3 secs Computing kpt #: 172 total cpu time spent up to now is 13.4 secs Computing kpt #: 173 total cpu time spent up to now is 13.4 secs Computing kpt #: 174 total cpu time spent up to now is 13.5 secs Computing kpt #: 175 total cpu time spent up to now is 13.5 secs Computing kpt #: 176 total cpu time spent up to now is 13.6 secs Computing kpt #: 177 total cpu time spent up to now is 13.7 secs Computing kpt #: 178 total cpu time spent up to now is 13.7 secs Computing kpt #: 179 total cpu time spent up to now is 13.8 secs Computing kpt #: 180 total cpu time spent up to now is 13.9 secs Computing kpt #: 181 total cpu time spent up to now is 13.9 secs Computing kpt #: 182 total cpu time spent up to now is 14.0 secs Computing kpt #: 183 total cpu time spent up to now is 14.1 secs Computing kpt #: 184 total cpu time spent up to now is 14.1 secs Computing kpt #: 185 total cpu time spent up to now is 14.2 secs Computing kpt #: 186 total cpu time spent up to now is 14.3 secs Computing kpt #: 187 total cpu time spent up to now is 14.3 secs Computing kpt #: 188 total cpu time spent up to now is 14.4 secs Computing kpt #: 189 total cpu time spent up to now is 14.5 secs Computing kpt #: 190 total cpu time spent up to now is 14.5 secs Computing kpt #: 191 total cpu time spent up to now is 14.6 secs Computing kpt #: 192 total cpu time spent up to now is 14.7 secs Computing kpt #: 193 total cpu time spent up to now is 14.7 secs Computing kpt #: 194 total cpu time spent up to now is 14.8 secs Computing kpt #: 195 total cpu time spent up to now is 14.9 secs Computing kpt #: 196 total cpu time spent up to now is 15.0 secs Computing kpt #: 197 total cpu time spent up to now is 15.0 secs Computing kpt #: 198 total cpu time spent up to now is 15.1 secs Computing kpt #: 199 total cpu time spent up to now is 15.2 secs Computing kpt #: 200 total cpu time spent up to now is 15.2 secs Computing kpt #: 201 total cpu time spent up to now is 15.3 secs Computing kpt #: 202 total cpu time spent up to now is 15.4 secs Computing kpt #: 203 total cpu time spent up to now is 15.5 secs Computing kpt #: 204 total cpu time spent up to now is 15.5 secs Computing kpt #: 205 total cpu time spent up to now is 15.6 secs Computing kpt #: 206 total cpu time spent up to now is 15.7 secs Computing kpt #: 207 total cpu time spent up to now is 15.7 secs Computing kpt #: 208 total cpu time spent up to now is 15.8 secs Computing kpt #: 209 total cpu time spent up to now is 15.9 secs Computing kpt #: 210 total cpu time spent up to now is 15.9 secs Computing kpt #: 211 total cpu time spent up to now is 16.0 secs Computing kpt #: 212 total cpu time spent up to now is 16.1 secs Computing kpt #: 213 total cpu time spent up to now is 16.1 secs Computing kpt #: 214 total cpu time spent up to now is 16.2 secs Computing kpt #: 215 total cpu time spent up to now is 16.3 secs Computing kpt #: 216 total cpu time spent up to now is 16.3 secs Computing kpt #: 217 total cpu time spent up to now is 16.4 secs Computing kpt #: 218 total cpu time spent up to now is 16.5 secs Computing kpt #: 219 total cpu time spent up to now is 16.6 secs Computing kpt #: 220 total cpu time spent up to now is 16.6 secs Computing kpt #: 221 total cpu time spent up to now is 16.7 secs Computing kpt #: 222 total cpu time spent up to now is 16.8 secs Computing kpt #: 223 total cpu time spent up to now is 16.8 secs Computing kpt #: 224 total cpu time spent up to now is 16.9 secs Computing kpt #: 225 total cpu time spent up to now is 17.0 secs Computing kpt #: 226 total cpu time spent up to now is 17.0 secs Computing kpt #: 227 total cpu time spent up to now is 17.1 secs Computing kpt #: 228 total cpu time spent up to now is 17.2 secs Computing kpt #: 229 total cpu time spent up to now is 17.2 secs Computing kpt #: 230 total cpu time spent up to now is 17.3 secs Computing kpt #: 231 total cpu time spent up to now is 17.4 secs Computing kpt #: 232 total cpu time spent up to now is 17.4 secs Computing kpt #: 233 total cpu time spent up to now is 17.5 secs Computing kpt #: 234 total cpu time spent up to now is 17.6 secs Computing kpt #: 235 total cpu time spent up to now is 17.7 secs Computing kpt #: 236 total cpu time spent up to now is 17.7 secs Computing kpt #: 237 total cpu time spent up to now is 17.8 secs Computing kpt #: 238 total cpu time spent up to now is 17.9 secs Computing kpt #: 239 total cpu time spent up to now is 17.9 secs Computing kpt #: 240 total cpu time spent up to now is 18.0 secs Computing kpt #: 241 total cpu time spent up to now is 18.1 secs Computing kpt #: 242 total cpu time spent up to now is 18.2 secs Computing kpt #: 243 total cpu time spent up to now is 18.2 secs Computing kpt #: 244 total cpu time spent up to now is 18.3 secs Computing kpt #: 245 total cpu time spent up to now is 18.4 secs Computing kpt #: 246 total cpu time spent up to now is 18.4 secs Computing kpt #: 247 total cpu time spent up to now is 18.5 secs Computing kpt #: 248 total cpu time spent up to now is 18.6 secs Computing kpt #: 249 total cpu time spent up to now is 18.7 secs Computing kpt #: 250 total cpu time spent up to now is 18.7 secs Computing kpt #: 251 total cpu time spent up to now is 18.8 secs Computing kpt #: 252 total cpu time spent up to now is 18.9 secs Computing kpt #: 253 total cpu time spent up to now is 19.0 secs Computing kpt #: 254 total cpu time spent up to now is 19.0 secs Computing kpt #: 255 total cpu time spent up to now is 19.1 secs Computing kpt #: 256 total cpu time spent up to now is 19.2 secs Computing kpt #: 257 total cpu time spent up to now is 19.2 secs Computing kpt #: 258 total cpu time spent up to now is 19.3 secs Computing kpt #: 259 total cpu time spent up to now is 19.4 secs Computing kpt #: 260 total cpu time spent up to now is 19.4 secs Computing kpt #: 261 total cpu time spent up to now is 19.5 secs Computing kpt #: 262 total cpu time spent up to now is 19.6 secs Computing kpt #: 263 total cpu time spent up to now is 19.6 secs Computing kpt #: 264 total cpu time spent up to now is 19.7 secs Computing kpt #: 265 total cpu time spent up to now is 19.8 secs Computing kpt #: 266 total cpu time spent up to now is 19.8 secs Computing kpt #: 267 total cpu time spent up to now is 19.9 secs Computing kpt #: 268 total cpu time spent up to now is 20.0 secs Computing kpt #: 269 total cpu time spent up to now is 20.0 secs Computing kpt #: 270 total cpu time spent up to now is 20.1 secs Computing kpt #: 271 total cpu time spent up to now is 20.2 secs Computing kpt #: 272 total cpu time spent up to now is 20.3 secs Computing kpt #: 273 total cpu time spent up to now is 20.3 secs Computing kpt #: 274 total cpu time spent up to now is 20.4 secs Computing kpt #: 275 total cpu time spent up to now is 20.5 secs Computing kpt #: 276 total cpu time spent up to now is 20.5 secs Computing kpt #: 277 total cpu time spent up to now is 20.6 secs Computing kpt #: 278 total cpu time spent up to now is 20.7 secs Computing kpt #: 279 total cpu time spent up to now is 20.7 secs Computing kpt #: 280 total cpu time spent up to now is 20.8 secs Computing kpt #: 281 total cpu time spent up to now is 20.8 secs Computing kpt #: 282 total cpu time spent up to now is 20.9 secs Computing kpt #: 283 total cpu time spent up to now is 21.0 secs Computing kpt #: 284 total cpu time spent up to now is 21.0 secs Computing kpt #: 285 total cpu time spent up to now is 21.1 secs Computing kpt #: 286 total cpu time spent up to now is 21.2 secs Computing kpt #: 287 total cpu time spent up to now is 21.2 secs Computing kpt #: 288 total cpu time spent up to now is 21.3 secs Computing kpt #: 289 total cpu time spent up to now is 21.4 secs Computing kpt #: 290 total cpu time spent up to now is 21.4 secs Computing kpt #: 291 total cpu time spent up to now is 21.5 secs Computing kpt #: 292 total cpu time spent up to now is 21.5 secs Computing kpt #: 293 total cpu time spent up to now is 21.6 secs Computing kpt #: 294 total cpu time spent up to now is 21.7 secs Computing kpt #: 295 total cpu time spent up to now is 21.7 secs Computing kpt #: 296 total cpu time spent up to now is 21.8 secs Computing kpt #: 297 total cpu time spent up to now is 21.9 secs Computing kpt #: 298 total cpu time spent up to now is 21.9 secs Computing kpt #: 299 total cpu time spent up to now is 22.0 secs Computing kpt #: 300 total cpu time spent up to now is 22.0 secs Computing kpt #: 301 total cpu time spent up to now is 22.1 secs Computing kpt #: 302 total cpu time spent up to now is 22.2 secs Computing kpt #: 303 total cpu time spent up to now is 22.2 secs Computing kpt #: 304 total cpu time spent up to now is 22.3 secs Computing kpt #: 305 total cpu time spent up to now is 22.3 secs Computing kpt #: 306 total cpu time spent up to now is 22.4 secs Computing kpt #: 307 total cpu time spent up to now is 22.5 secs Computing kpt #: 308 total cpu time spent up to now is 22.5 secs Computing kpt #: 309 total cpu time spent up to now is 22.6 secs Computing kpt #: 310 total cpu time spent up to now is 22.6 secs Computing kpt #: 311 total cpu time spent up to now is 22.7 secs Computing kpt #: 312 total cpu time spent up to now is 22.8 secs Computing kpt #: 313 total cpu time spent up to now is 22.8 secs Computing kpt #: 314 total cpu time spent up to now is 22.9 secs Computing kpt #: 315 total cpu time spent up to now is 22.9 secs Computing kpt #: 316 total cpu time spent up to now is 23.0 secs Computing kpt #: 317 total cpu time spent up to now is 23.0 secs Computing kpt #: 318 total cpu time spent up to now is 23.1 secs Computing kpt #: 319 total cpu time spent up to now is 23.2 secs Computing kpt #: 320 total cpu time spent up to now is 23.2 secs Computing kpt #: 321 total cpu time spent up to now is 23.3 secs Computing kpt #: 322 total cpu time spent up to now is 23.4 secs Computing kpt #: 323 total cpu time spent up to now is 23.4 secs Computing kpt #: 324 total cpu time spent up to now is 23.5 secs Computing kpt #: 325 total cpu time spent up to now is 23.6 secs Computing kpt #: 326 total cpu time spent up to now is 23.6 secs Computing kpt #: 327 total cpu time spent up to now is 23.7 secs Computing kpt #: 328 total cpu time spent up to now is 23.8 secs Computing kpt #: 329 total cpu time spent up to now is 23.8 secs Computing kpt #: 330 total cpu time spent up to now is 23.9 secs Computing kpt #: 331 total cpu time spent up to now is 24.0 secs Computing kpt #: 332 total cpu time spent up to now is 24.1 secs Computing kpt #: 333 total cpu time spent up to now is 24.1 secs Computing kpt #: 334 total cpu time spent up to now is 24.2 secs Computing kpt #: 335 total cpu time spent up to now is 24.3 secs Computing kpt #: 336 total cpu time spent up to now is 24.3 secs Computing kpt #: 337 total cpu time spent up to now is 24.4 secs Computing kpt #: 338 total cpu time spent up to now is 24.5 secs Computing kpt #: 339 total cpu time spent up to now is 24.6 secs Computing kpt #: 340 total cpu time spent up to now is 24.6 secs Computing kpt #: 341 total cpu time spent up to now is 24.7 secs Computing kpt #: 342 total cpu time spent up to now is 24.8 secs Computing kpt #: 343 total cpu time spent up to now is 24.8 secs Computing kpt #: 344 total cpu time spent up to now is 24.9 secs Computing kpt #: 345 total cpu time spent up to now is 25.0 secs Computing kpt #: 346 total cpu time spent up to now is 25.1 secs Computing kpt #: 347 total cpu time spent up to now is 25.1 secs Computing kpt #: 348 total cpu time spent up to now is 25.2 secs Computing kpt #: 349 total cpu time spent up to now is 25.3 secs Computing kpt #: 350 total cpu time spent up to now is 25.3 secs Computing kpt #: 351 total cpu time spent up to now is 25.4 secs Computing kpt #: 352 total cpu time spent up to now is 25.5 secs Computing kpt #: 353 total cpu time spent up to now is 25.5 secs Computing kpt #: 354 total cpu time spent up to now is 25.6 secs Computing kpt #: 355 total cpu time spent up to now is 25.7 secs Computing kpt #: 356 total cpu time spent up to now is 25.7 secs Computing kpt #: 357 total cpu time spent up to now is 25.8 secs Computing kpt #: 358 total cpu time spent up to now is 25.9 secs Computing kpt #: 359 total cpu time spent up to now is 25.9 secs Computing kpt #: 360 total cpu time spent up to now is 26.0 secs Computing kpt #: 361 total cpu time spent up to now is 26.1 secs Computing kpt #: 362 total cpu time spent up to now is 26.1 secs Computing kpt #: 363 total cpu time spent up to now is 26.2 secs Computing kpt #: 364 total cpu time spent up to now is 26.3 secs Computing kpt #: 365 total cpu time spent up to now is 26.3 secs Computing kpt #: 366 total cpu time spent up to now is 26.4 secs Computing kpt #: 367 total cpu time spent up to now is 26.4 secs Computing kpt #: 368 total cpu time spent up to now is 26.5 secs Computing kpt #: 369 total cpu time spent up to now is 26.6 secs Computing kpt #: 370 total cpu time spent up to now is 26.6 secs Computing kpt #: 371 total cpu time spent up to now is 26.7 secs Computing kpt #: 372 total cpu time spent up to now is 26.8 secs Computing kpt #: 373 total cpu time spent up to now is 26.9 secs Computing kpt #: 374 total cpu time spent up to now is 26.9 secs Computing kpt #: 375 total cpu time spent up to now is 27.0 secs Computing kpt #: 376 total cpu time spent up to now is 27.1 secs Computing kpt #: 377 total cpu time spent up to now is 27.1 secs Computing kpt #: 378 total cpu time spent up to now is 27.2 secs Computing kpt #: 379 total cpu time spent up to now is 27.3 secs Computing kpt #: 380 total cpu time spent up to now is 27.4 secs Computing kpt #: 381 total cpu time spent up to now is 27.5 secs Computing kpt #: 382 total cpu time spent up to now is 27.5 secs Computing kpt #: 383 total cpu time spent up to now is 27.6 secs Computing kpt #: 384 total cpu time spent up to now is 27.7 secs Computing kpt #: 385 total cpu time spent up to now is 27.8 secs Computing kpt #: 386 total cpu time spent up to now is 27.8 secs Computing kpt #: 387 total cpu time spent up to now is 27.9 secs Computing kpt #: 388 total cpu time spent up to now is 28.0 secs Computing kpt #: 389 total cpu time spent up to now is 28.1 secs Computing kpt #: 390 total cpu time spent up to now is 28.1 secs Computing kpt #: 391 total cpu time spent up to now is 28.2 secs Computing kpt #: 392 total cpu time spent up to now is 28.3 secs Computing kpt #: 393 total cpu time spent up to now is 28.3 secs Computing kpt #: 394 total cpu time spent up to now is 28.4 secs Computing kpt #: 395 total cpu time spent up to now is 28.5 secs Computing kpt #: 396 total cpu time spent up to now is 28.5 secs Computing kpt #: 397 total cpu time spent up to now is 28.6 secs Computing kpt #: 398 total cpu time spent up to now is 28.7 secs Computing kpt #: 399 total cpu time spent up to now is 28.8 secs Computing kpt #: 400 total cpu time spent up to now is 28.8 secs Computing kpt #: 401 total cpu time spent up to now is 28.9 secs Computing kpt #: 402 total cpu time spent up to now is 29.0 secs Computing kpt #: 403 total cpu time spent up to now is 29.0 secs Computing kpt #: 404 total cpu time spent up to now is 29.1 secs Computing kpt #: 405 total cpu time spent up to now is 29.2 secs Computing kpt #: 406 total cpu time spent up to now is 29.2 secs Computing kpt #: 407 total cpu time spent up to now is 29.3 secs Computing kpt #: 408 total cpu time spent up to now is 29.4 secs Computing kpt #: 409 total cpu time spent up to now is 29.4 secs Computing kpt #: 410 total cpu time spent up to now is 29.5 secs Computing kpt #: 411 total cpu time spent up to now is 29.6 secs Computing kpt #: 412 total cpu time spent up to now is 29.7 secs Computing kpt #: 413 total cpu time spent up to now is 29.7 secs Computing kpt #: 414 total cpu time spent up to now is 29.8 secs Computing kpt #: 415 total cpu time spent up to now is 29.9 secs Computing kpt #: 416 total cpu time spent up to now is 30.0 secs Computing kpt #: 417 total cpu time spent up to now is 30.0 secs Computing kpt #: 418 total cpu time spent up to now is 30.1 secs Computing kpt #: 419 total cpu time spent up to now is 30.2 secs Computing kpt #: 420 total cpu time spent up to now is 30.3 secs Computing kpt #: 421 total cpu time spent up to now is 30.4 secs Computing kpt #: 422 total cpu time spent up to now is 30.5 secs Computing kpt #: 423 total cpu time spent up to now is 30.6 secs Computing kpt #: 424 total cpu time spent up to now is 30.6 secs Computing kpt #: 425 total cpu time spent up to now is 30.7 secs Computing kpt #: 426 total cpu time spent up to now is 30.8 secs Computing kpt #: 427 total cpu time spent up to now is 30.9 secs Computing kpt #: 428 total cpu time spent up to now is 31.0 secs Computing kpt #: 429 total cpu time spent up to now is 31.0 secs Computing kpt #: 430 total cpu time spent up to now is 31.1 secs Computing kpt #: 431 total cpu time spent up to now is 31.2 secs Computing kpt #: 432 total cpu time spent up to now is 31.2 secs Computing kpt #: 433 total cpu time spent up to now is 31.3 secs Computing kpt #: 434 total cpu time spent up to now is 31.4 secs Computing kpt #: 435 total cpu time spent up to now is 31.5 secs Computing kpt #: 436 total cpu time spent up to now is 31.5 secs Computing kpt #: 437 total cpu time spent up to now is 31.6 secs Computing kpt #: 438 total cpu time spent up to now is 31.7 secs Computing kpt #: 439 total cpu time spent up to now is 31.7 secs Computing kpt #: 440 total cpu time spent up to now is 31.8 secs Computing kpt #: 441 total cpu time spent up to now is 31.9 secs Computing kpt #: 442 total cpu time spent up to now is 31.9 secs Computing kpt #: 443 total cpu time spent up to now is 32.0 secs Computing kpt #: 444 total cpu time spent up to now is 32.1 secs Computing kpt #: 445 total cpu time spent up to now is 32.2 secs Computing kpt #: 446 total cpu time spent up to now is 32.2 secs Computing kpt #: 447 total cpu time spent up to now is 32.3 secs Computing kpt #: 448 total cpu time spent up to now is 32.4 secs Computing kpt #: 449 total cpu time spent up to now is 32.4 secs Computing kpt #: 450 total cpu time spent up to now is 32.5 secs Computing kpt #: 451 total cpu time spent up to now is 32.6 secs Computing kpt #: 452 total cpu time spent up to now is 32.6 secs Computing kpt #: 453 total cpu time spent up to now is 32.7 secs Computing kpt #: 454 total cpu time spent up to now is 32.7 secs Computing kpt #: 455 total cpu time spent up to now is 32.8 secs Computing kpt #: 456 total cpu time spent up to now is 32.9 secs Computing kpt #: 457 total cpu time spent up to now is 32.9 secs Computing kpt #: 458 total cpu time spent up to now is 33.0 secs Computing kpt #: 459 total cpu time spent up to now is 33.1 secs Computing kpt #: 460 total cpu time spent up to now is 33.1 secs Computing kpt #: 461 total cpu time spent up to now is 33.2 secs Computing kpt #: 462 total cpu time spent up to now is 33.3 secs Computing kpt #: 463 total cpu time spent up to now is 33.3 secs Computing kpt #: 464 total cpu time spent up to now is 33.4 secs Computing kpt #: 465 total cpu time spent up to now is 33.5 secs Computing kpt #: 466 total cpu time spent up to now is 33.5 secs Computing kpt #: 467 total cpu time spent up to now is 33.6 secs Computing kpt #: 468 total cpu time spent up to now is 33.7 secs Computing kpt #: 469 total cpu time spent up to now is 33.7 secs Computing kpt #: 470 total cpu time spent up to now is 33.8 secs Computing kpt #: 471 total cpu time spent up to now is 33.9 secs Computing kpt #: 472 total cpu time spent up to now is 33.9 secs Computing kpt #: 473 total cpu time spent up to now is 34.0 secs Computing kpt #: 474 total cpu time spent up to now is 34.1 secs Computing kpt #: 475 total cpu time spent up to now is 34.2 secs Computing kpt #: 476 total cpu time spent up to now is 34.2 secs Computing kpt #: 477 total cpu time spent up to now is 34.3 secs Computing kpt #: 478 total cpu time spent up to now is 34.4 secs Computing kpt #: 479 total cpu time spent up to now is 34.5 secs Computing kpt #: 480 total cpu time spent up to now is 34.5 secs Computing kpt #: 481 total cpu time spent up to now is 34.6 secs Computing kpt #: 482 total cpu time spent up to now is 34.7 secs Computing kpt #: 483 total cpu time spent up to now is 34.7 secs Computing kpt #: 484 total cpu time spent up to now is 34.8 secs Computing kpt #: 485 total cpu time spent up to now is 34.9 secs Computing kpt #: 486 total cpu time spent up to now is 35.0 secs Computing kpt #: 487 total cpu time spent up to now is 35.0 secs Computing kpt #: 488 total cpu time spent up to now is 35.1 secs Computing kpt #: 489 total cpu time spent up to now is 35.2 secs Computing kpt #: 490 total cpu time spent up to now is 35.2 secs Computing kpt #: 491 total cpu time spent up to now is 35.3 secs Computing kpt #: 492 total cpu time spent up to now is 35.4 secs Computing kpt #: 493 total cpu time spent up to now is 35.4 secs Computing kpt #: 494 total cpu time spent up to now is 35.5 secs Computing kpt #: 495 total cpu time spent up to now is 35.6 secs Computing kpt #: 496 total cpu time spent up to now is 35.6 secs Computing kpt #: 497 total cpu time spent up to now is 35.7 secs Computing kpt #: 498 total cpu time spent up to now is 35.8 secs Computing kpt #: 499 total cpu time spent up to now is 35.8 secs Computing kpt #: 500 total cpu time spent up to now is 35.9 secs Computing kpt #: 501 total cpu time spent up to now is 36.0 secs Computing kpt #: 502 total cpu time spent up to now is 36.0 secs Computing kpt #: 503 total cpu time spent up to now is 36.1 secs Computing kpt #: 504 total cpu time spent up to now is 36.2 secs Computing kpt #: 505 total cpu time spent up to now is 36.2 secs Computing kpt #: 506 total cpu time spent up to now is 36.4 secs Computing kpt #: 507 total cpu time spent up to now is 36.4 secs Computing kpt #: 508 total cpu time spent up to now is 36.5 secs Computing kpt #: 509 total cpu time spent up to now is 36.6 secs Computing kpt #: 510 total cpu time spent up to now is 36.6 secs Computing kpt #: 511 total cpu time spent up to now is 36.7 secs Computing kpt #: 512 total cpu time spent up to now is 36.8 secs Computing kpt #: 513 total cpu time spent up to now is 36.8 secs Computing kpt #: 514 total cpu time spent up to now is 36.9 secs Computing kpt #: 515 total cpu time spent up to now is 37.0 secs Computing kpt #: 516 total cpu time spent up to now is 37.0 secs Computing kpt #: 517 total cpu time spent up to now is 37.1 secs Computing kpt #: 518 total cpu time spent up to now is 37.2 secs Computing kpt #: 519 total cpu time spent up to now is 37.2 secs Computing kpt #: 520 total cpu time spent up to now is 37.3 secs Computing kpt #: 521 total cpu time spent up to now is 37.3 secs Computing kpt #: 522 total cpu time spent up to now is 37.4 secs Computing kpt #: 523 total cpu time spent up to now is 37.5 secs Computing kpt #: 524 total cpu time spent up to now is 37.5 secs Computing kpt #: 525 total cpu time spent up to now is 37.6 secs Computing kpt #: 526 total cpu time spent up to now is 37.7 secs Computing kpt #: 527 total cpu time spent up to now is 37.8 secs Computing kpt #: 528 total cpu time spent up to now is 37.8 secs Computing kpt #: 529 total cpu time spent up to now is 37.9 secs Computing kpt #: 530 total cpu time spent up to now is 38.0 secs Computing kpt #: 531 total cpu time spent up to now is 38.0 secs Computing kpt #: 532 total cpu time spent up to now is 38.1 secs Computing kpt #: 533 total cpu time spent up to now is 38.2 secs Computing kpt #: 534 total cpu time spent up to now is 38.3 secs Computing kpt #: 535 total cpu time spent up to now is 38.3 secs Computing kpt #: 536 total cpu time spent up to now is 38.4 secs ethr = 6.25E-08, avg # of iterations = 10.3 total cpu time spent up to now is 38.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1211 PWs) bands (ev): -53.2555 -53.2555 -25.0706 -25.0706 -24.0865 -24.0865 -24.0865 -24.0865 4.7595 4.7595 16.3335 16.3335 16.3335 16.3335 16.3769 16.3769 18.5320 18.5320 18.5320 18.5320 20.0849 20.0849 37.3326 37.3326 k = 0.0061-0.0035 0.0050 ( 1215 PWs) bands (ev): -53.2568 -53.2568 -25.0709 -25.0709 -24.0871 -24.0871 -24.0866 -24.0866 4.7609 4.7609 16.3281 16.3281 16.3331 16.3331 16.3744 16.3744 18.5185 18.5185 18.5324 18.5324 20.0932 20.0932 37.2885 37.2885 k = 0.0122-0.0070 0.0100 ( 1219 PWs) bands (ev): -53.2580 -53.2580 -25.0714 -25.0714 -24.0879 -24.0879 -24.0871 -24.0871 4.7656 4.7656 16.3067 16.3067 16.3314 16.3314 16.3682 16.3682 18.5147 18.5147 18.5335 18.5335 20.1179 20.1179 37.1725 37.1725 k = 0.0183-0.0106 0.0149 ( 1219 PWs) bands (ev): -53.2577 -53.2577 -25.0721 -25.0721 -24.0889 -24.0889 -24.0875 -24.0875 4.7739 4.7739 16.2737 16.2737 16.3352 16.3352 16.3688 16.3688 18.5086 18.5086 18.5354 18.5354 20.1584 20.1584 37.0132 37.0132 k = 0.0244-0.0141 0.0199 ( 1219 PWs) bands (ev): -53.2574 -53.2574 -25.0729 -25.0729 -24.0897 -24.0897 -24.0885 -24.0885 4.7855 4.7855 16.2240 16.2240 16.3457 16.3457 16.3774 16.3774 18.5063 18.5063 18.5206 18.5206 20.2137 20.2137 36.8309 36.8309 k = 0.0305-0.0176 0.0249 ( 1211 PWs) bands (ev): -53.2544 -53.2544 -25.0736 -25.0736 -24.0908 -24.0908 -24.0888 -24.0888 4.8009 4.8009 16.1658 16.1658 16.3608 16.3608 16.3916 16.3916 18.4964 18.4964 18.5271 18.5271 20.2831 20.2831 36.6371 36.6371 k = 0.0366-0.0211 0.0299 ( 1211 PWs) bands (ev): -53.2540 -53.2540 -25.0749 -25.0749 -24.0928 -24.0928 -24.0897 -24.0897 4.8191 4.8191 16.0940 16.0940 16.3689 16.3689 16.3993 16.3993 18.4830 18.4830 18.5310 18.5310 20.3646 20.3646 36.4376 36.4376 k = 0.0427-0.0246 0.0349 ( 1203 PWs) bands (ev): -53.2508 -53.2508 -25.0761 -25.0761 -24.0949 -24.0949 -24.0901 -24.0901 4.8411 4.8411 16.0132 16.0132 16.3848 16.3848 16.4149 16.4149 18.4678 18.4678 18.5484 18.5484 20.4573 20.4573 36.2358 36.2358 k = 0.0488-0.0282 0.0398 ( 1203 PWs) bands (ev): -53.2502 -53.2502 -25.0779 -25.0779 -24.0976 -24.0976 -24.0913 -24.0913 4.8659 4.8659 15.9235 15.9235 16.3959 16.3959 16.4259 16.4259 18.4497 18.4497 18.5536 18.5536 20.5598 20.5598 36.0336 36.0336 k = 0.0549-0.0317 0.0448 ( 1203 PWs) bands (ev): -53.2495 -53.2495 -25.0800 -25.0800 -24.1007 -24.1007 -24.0926 -24.0926 4.8939 4.8939 15.8267 15.8267 16.4086 16.4086 16.4385 16.4385 18.4293 18.4293 18.5596 18.5596 20.6708 20.6708 35.8322 35.8322 k = 0.0610-0.0352 0.0498 ( 1203 PWs) bands (ev): -53.2486 -53.2486 -25.0823 -25.0823 -24.1041 -24.1041 -24.0940 -24.0940 4.9252 4.9252 15.7241 15.7241 16.4228 16.4228 16.4527 16.4527 18.4065 18.4065 18.5663 18.5663 20.7893 20.7893 35.6324 35.6324 k = 0.0671-0.0387 0.0548 ( 1203 PWs) bands (ev): -53.2477 -53.2477 -25.0848 -25.0848 -24.1079 -24.1079 -24.0956 -24.0956 4.9598 4.9598 15.6165 15.6165 16.4385 16.4385 16.4685 16.4685 18.3814 18.3814 18.5738 18.5738 20.9143 20.9143 35.4348 35.4348 k = 0.0732-0.0422 0.0597 ( 1199 PWs) bands (ev): -53.2453 -53.2453 -25.0873 -25.0873 -24.1119 -24.1119 -24.0970 -24.0970 4.9977 4.9977 15.5100 15.5100 16.4571 16.4571 16.4872 16.4872 18.3559 18.3559 18.5819 18.5819 21.0470 21.0470 35.2399 35.2399 k = 0.0793-0.0458 0.0647 ( 1199 PWs) bands (ev): -53.2442 -53.2442 -25.0903 -25.0903 -24.1163 -24.1163 -24.0988 -24.0988 5.0386 5.0386 15.3948 15.3948 16.4759 16.4759 16.5061 16.5061 18.3261 18.3261 18.5908 18.5908 21.1824 21.1824 35.0478 35.0478 k = 0.0854-0.0493 0.0697 ( 1199 PWs) bands (ev): -53.2430 -53.2430 -25.0934 -25.0934 -24.1210 -24.1210 -24.1008 -24.1008 5.0827 5.0827 15.2770 15.2770 16.4962 16.4962 16.5265 16.5265 18.2940 18.2940 18.6003 18.6003 21.3219 21.3219 34.8586 34.8586 k = 0.0915-0.0528 0.0747 ( 1199 PWs) bands (ev): -53.2417 -53.2417 -25.0968 -25.0968 -24.1260 -24.1260 -24.1029 -24.1029 5.1299 5.1299 15.1571 15.1571 16.5180 16.5180 16.5485 16.5485 18.2595 18.2595 18.6105 18.6105 21.4647 21.4647 34.6727 34.6727 k = 0.0976-0.0563 0.0797 ( 1195 PWs) bands (ev): -53.2390 -53.2390 -25.1002 -25.1002 -24.1309 -24.1309 -24.1052 -24.1052 5.1805 5.1805 15.0356 15.0356 16.5420 16.5420 16.5727 16.5727 18.2353 18.2353 18.6215 18.6215 21.6104 21.6104 34.4909 34.4909 k = 0.1037-0.0598 0.0846 ( 1195 PWs) bands (ev): -53.2375 -53.2375 -25.1040 -25.1040 -24.1365 -24.1365 -24.1075 -24.1075 5.2339 5.2339 14.9130 14.9130 16.5669 16.5669 16.5977 16.5977 18.1959 18.1959 18.6330 18.6330 21.7585 21.7585 34.3117 34.3117 k = 0.1098-0.0634 0.0896 ( 1195 PWs) bands (ev): -53.2359 -53.2359 -25.1081 -25.1081 -24.1424 -24.1424 -24.1100 -24.1100 5.2903 5.2903 14.7896 14.7896 16.5932 16.5932 16.6243 16.6243 18.1542 18.1542 18.6452 18.6452 21.9085 21.9085 34.1359 34.1359 k = 0.1159-0.0669 0.0946 ( 1195 PWs) bands (ev): -53.2343 -53.2343 -25.1123 -25.1123 -24.1485 -24.1485 -24.1127 -24.1127 5.3498 5.3498 14.6658 14.6658 16.6211 16.6211 16.6524 16.6524 18.1102 18.1102 18.6580 18.6580 22.0601 22.0601 33.9635 33.9635 k = 0.1220-0.0704 0.0996 ( 1187 PWs) bands (ev): -53.2300 -53.2300 -25.1163 -25.1163 -24.1542 -24.1542 -24.1151 -24.1151 5.4128 5.4128 14.5423 14.5423 16.6583 16.6583 16.6898 16.6898 18.0694 18.0694 18.6735 18.6735 22.2133 22.2133 33.7949 33.7949 k = 0.1280-0.0739 0.1046 ( 1187 PWs) bands (ev): -53.2282 -53.2282 -25.1209 -25.1209 -24.1608 -24.1608 -24.1180 -24.1180 5.4781 5.4781 14.4184 14.4184 16.6890 16.6890 16.7207 16.7207 18.0209 18.0209 18.6874 18.6874 22.3670 22.3670 33.6293 33.6293 k = 0.1341-0.0774 0.1095 ( 1187 PWs) bands (ev): -53.2263 -53.2263 -25.1257 -25.1257 -24.1676 -24.1676 -24.1209 -24.1209 5.5464 5.5464 14.2947 14.2947 16.7212 16.7212 16.7532 16.7532 17.9701 17.9701 18.7020 18.7020 22.5212 22.5212 33.4669 33.4669 k = 0.1402-0.0810 0.1145 ( 1187 PWs) bands (ev): -53.2244 -53.2244 -25.1306 -25.1306 -24.1746 -24.1746 -24.1240 -24.1240 5.6176 5.6176 14.1716 14.1716 16.7548 16.7548 16.7871 16.7871 17.9173 17.9173 18.7171 18.7171 22.6758 22.6758 33.3077 33.3077 k = 0.1463-0.0845 0.1195 ( 1187 PWs) bands (ev): -53.2224 -53.2224 -25.1357 -25.1357 -24.1819 -24.1819 -24.1271 -24.1271 5.6915 5.6915 14.0492 14.0492 16.7899 16.7899 16.8226 16.8226 17.8623 17.8623 18.7327 18.7327 22.8305 22.8305 33.1516 33.1516 k = 0.1524-0.0880 0.1245 ( 1187 PWs) bands (ev): -53.2203 -53.2203 -25.1410 -25.1410 -24.1892 -24.1892 -24.1303 -24.1303 5.7683 5.7683 13.9276 13.9276 16.8264 16.8264 16.8594 16.8594 17.8053 17.8053 18.7489 18.7489 22.9850 22.9850 32.9985 32.9985 k = 0.1585-0.0915 0.1294 ( 1179 PWs) bands (ev): -53.2156 -53.2156 -25.1461 -25.1461 -24.1963 -24.1963 -24.1332 -24.1332 5.8482 5.8482 13.8077 13.8077 16.8721 16.8721 16.9055 16.9055 17.7464 17.7464 18.7726 18.7726 23.1403 23.1403 32.8482 32.8482 k = 0.1646-0.0951 0.1344 ( 1179 PWs) bands (ev): -53.2134 -53.2134 -25.1516 -25.1516 -24.2040 -24.2040 -24.1366 -24.1366 5.9304 5.9304 13.6880 13.6880 16.9113 16.9113 16.9452 16.9452 17.6855 17.6855 18.7896 18.7896 23.2939 23.2939 32.7006 32.7006 k = 0.1707-0.0986 0.1394 ( 1179 PWs) bands (ev): -53.2111 -53.2111 -25.1574 -25.1574 -24.2119 -24.2119 -24.1401 -24.1401 6.0152 6.0152 13.5696 13.5696 16.9519 16.9519 16.9863 16.9863 17.6226 17.6226 18.8071 18.8071 23.4469 23.4469 32.5555 32.5555 k = 0.1768-0.1021 0.1444 ( 1179 PWs) bands (ev): -53.2088 -53.2088 -25.1632 -25.1632 -24.2198 -24.2198 -24.1437 -24.1437 6.1025 6.1025 13.4525 13.4525 16.9938 16.9938 17.0289 17.0289 17.5581 17.5581 18.8250 18.8250 23.5989 23.5989 32.4127 32.4127 k = 0.1829-0.1056 0.1494 ( 1171 PWs) bands (ev): -53.2038 -53.2038 -25.1689 -25.1689 -24.2276 -24.2276 -24.1466 -24.1466 6.1928 6.1928 13.3427 13.3427 17.0374 17.0374 17.0733 17.0733 17.4976 17.4976 18.8497 18.8497 23.7591 23.7591 32.2746 32.2746 k = 0.1890-0.1091 0.1543 ( 1171 PWs) bands (ev): -53.2014 -53.2014 -25.1750 -25.1750 -24.2358 -24.2358 -24.1503 -24.1503 6.2852 6.2852 13.2283 13.2283 17.0815 17.0815 17.1187 17.1187 17.4299 17.4299 18.8684 18.8684 23.9091 23.9091 32.1361 32.1361 k = 0.1951-0.1127 0.1593 ( 1170 PWs) bands (ev): -53.1986 -53.1986 -25.1811 -25.1811 -24.2439 -24.2439 -24.1540 -24.1540 6.3801 6.3801 13.1153 13.1153 17.1259 17.1259 17.1653 17.1653 17.3643 17.3643 18.8874 18.8874 24.0577 24.0577 32.0007 32.0007 k = 0.2012-0.1162 0.1643 ( 1170 PWs) bands (ev): -53.1961 -53.1961 -25.1875 -25.1875 -24.2522 -24.2522 -24.1578 -24.1578 6.4772 6.4772 13.0040 13.0040 17.1677 17.1677 17.2134 17.2134 17.2981 17.2981 18.9068 18.9068 24.2048 24.2048 31.8655 31.8655 k = 0.2073-0.1197 0.1693 ( 1178 PWs) bands (ev): -53.1962 -53.1962 -25.1943 -25.1943 -24.2613 -24.2613 -24.1619 -24.1619 6.5765 6.5765 12.8937 12.8937 17.1747 17.1747 17.2519 17.2519 17.2548 17.2548 18.9259 18.9259 24.3493 24.3493 31.7289 31.7289 k = 0.2134-0.1232 0.1743 ( 1182 PWs) bands (ev): -53.1949 -53.1949 -25.2011 -25.2011 -24.2700 -24.2700 -24.1658 -24.1658 6.6780 6.6780 12.7858 12.7858 17.1138 17.1138 17.2778 17.2778 17.3027 17.3027 18.9456 18.9456 24.4929 24.4929 31.5927 31.5927 k = 0.2195-0.1267 0.1792 ( 1182 PWs) bands (ev): -53.1924 -53.1924 -25.2076 -25.2076 -24.2785 -24.2785 -24.1697 -24.1697 6.7819 6.7819 12.6796 12.6796 17.0413 17.0413 17.3250 17.3250 17.3543 17.3543 18.9657 18.9657 24.6345 24.6345 31.4605 31.4605 k = 0.2256-0.1303 0.1842 ( 1182 PWs) bands (ev): -53.1899 -53.1899 -25.2143 -25.2143 -24.2869 -24.2869 -24.1736 -24.1736 6.8878 6.8878 12.5753 12.5753 16.9649 16.9649 17.3759 17.3759 17.4071 17.4071 18.9861 18.9861 24.7741 24.7741 31.3289 31.3289 k = 0.2317-0.1338 0.1892 ( 1182 PWs) bands (ev): -53.1873 -53.1873 -25.2210 -25.2210 -24.2953 -24.2953 -24.1776 -24.1776 6.9959 6.9959 12.4728 12.4728 16.8865 16.8865 17.4287 17.4287 17.4611 17.4611 19.0067 19.0067 24.9116 24.9116 31.1977 31.1977 k = 0.2378-0.1373 0.1942 ( 1182 PWs) bands (ev): -53.1847 -53.1847 -25.2277 -25.2277 -24.3038 -24.3038 -24.1815 -24.1815 7.1059 7.1059 12.3722 12.3722 16.8066 16.8066 17.4830 17.4830 17.5162 17.5162 19.0275 19.0275 25.0468 25.0468 31.0669 31.0669 k = 0.2439-0.1408 0.1991 ( 1174 PWs) bands (ev): -53.1795 -53.1795 -25.2341 -25.2341 -24.3116 -24.3116 -24.1854 -24.1854 7.2187 7.2187 12.2737 12.2737 16.7334 16.7334 17.5452 17.5452 17.5790 17.5790 19.0497 19.0497 25.1800 25.1800 30.9422 30.9422 k = 0.2500-0.1443 0.2041 ( 1174 PWs) bands (ev): -53.1769 -53.1769 -25.2409 -25.2409 -24.3199 -24.3199 -24.1894 -24.1894 7.3325 7.3325 12.1770 12.1770 16.6507 16.6507 17.6019 17.6019 17.6362 17.6362 19.0707 19.0707 25.3104 25.3104 30.8115 30.8115 k = 0.2561-0.1479 0.2091 ( 1174 PWs) bands (ev): -53.1743 -53.1743 -25.2477 -25.2477 -24.3282 -24.3282 -24.1933 -24.1933 7.4479 7.4479 12.0823 12.0823 16.5670 16.5670 17.6597 17.6597 17.6944 17.6944 19.0917 19.0917 25.4383 25.4383 30.6807 30.6807 k = 0.2622-0.1514 0.2141 ( 1174 PWs) bands (ev): -53.1717 -53.1717 -25.2545 -25.2545 -24.3365 -24.3365 -24.1973 -24.1973 7.5651 7.5651 11.9897 11.9897 16.4824 16.4824 17.7185 17.7185 17.7537 17.7537 19.1128 19.1128 25.5635 25.5635 30.5496 30.5496 k = 0.2683-0.1549 0.2191 ( 1182 PWs) bands (ev): -53.1717 -53.1717 -25.2618 -25.2618 -24.3452 -24.3452 -24.2016 -24.2016 7.6836 7.6836 11.8978 11.8978 16.3953 16.3953 17.7682 17.7682 17.8037 17.8037 19.1331 19.1331 25.6822 25.6822 30.4174 30.4174 k = 0.2744-0.1584 0.2240 ( 1182 PWs) bands (ev): -53.1691 -53.1691 -25.2686 -25.2686 -24.3533 -24.3533 -24.2056 -24.2056 7.8039 7.8039 11.8093 11.8093 16.3090 16.3090 17.8286 17.8286 17.8645 17.8645 19.1541 19.1541 25.8019 25.8019 30.2855 30.2855 k = 0.2805-0.1619 0.2290 ( 1182 PWs) bands (ev): -53.1666 -53.1666 -25.2754 -25.2754 -24.3613 -24.3613 -24.2095 -24.2095 7.9256 7.9256 11.7230 11.7230 16.2221 16.2221 17.8899 17.8899 17.9261 17.9261 19.1751 19.1751 25.9187 25.9187 30.1532 30.1532 k = 0.2866-0.1655 0.2340 ( 1182 PWs) bands (ev): -53.1640 -53.1640 -25.2821 -25.2821 -24.3692 -24.3692 -24.2134 -24.2134 8.0486 8.0486 11.6388 11.6388 16.1346 16.1346 17.9519 17.9519 17.9885 17.9885 19.1961 19.1961 26.0326 26.0326 30.0205 30.0205 k = 0.2927-0.1690 0.2390 ( 1182 PWs) bands (ev): -53.1615 -53.1615 -25.2888 -25.2888 -24.3770 -24.3770 -24.2172 -24.2172 8.1729 8.1729 11.5568 11.5568 16.0464 16.0464 18.0146 18.0146 18.0515 18.0515 19.2169 19.2169 26.1436 26.1436 29.8875 29.8875 k = 0.2988-0.1725 0.2440 ( 1182 PWs) bands (ev): -53.1589 -53.1589 -25.2955 -25.2955 -24.3846 -24.3846 -24.2210 -24.2210 8.2983 8.2983 11.4769 11.4769 15.9578 15.9578 18.0780 18.0780 18.1151 18.1151 19.2376 19.2376 26.2516 26.2516 29.7542 29.7542 k = 0.3049-0.1760 0.2489 ( 1170 PWs) bands (ev): -53.1526 -53.1526 -25.3014 -25.3014 -24.3914 -24.3914 -24.2243 -24.2243 8.4260 8.4260 11.4000 11.4000 15.8707 15.8707 18.1563 18.1563 18.1936 18.1936 19.2629 19.2629 26.3595 26.3595 29.6228 29.6228 k = 0.3110-0.1795 0.2539 ( 1166 PWs) bands (ev): -53.1489 -53.1489 -25.3077 -25.3077 -24.3986 -24.3986 -24.2279 -24.2279 8.5537 8.5537 11.3246 11.3246 15.7811 15.7811 18.2250 18.2250 18.2626 18.2626 19.2873 19.2873 26.4614 26.4614 29.4894 29.4894 k = 0.3171-0.1831 0.2589 ( 1174 PWs) bands (ev): -53.1492 -53.1492 -25.3147 -25.3147 -24.4065 -24.4065 -24.2317 -24.2317 8.6819 8.6819 11.2513 11.2513 15.6815 15.6815 18.2831 18.2831 18.3208 18.3208 19.3069 19.3069 26.5596 26.5596 29.3477 29.3477 k = 0.3232-0.1866 0.2639 ( 1174 PWs) bands (ev): -53.1469 -53.1469 -25.3210 -25.3210 -24.4135 -24.4135 -24.2353 -24.2353 8.8109 8.8109 11.1804 11.1804 15.5911 15.5911 18.3477 18.3477 18.3856 18.3856 19.3266 19.3266 26.6551 26.6551 29.2146 29.2146 k = 0.3293-0.1901 0.2688 ( 1174 PWs) bands (ev): -53.1447 -53.1447 -25.3272 -25.3272 -24.4204 -24.4204 -24.2388 -24.2388 8.9407 8.9407 11.1118 11.1118 15.5004 15.5004 18.4125 18.4125 18.4506 18.4506 19.3459 19.3459 26.7475 26.7475 29.0821 29.0821 k = 0.3354-0.1936 0.2738 ( 1174 PWs) bands (ev): -53.1424 -53.1424 -25.3333 -25.3333 -24.4271 -24.4271 -24.2422 -24.2422 9.0710 9.0710 11.0455 11.0455 15.4094 15.4094 18.4774 18.4774 18.5157 18.5157 19.3649 19.3649 26.8367 26.8367 28.9505 28.9505 k = 0.3415-0.1971 0.2788 ( 1174 PWs) bands (ev): -53.1403 -53.1403 -25.3393 -25.3393 -24.4336 -24.4336 -24.2456 -24.2456 9.2018 9.2018 10.9815 10.9815 15.3181 15.3181 18.5422 18.5422 18.5806 18.5806 19.3835 19.3835 26.9226 26.9226 28.8199 28.8199 k = 0.3476-0.2007 0.2838 ( 1174 PWs) bands (ev): -53.1381 -53.1381 -25.3451 -25.3451 -24.4400 -24.4400 -24.2489 -24.2489 9.3328 9.3328 10.9198 10.9198 15.2266 15.2266 18.6068 18.6068 18.6454 18.6454 19.4018 19.4018 27.0054 27.0054 28.6908 28.6908 k = 0.3537-0.2042 0.2888 ( 1174 PWs) bands (ev): -53.1360 -53.1360 -25.3508 -25.3508 -24.4461 -24.4461 -24.2521 -24.2521 9.4641 9.4641 10.8604 10.8604 15.1348 15.1348 18.6711 18.6711 18.7098 18.7098 19.4197 19.4197 27.0848 27.0848 28.5634 28.5634 k = 0.3598-0.2077 0.2937 ( 1174 PWs) bands (ev): -53.1341 -53.1341 -25.3564 -25.3564 -24.4521 -24.4521 -24.2551 -24.2551 9.5959 9.5959 10.8037 10.8037 15.0372 15.0372 18.7389 18.7389 18.7776 18.7776 19.4371 19.4371 27.1622 27.1622 28.4318 28.4318 k = 0.3659-0.2112 0.2987 ( 1182 PWs) bands (ev): -53.1347 -53.1347 -25.3621 -25.3621 -24.4583 -24.4583 -24.2586 -24.2586 9.7272 9.7272 10.7469 10.7469 14.9448 14.9448 18.7933 18.7933 18.8321 18.8321 19.4490 19.4490 27.2261 27.2261 28.3070 28.3070 k = 0.3720-0.2147 0.3037 ( 1182 PWs) bands (ev): -53.1329 -53.1329 -25.3673 -25.3673 -24.4638 -24.4638 -24.2615 -24.2615 9.8584 9.8584 10.6946 10.6946 14.8523 14.8523 18.8555 18.8555 18.8943 18.8943 19.4654 19.4654 27.2956 27.2956 28.1861 28.1861 k = 0.3780-0.2183 0.3087 ( 1182 PWs) bands (ev): -53.1311 -53.1311 -25.3723 -25.3723 -24.4690 -24.4690 -24.2643 -24.2643 9.9892 9.9892 10.6447 10.6447 14.7597 14.7597 18.9168 18.9168 18.9556 18.9556 19.4812 19.4812 27.3618 27.3618 28.0682 28.0682 k = 0.3841-0.2218 0.3137 ( 1182 PWs) bands (ev): -53.1294 -53.1294 -25.3771 -25.3771 -24.4741 -24.4741 -24.2670 -24.2670 10.1197 10.1197 10.5972 10.5972 14.6668 14.6668 18.9771 18.9771 19.0158 19.0158 19.4965 19.4965 27.4247 27.4247 27.9535 27.9535 k = 0.3902-0.2253 0.3186 ( 1190 PWs) bands (ev): -53.1303 -53.1303 -25.3820 -25.3820 -24.4793 -24.4793 -24.2702 -24.2702 10.2495 10.2495 10.5505 10.5505 14.5733 14.5733 19.0292 19.0292 19.0679 19.0679 19.4997 19.4997 27.4778 27.4778 27.8387 27.8387 k = 0.3963-0.2288 0.3236 ( 1190 PWs) bands (ev): -53.1288 -53.1288 -25.3865 -25.3865 -24.4839 -24.4839 -24.2727 -24.2727 10.3786 10.3786 10.5077 10.5077 14.4801 14.4801 19.0866 19.0866 19.1251 19.1251 19.5137 19.5137 27.5341 27.5341 27.7314 27.7314 k = 0.4024-0.2323 0.3286 ( 1178 PWs) bands (ev): -53.1234 -53.1234 -25.3902 -25.3902 -24.4877 -24.4877 -24.2741 -24.2741 10.4717 10.4717 10.5068 10.5068 14.3893 14.3893 19.1466 19.1466 19.1849 19.1849 19.5398 19.5398 27.6091 27.6091 27.6386 27.6386 k = 0.4085-0.2359 0.3336 ( 1178 PWs) bands (ev): -53.1220 -53.1220 -25.3942 -25.3942 -24.4918 -24.4918 -24.2763 -24.2763 10.4338 10.4338 10.6339 10.6339 14.2958 14.2958 19.2005 19.2005 19.2385 19.2385 19.5525 19.5525 27.5400 27.5400 27.6588 27.6588 k = 0.4146-0.2394 0.3385 ( 1170 PWs) bands (ev): -53.1181 -53.1181 -25.3976 -25.3976 -24.4952 -24.4952 -24.2779 -24.2779 10.4002 10.4002 10.7599 10.7599 14.2024 14.2024 19.2620 19.2620 19.2996 19.2996 19.5659 19.5659 27.4468 27.4468 27.7173 27.7173 k = 0.4207-0.2429 0.3435 ( 1170 PWs) bands (ev): -53.1169 -53.1169 -25.4011 -25.4011 -24.4989 -24.4989 -24.2799 -24.2799 10.3670 10.3670 10.8841 10.8841 14.1091 14.1091 19.3115 19.3115 19.3485 19.3485 19.5773 19.5773 27.3581 27.3581 27.7605 27.7605 k = 0.4268-0.2464 0.3485 ( 1170 PWs) bands (ev): -53.1157 -53.1157 -25.4044 -25.4044 -24.5022 -24.5022 -24.2817 -24.2817 10.3363 10.3363 11.0065 11.0065 14.0160 14.0160 19.3584 19.3584 19.3948 19.3948 19.5882 19.5882 27.2748 27.2748 27.8004 27.8004 k = 0.4329-0.2500 0.3535 ( 1170 PWs) bands (ev): -53.1147 -53.1147 -25.4074 -25.4074 -24.5053 -24.5053 -24.2834 -24.2834 10.3080 10.3080 11.1267 11.1267 13.9233 13.9233 19.4026 19.4026 19.4381 19.4381 19.5987 19.5987 27.1972 27.1972 27.8370 27.8370 k = 0.4390-0.2535 0.3585 ( 1170 PWs) bands (ev): -53.1137 -53.1137 -25.4102 -25.4102 -24.5081 -24.5081 -24.2850 -24.2850 10.2821 10.2821 11.2444 11.2444 13.8312 13.8312 19.4438 19.4438 19.4780 19.4780 19.6087 19.6087 27.1255 27.1255 27.8705 27.8705 k = 0.4451-0.2570 0.3634 ( 1170 PWs) bands (ev): -53.1128 -53.1128 -25.4128 -25.4128 -24.5107 -24.5107 -24.2864 -24.2864 10.2587 10.2587 11.3590 11.3590 13.7403 13.7403 19.4819 19.4819 19.5142 19.5142 19.6185 19.6185 27.0598 27.0598 27.9007 27.9007 k = 0.4512-0.2605 0.3684 ( 1162 PWs) bands (ev): -53.1095 -53.1095 -25.4145 -25.4145 -24.5124 -24.5124 -24.2876 -24.2876 10.2378 10.2378 11.4722 11.4722 13.6581 13.6581 19.5206 19.5206 19.5495 19.5495 19.6292 19.6292 27.0156 27.0156 27.9279 27.9279 k = 0.4573-0.2640 0.3734 ( 1162 PWs) bands (ev): -53.1088 -53.1088 -25.4165 -25.4165 -24.5144 -24.5144 -24.2887 -24.2887 10.2193 10.2193 11.5784 11.5784 13.5709 13.5709 19.5517 19.5517 19.5757 19.5757 19.6404 19.6404 26.9625 26.9625 27.9517 27.9517 k = 0.4634-0.2676 0.3784 ( 1162 PWs) bands (ev): -53.1082 -53.1082 -25.4183 -25.4183 -24.5162 -24.5162 -24.2897 -24.2897 10.2033 10.2033 11.6789 11.6789 13.4871 13.4871 19.5791 19.5791 19.5957 19.5957 19.6532 19.6532 26.9160 26.9160 27.9723 27.9723 k = 0.4695-0.2711 0.3834 ( 1162 PWs) bands (ev): -53.1077 -53.1077 -25.4198 -25.4198 -24.5177 -24.5177 -24.2905 -24.2905 10.1897 10.1897 11.7721 11.7721 13.4083 13.4083 19.6025 19.6025 19.6098 19.6098 19.6672 19.6672 26.8765 26.8765 27.9358 27.9358 k = 0.4756-0.2746 0.3883 ( 1162 PWs) bands (ev): -53.1073 -53.1073 -25.4210 -25.4210 -24.5189 -24.5189 -24.2912 -24.2912 10.1786 10.1786 11.8557 11.8557 13.3364 13.3364 19.6192 19.6192 19.6219 19.6219 19.6810 19.6810 26.8439 26.8439 27.9004 27.9004 k = 0.4817-0.2781 0.3933 ( 1162 PWs) bands (ev): -53.1070 -53.1070 -25.4220 -25.4220 -24.5199 -24.5199 -24.2917 -24.2917 10.1699 10.1699 11.9270 11.9270 13.2744 13.2744 19.6254 19.6254 19.6371 19.6371 19.6930 19.6930 26.8185 26.8185 27.8727 27.8727 k = 0.4878-0.2816 0.3983 ( 1162 PWs) bands (ev): -53.1068 -53.1068 -25.4226 -25.4226 -24.5206 -24.5206 -24.2921 -24.2921 10.1638 10.1638 11.9823 11.9823 13.2258 13.2258 19.6294 19.6294 19.6480 19.6480 19.7021 19.7021 26.8003 26.8003 27.8529 27.8529 k = 0.4939-0.2852 0.4033 ( 1162 PWs) bands (ev): -53.1067 -53.1067 -25.4230 -25.4230 -24.5210 -24.5210 -24.2923 -24.2923 10.1601 10.1601 12.0177 12.0177 13.1944 13.1944 19.6316 19.6316 19.6546 19.6546 19.7078 19.7078 26.7893 26.7893 27.8410 27.8410 k = 0.5000-0.2887 0.4082 ( 1162 PWs) bands (ev): -53.1066 -53.1066 -25.4232 -25.4232 -24.5211 -24.5211 -24.2924 -24.2924 10.1588 10.1588 12.0299 12.0299 13.1835 13.1835 19.6323 19.6323 19.6568 19.6568 19.7097 19.7097 26.7857 26.7857 27.8370 27.8370 k = 0.5000-0.2887 0.4082 ( 1162 PWs) bands (ev): -53.1066 -53.1066 -25.4232 -25.4232 -24.5211 -24.5211 -24.2924 -24.2924 10.1588 10.1588 12.0299 12.0299 13.1835 13.1835 19.6323 19.6323 19.6568 19.6568 19.7097 19.7097 26.7857 26.7857 27.8370 27.8370 k = 0.5000-0.2816 0.4132 ( 1162 PWs) bands (ev): -53.1066 -53.1066 -25.4231 -25.4231 -24.5211 -24.5211 -24.2925 -24.2925 10.1593 10.1593 12.0289 12.0289 13.1848 13.1848 19.6309 19.6309 19.6578 19.6578 19.7102 19.7102 26.7852 26.7852 27.7640 27.7640 k = 0.5000-0.2746 0.4182 ( 1162 PWs) bands (ev): -53.1066 -53.1066 -25.4230 -25.4230 -24.5210 -24.5210 -24.2927 -24.2927 10.1609 10.1609 12.0259 12.0259 13.1887 13.1887 19.6267 19.6267 19.6605 19.6605 19.7122 19.7122 26.7837 26.7837 27.6156 27.6156 k = 0.5000-0.2676 0.4232 ( 1162 PWs) bands (ev): -53.1066 -53.1066 -25.4228 -25.4228 -24.5209 -24.5209 -24.2931 -24.2931 10.1635 10.1635 12.0210 12.0210 13.1951 13.1951 19.6192 19.6192 19.6644 19.6644 19.7165 19.7165 26.7814 26.7814 27.4571 27.4571 k = 0.5000-0.2605 0.4282 ( 1162 PWs) bands (ev): -53.1065 -53.1065 -25.4226 -25.4226 -24.5207 -24.5207 -24.2937 -24.2937 10.1671 10.1671 12.0141 12.0141 13.2041 13.2041 19.6083 19.6083 19.6685 19.6685 19.7245 19.7245 26.7780 26.7780 27.2976 27.2976 k = 0.5000-0.2535 0.4331 ( 1164 PWs) bands (ev): -53.1072 -53.1072 -25.4223 -25.4223 -24.5206 -24.5206 -24.2945 -24.2945 10.1717 10.1717 12.0053 12.0053 13.2153 13.2153 19.5885 19.5885 19.6713 19.6713 19.7354 19.7354 26.7718 26.7718 27.1387 27.1387 k = 0.5000-0.2464 0.4381 ( 1168 PWs) bands (ev): -53.1084 -53.1084 -25.4220 -25.4220 -24.5205 -24.5205 -24.2957 -24.2957 10.1753 10.1753 11.9946 11.9946 13.2289 13.2289 19.5693 19.5693 19.6722 19.6722 19.7507 19.7507 26.7628 26.7628 26.9761 26.9761 k = 0.5000-0.2394 0.4431 ( 1168 PWs) bands (ev): -53.1084 -53.1084 -25.4215 -25.4215 -24.5201 -24.5201 -24.2967 -24.2967 10.1819 10.1819 11.9820 11.9820 13.2453 13.2453 19.5472 19.5472 19.6737 19.6737 19.7730 19.7730 26.7564 26.7564 26.8196 26.8196 k = 0.5000-0.2323 0.4481 ( 1172 PWs) bands (ev): -53.1096 -53.1096 -25.4211 -25.4211 -24.5199 -24.5199 -24.2982 -24.2982 10.1874 10.1874 11.9676 11.9676 13.2636 13.2636 19.5206 19.5206 19.6723 19.6723 19.7984 19.7984 26.6594 26.6594 26.7456 26.7456 k = 0.5000-0.2253 0.4531 ( 1166 PWs) bands (ev): -53.1077 -53.1077 -25.4203 -25.4203 -24.5192 -24.5192 -24.2990 -24.2990 10.1976 10.1976 11.9517 11.9517 13.2854 13.2854 19.4993 19.4993 19.6738 19.6738 19.8348 19.8348 26.5110 26.5110 26.7421 26.7421 k = 0.5000-0.2183 0.4580 ( 1170 PWs) bands (ev): -53.1090 -53.1090 -25.4197 -25.4197 -24.5189 -24.5189 -24.3008 -24.3008 10.2052 10.2052 11.9339 11.9339 13.3081 13.3081 19.4637 19.4637 19.6737 19.6737 19.8679 19.8679 26.3536 26.3536 26.7279 26.7279 k = 0.5000-0.2112 0.4630 ( 1170 PWs) bands (ev): -53.1090 -53.1090 -25.4190 -25.4190 -24.5184 -24.5184 -24.3024 -24.3024 10.2157 10.2157 11.9145 11.9145 13.3338 13.3338 19.4280 19.4280 19.6740 19.6740 19.9062 19.9062 26.2025 26.2025 26.7172 26.7172 k = 0.5000-0.2042 0.4680 ( 1166 PWs) bands (ev): -53.1077 -53.1077 -25.4181 -25.4181 -24.5176 -24.5176 -24.3037 -24.3037 10.2276 10.2276 11.8935 11.8935 13.3624 13.3624 19.3997 19.3997 19.6744 19.6744 19.9484 19.9484 26.0540 26.0540 26.7109 26.7109 k = 0.5000-0.1971 0.4730 ( 1170 PWs) bands (ev): -53.1090 -53.1090 -25.4174 -25.4174 -24.5172 -24.5172 -24.3057 -24.3057 10.2391 10.2391 11.8709 11.8709 13.3923 13.3923 19.3572 19.3572 19.6707 19.6707 19.9861 19.9861 25.9027 25.9027 26.6978 26.6978 k = 0.5000-0.1901 0.4779 ( 1170 PWs) bands (ev): -53.1090 -53.1090 -25.4165 -25.4165 -24.5165 -24.5165 -24.3076 -24.3076 10.2526 10.2526 11.8470 11.8470 13.4242 13.4242 19.3125 19.3125 19.6708 19.6708 20.0347 20.0347 25.7557 25.7557 26.6840 26.6840 k = 0.5000-0.1831 0.4829 ( 1164 PWs) bands (ev): -53.1071 -53.1071 -25.4154 -25.4154 -24.5155 -24.5155 -24.3092 -24.3092 10.2687 10.2687 11.8221 11.8221 13.4586 13.4586 19.2691 19.2691 19.6728 19.6728 20.0932 20.0932 25.6176 25.6176 26.6725 26.6725 k = 0.5000-0.1760 0.4879 ( 1164 PWs) bands (ev): -53.1072 -53.1072 -25.4144 -25.4144 -24.5148 -24.5148 -24.3113 -24.3113 10.2841 10.2841 11.7956 11.7956 13.4942 13.4942 19.2192 19.2192 19.6729 19.6729 20.1480 20.1480 25.4733 25.4733 26.6567 26.6567 k = 0.5000-0.1690 0.4929 ( 1164 PWs) bands (ev): -53.1072 -53.1072 -25.4134 -25.4134 -24.5139 -24.5139 -24.3135 -24.3135 10.3005 10.3005 11.7680 11.7680 13.5315 13.5315 19.1671 19.1671 19.6731 19.6731 20.2059 20.2059 25.3303 25.3303 26.6401 26.6401 k = 0.5000-0.1619 0.4979 ( 1164 PWs) bands (ev): -53.1072 -53.1072 -25.4124 -25.4124 -24.5131 -24.5131 -24.3158 -24.3158 10.3178 10.3178 11.7392 11.7392 13.5703 13.5703 19.1130 19.1130 19.6733 19.6733 20.2668 20.2668 25.1887 25.1887 26.6226 26.6226 k = 0.5000-0.1549 0.5028 ( 1172 PWs) bands (ev): -53.1099 -53.1099 -25.4118 -25.4118 -24.5126 -24.5126 -24.3186 -24.3186 10.3330 10.3330 11.7093 11.7093 13.6095 13.6095 19.0532 19.0532 19.6641 19.6641 20.3265 20.3265 25.0407 25.0407 26.6017 26.6017 k = 0.5000-0.1479 0.5078 ( 1172 PWs) bands (ev): -53.1099 -53.1099 -25.4107 -25.4107 -24.5117 -24.5117 -24.3210 -24.3210 10.3521 10.3521 11.6785 11.6785 13.6509 13.6509 18.9959 18.9959 19.6641 19.6641 20.3932 20.3932 24.9016 24.9016 26.5832 26.5832 k = 0.5000-0.1408 0.5128 ( 1172 PWs) bands (ev): -53.1099 -53.1099 -25.4097 -25.4097 -24.5107 -24.5107 -24.3234 -24.3234 10.3722 10.3722 11.6469 11.6469 13.6933 13.6933 18.9374 18.9374 19.6642 19.6642 20.4626 20.4626 24.7638 24.7638 26.5642 26.5642 k = 0.5000-0.1338 0.5178 ( 1176 PWs) bands (ev): -53.1112 -53.1112 -25.4088 -25.4088 -24.5098 -24.5098 -24.3262 -24.3262 10.3928 10.3928 11.6143 11.6143 13.7361 13.7361 18.8700 18.8700 19.6642 19.6642 20.5308 20.5308 24.6261 24.6261 26.5400 26.5400 k = 0.5000-0.1267 0.5228 ( 1176 PWs) bands (ev): -53.1112 -53.1112 -25.4078 -25.4078 -24.5088 -24.5088 -24.3286 -24.3286 10.4147 10.4147 11.5812 11.5812 13.7800 13.7800 18.8099 18.8099 19.6643 19.6643 20.6054 20.6054 24.4908 24.4908 26.5203 26.5203 k = 0.5000-0.1197 0.5277 ( 1176 PWs) bands (ev): -53.1112 -53.1112 -25.4068 -25.4068 -24.5078 -24.5078 -24.3311 -24.3311 10.4374 10.4374 11.5474 11.5474 13.8243 13.8243 18.7495 18.7495 19.6644 19.6644 20.6826 20.6826 24.3568 24.3568 26.5007 26.5007 k = 0.5000-0.1127 0.5327 ( 1172 PWs) bands (ev): -53.1099 -53.1099 -25.4056 -25.4056 -24.5065 -24.5065 -24.3333 -24.3333 10.4616 10.4616 11.5132 11.5132 13.8692 13.8692 18.6933 18.6933 19.6703 19.6703 20.7628 20.7628 24.2276 24.2276 26.4817 26.4817 k = 0.5000-0.1056 0.5377 ( 1172 PWs) bands (ev): -53.1099 -53.1099 -25.4046 -25.4046 -24.5054 -24.5054 -24.3357 -24.3357 10.4861 10.4861 11.4784 11.4784 13.9135 13.9135 18.6334 18.6334 19.6704 19.6704 20.8448 20.8448 24.0962 24.0962 26.4625 26.4625 k = 0.5000-0.0986 0.5427 ( 1174 PWs) bands (ev): -53.1105 -53.1105 -25.4038 -25.4038 -24.5044 -24.5044 -24.3381 -24.3381 10.5113 10.5113 11.4429 11.4429 13.9572 13.9572 18.5733 18.5733 19.6705 19.6705 20.9230 20.9230 23.9661 23.9661 26.4436 26.4436 k = 0.5000-0.0915 0.5477 ( 1172 PWs) bands (ev): -53.1099 -53.1099 -25.4028 -25.4028 -24.5034 -24.5034 -24.3402 -24.3402 10.5374 10.5374 11.4074 11.4074 14.0005 14.0005 18.5211 18.5211 19.6706 19.6706 21.0096 21.0096 23.8372 23.8372 26.4289 26.4289 k = 0.5000-0.0845 0.5526 ( 1168 PWs) bands (ev): -53.1086 -53.1086 -25.4018 -25.4018 -24.5021 -24.5021 -24.3422 -24.3422 10.5650 10.5650 11.3718 11.3718 14.0428 14.0428 18.4664 18.4664 19.6776 19.6776 21.0999 21.0999 23.7144 23.7144 26.4118 26.4118 k = 0.5000-0.0774 0.5576 ( 1168 PWs) bands (ev): -53.1086 -53.1086 -25.4010 -25.4010 -24.5011 -24.5011 -24.3444 -24.3444 10.5926 10.5926 11.3358 11.3358 14.0835 14.0835 18.4123 18.4123 19.6777 19.6777 21.1905 21.1905 23.5881 23.5881 26.3955 26.3955 k = 0.5000-0.0704 0.5626 ( 1168 PWs) bands (ev): -53.1086 -53.1086 -25.4002 -25.4002 -24.5001 -24.5001 -24.3464 -24.3464 10.6209 10.6209 11.2996 11.2996 14.1225 14.1225 18.3607 18.3607 19.6777 19.6777 21.2832 21.2832 23.4631 23.4631 26.3803 26.3803 k = 0.5000-0.0634 0.5676 ( 1172 PWs) bands (ev): -53.1098 -53.1098 -25.3997 -25.3997 -24.4995 -24.4995 -24.3483 -24.3483 10.6500 10.6500 11.2633 11.2633 14.1546 14.1546 18.3115 18.3115 19.6774 19.6774 21.3746 21.3746 23.3394 23.3394 26.3655 26.3655 k = 0.5000-0.0563 0.5725 ( 1172 PWs) bands (ev): -53.1098 -53.1098 -25.3991 -25.3991 -24.4986 -24.4986 -24.3501 -24.3501 10.6798 10.6798 11.2270 11.2270 14.1889 14.1889 18.2664 18.2664 19.6774 19.6774 21.4713 21.4713 23.2171 23.2171 26.3528 26.3528 k = 0.5000-0.0493 0.5775 ( 1168 PWs) bands (ev): -53.1085 -53.1085 -25.3984 -25.3984 -24.4977 -24.4977 -24.3513 -24.3513 10.7118 10.7118 11.1910 11.1910 14.2211 14.2211 18.2257 18.2257 19.6783 19.6783 21.5705 21.5705 23.1061 23.1061 26.3435 26.3435 k = 0.5000-0.0422 0.5825 ( 1164 PWs) bands (ev): -53.1072 -53.1072 -25.3977 -25.3977 -24.4968 -24.4968 -24.3524 -24.3524 10.7442 10.7442 11.1550 11.1550 14.2498 14.2498 18.1910 18.1910 19.6785 19.6785 21.6710 21.6710 22.9959 22.9959 26.3365 26.3365 k = 0.5000-0.0352 0.5875 ( 1164 PWs) bands (ev): -53.1072 -53.1072 -25.3973 -25.3973 -24.4962 -24.4962 -24.3536 -24.3536 10.7757 10.7757 11.1191 11.1191 14.2743 14.2743 18.1593 18.1593 19.6786 19.6786 21.7731 21.7731 22.8774 22.8774 26.3278 26.3278 k = 0.5000-0.0282 0.5925 ( 1164 PWs) bands (ev): -53.1071 -53.1071 -25.3969 -25.3969 -24.4957 -24.4957 -24.3546 -24.3546 10.8077 10.8077 11.0835 11.0835 14.2948 14.2948 18.1328 18.1328 19.6787 19.6787 21.8769 21.8769 22.7603 22.7603 26.3207 26.3207 k = 0.5000-0.0211 0.5974 ( 1172 PWs) bands (ev): -53.1097 -53.1097 -25.3970 -25.3970 -24.4957 -24.4957 -24.3559 -24.3559 10.8384 10.8384 11.0469 11.0469 14.3092 14.3092 18.1118 18.1118 19.6749 19.6749 21.9682 21.9682 22.6376 22.6376 26.3138 26.3138 k = 0.5000-0.0141 0.6024 ( 1176 PWs) bands (ev): -53.1110 -53.1110 -25.3969 -25.3969 -24.4954 -24.4954 -24.3569 -24.3569 10.8698 10.8698 11.0122 11.0122 14.3207 14.3207 18.0904 18.0904 19.6748 19.6748 22.0747 22.0747 22.5182 22.5182 26.3045 26.3045 k = 0.5000-0.0070 0.6074 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3968 -25.3968 -24.4952 -24.4952 -24.3573 -24.3573 10.9016 10.9016 10.9792 10.9792 14.3279 14.3279 18.0812 18.0812 19.6748 19.6748 22.1832 22.1832 22.4051 22.4051 26.3021 26.3021 k = 0.5000-0.0000 0.6124 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3968 -25.3968 -24.4952 -24.4952 -24.3574 -24.3574 10.9223 10.9223 10.9581 10.9581 14.3303 14.3303 18.0781 18.0781 19.6748 19.6748 22.2892 22.2892 22.2975 22.2975 26.3013 26.3013 k = 0.5000-0.0000 0.6124 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3968 -25.3968 -24.4952 -24.4952 -24.3574 -24.3574 10.9223 10.9223 10.9581 10.9581 14.3303 14.3303 18.0781 18.0781 19.6748 19.6748 22.2892 22.2892 22.2975 22.2975 26.3013 26.3013 k = 0.4957 0.0075 0.6124 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3968 -25.3968 -24.4952 -24.4952 -24.3573 -24.3573 10.9093 10.9093 10.9706 10.9706 14.3297 14.3297 18.0797 18.0797 19.6735 19.6735 22.2167 22.2167 22.3701 22.3701 26.3037 26.3037 k = 0.4914 0.0149 0.6124 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3968 -25.3968 -24.4953 -24.4953 -24.3569 -24.3569 10.8855 10.8855 10.9932 10.9932 14.3279 14.3279 18.0844 18.0844 19.6697 19.6697 22.1441 22.1441 22.4427 22.4427 26.3112 26.3112 k = 0.4871 0.0224 0.6124 ( 1172 PWs) bands (ev): -53.1098 -53.1098 -25.3966 -25.3966 -24.4955 -24.4955 -24.3558 -24.3558 10.8602 10.8602 11.0180 11.0180 14.3254 14.3254 18.0953 18.0953 19.6655 19.6655 22.0766 22.0766 22.5167 22.5167 26.3264 26.3264 k = 0.4828 0.0299 0.6124 ( 1172 PWs) bands (ev): -53.1099 -53.1099 -25.3967 -25.3967 -24.4958 -24.4958 -24.3549 -24.3549 10.8323 10.8323 11.0436 11.0436 14.3211 14.3211 18.1061 18.1061 19.6567 19.6567 22.0116 22.0116 22.5798 22.5798 26.3432 26.3432 k = 0.4784 0.0373 0.6124 ( 1168 PWs) bands (ev): -53.1087 -53.1087 -25.3965 -25.3965 -24.4960 -24.4960 -24.3535 -24.3535 10.8037 10.8037 11.0701 11.0701 14.3178 14.3178 18.1217 18.1217 19.6463 19.6463 21.9559 21.9559 22.6397 22.6397 26.3643 26.3643 k = 0.4741 0.0448 0.6124 ( 1172 PWs) bands (ev): -53.1101 -53.1101 -25.3967 -25.3967 -24.4966 -24.4966 -24.3526 -24.3526 10.7731 10.7731 11.0963 11.0963 14.3101 14.3101 18.1369 18.1369 19.6322 19.6322 21.8985 21.8985 22.6825 22.6825 26.3865 26.3865 k = 0.4698 0.0523 0.6124 ( 1172 PWs) bands (ev): -53.1102 -53.1102 -25.3968 -25.3968 -24.4972 -24.4972 -24.3509 -24.3509 10.7438 10.7438 11.1230 11.1230 14.3021 14.3021 18.1571 18.1571 19.6094 19.6094 21.8511 21.8511 22.7270 22.7270 26.4163 26.4163 k = 0.4655 0.0597 0.6124 ( 1174 PWs) bands (ev): -53.1111 -53.1111 -25.3970 -25.3970 -24.4980 -24.4980 -24.3493 -24.3493 10.7143 10.7143 11.1494 11.1494 14.2919 14.2919 18.1755 18.1755 19.5897 19.5897 21.8020 21.8020 22.7675 22.7675 26.4442 26.4442 k = 0.4612 0.0672 0.6124 ( 1174 PWs) bands (ev): -53.1112 -53.1112 -25.3971 -25.3971 -24.4987 -24.4987 -24.3474 -24.3474 10.6849 10.6849 11.1755 11.1755 14.2820 14.2820 18.1984 18.1984 19.5699 19.5699 21.7568 21.7568 22.8020 22.8020 26.4724 26.4724 k = 0.4569 0.0747 0.6124 ( 1172 PWs) bands (ev): -53.1108 -53.1108 -25.3970 -25.3970 -24.4993 -24.4993 -24.3454 -24.3454 10.6560 10.6560 11.2015 11.2015 14.2737 14.2737 18.2236 18.2236 19.5493 19.5493 21.7165 21.7165 22.8312 22.8312 26.5008 26.5008 k = 0.4526 0.0821 0.6124 ( 1172 PWs) bands (ev): -53.1109 -53.1109 -25.3971 -25.3971 -24.5001 -24.5001 -24.3433 -24.3433 10.6276 10.6276 11.2270 11.2270 14.2625 14.2625 18.2495 18.2495 19.5267 19.5267 21.6786 21.6786 22.8546 22.8546 26.5267 26.5267 k = 0.4483 0.0896 0.6124 ( 1170 PWs) bands (ev): -53.1104 -53.1104 -25.3972 -25.3972 -24.5009 -24.5009 -24.3410 -24.3410 10.6006 10.6006 11.2520 11.2520 14.2519 14.2519 18.2777 18.2777 19.5040 19.5040 21.6442 21.6442 22.8745 22.8745 26.5511 26.5511 k = 0.4440 0.0971 0.6124 ( 1168 PWs) bands (ev): -53.1099 -53.1099 -25.3972 -25.3972 -24.5016 -24.5016 -24.3387 -24.3387 10.5741 10.5741 11.2764 11.2764 14.2400 14.2400 18.3062 18.3062 19.4850 19.4850 21.6133 21.6133 22.8895 22.8895 26.5726 26.5726 k = 0.4397 0.1045 0.6124 ( 1169 PWs) bands (ev): -53.1105 -53.1105 -25.3974 -25.3974 -24.5025 -24.5025 -24.3366 -24.3366 10.5480 10.5480 11.3000 11.3000 14.2273 14.2273 18.3342 18.3342 19.4602 19.4602 21.5852 21.5852 22.8971 22.8971 26.5909 26.5909 k = 0.4353 0.1120 0.6124 ( 1169 PWs) bands (ev): -53.1106 -53.1106 -25.3975 -25.3975 -24.5034 -24.5034 -24.3344 -24.3344 10.5232 10.5232 11.3227 11.3227 14.2152 14.2152 18.3627 18.3627 19.4352 19.4352 21.5600 21.5600 22.9024 22.9024 26.6075 26.6075 k = 0.4310 0.1195 0.6124 ( 1169 PWs) bands (ev): -53.1108 -53.1108 -25.3977 -25.3977 -24.5042 -24.5042 -24.3322 -24.3322 10.4996 10.4996 11.3445 11.3445 14.2033 14.2033 18.3910 18.3910 19.4104 19.4104 21.5376 21.5376 22.9045 22.9045 26.6219 26.6219 k = 0.4267 0.1269 0.6124 ( 1169 PWs) bands (ev): -53.1109 -53.1109 -25.3978 -25.3978 -24.5050 -24.5050 -24.3301 -24.3301 10.4774 10.4774 11.3652 11.3652 14.1917 14.1917 18.4187 18.4187 19.3860 19.3860 21.5177 21.5177 22.9040 22.9040 26.6344 26.6344 k = 0.4224 0.1344 0.6124 ( 1169 PWs) bands (ev): -53.1110 -53.1110 -25.3979 -25.3979 -24.5058 -24.5058 -24.3281 -24.3281 10.4566 10.4566 11.3846 11.3846 14.1805 14.1805 18.4457 18.4457 19.3625 19.3625 21.5001 21.5001 22.9012 22.9012 26.6452 26.6452 k = 0.4181 0.1418 0.6124 ( 1169 PWs) bands (ev): -53.1111 -53.1111 -25.3981 -25.3981 -24.5065 -24.5065 -24.3262 -24.3262 10.4373 10.4373 11.4028 11.4028 14.1700 14.1700 18.4715 18.4715 19.3400 19.3400 21.4847 21.4847 22.8968 22.8968 26.6545 26.6545 k = 0.4138 0.1493 0.6124 ( 1167 PWs) bands (ev): -53.1106 -53.1106 -25.3981 -25.3981 -24.5071 -24.5071 -24.3243 -24.3243 10.4204 10.4204 11.4198 11.4198 14.1606 14.1606 18.4918 18.4918 19.3224 19.3224 21.4754 21.4754 22.8938 22.8938 26.6612 26.6612 k = 0.4095 0.1568 0.6124 ( 1163 PWs) bands (ev): -53.1094 -53.1094 -25.3980 -25.3980 -24.5075 -24.5075 -24.3225 -24.3225 10.4052 10.4052 11.4351 11.4351 14.1543 14.1543 18.5146 18.5146 19.3031 19.3031 21.4656 21.4656 22.8931 22.8931 26.6733 26.6733 k = 0.4052 0.1642 0.6124 ( 1163 PWs) bands (ev): -53.1095 -53.1095 -25.3981 -25.3981 -24.5081 -24.5081 -24.3210 -24.3210 10.3909 10.3909 11.4488 11.4488 14.1460 14.1460 18.5353 18.5353 19.2854 19.2854 21.4555 21.4555 22.8864 22.8864 26.6793 26.6793 k = 0.4009 0.1717 0.6124 ( 1155 PWs) bands (ev): -53.1069 -53.1069 -25.3979 -25.3979 -24.5083 -24.5083 -24.3190 -24.3190 10.3792 10.3792 11.4609 11.4609 14.1400 14.1400 18.5646 18.5646 19.2787 19.2787 21.4488 21.4488 22.8833 22.8833 26.6889 26.6889 k = 0.3966 0.1792 0.6124 ( 1157 PWs) bands (ev): -53.1077 -53.1077 -25.3981 -25.3981 -24.5089 -24.5089 -24.3180 -24.3180 10.3683 10.3683 11.4711 11.4711 14.1332 14.1332 18.5770 18.5770 19.2642 19.2642 21.4405 21.4405 22.8766 22.8766 26.6918 26.6918 k = 0.3922 0.1866 0.6124 ( 1157 PWs) bands (ev): -53.1077 -53.1077 -25.3982 -25.3982 -24.5092 -24.5092 -24.3170 -24.3170 10.3595 10.3595 11.4796 11.4796 14.1279 14.1279 18.5902 18.5902 19.2528 19.2528 21.4348 21.4348 22.8712 22.8712 26.6951 26.6951 k = 0.3879 0.1941 0.6124 ( 1159 PWs) bands (ev): -53.1084 -53.1084 -25.3983 -25.3983 -24.5096 -24.5096 -24.3165 -24.3165 10.3524 10.3524 11.4861 11.4861 14.1237 14.1237 18.5993 18.5993 19.2405 19.2405 21.4297 21.4297 22.8652 22.8652 26.6971 26.6971 k = 0.3836 0.2016 0.6124 ( 1159 PWs) bands (ev): -53.1085 -53.1085 -25.3983 -25.3983 -24.5098 -24.5098 -24.3159 -24.3159 10.3475 10.3475 11.4909 11.4909 14.1207 14.1207 18.6069 18.6069 19.2340 19.2340 21.4267 21.4267 22.8619 22.8619 26.6989 26.6989 k = 0.3793 0.2090 0.6124 ( 1154 PWs) bands (ev): -53.1068 -53.1068 -25.3982 -25.3982 -24.5098 -24.5098 -24.3150 -24.3150 10.3462 10.3462 11.4938 11.4938 14.1205 14.1205 18.6137 18.6137 19.2326 19.2326 21.4250 21.4250 22.8661 22.8661 26.7047 26.7047 k = 0.3750 0.2165 0.6124 ( 1154 PWs) bands (ev): -53.1069 -53.1069 -25.3982 -25.3982 -24.5099 -24.5099 -24.3149 -24.3149 10.3452 10.3452 11.4947 11.4947 14.1199 14.1199 18.6152 18.6152 19.2313 19.2313 21.4244 21.4244 22.8654 22.8654 26.7051 26.7051 k = 0.3750 0.2165 0.6124 ( 1154 PWs) bands (ev): -53.1069 -53.1069 -25.3982 -25.3982 -24.5099 -24.5099 -24.3149 -24.3149 10.3452 10.3452 11.4947 11.4947 14.1199 14.1199 18.6152 18.6152 19.2313 19.2313 21.4244 21.4244 22.8654 22.8654 26.7051 26.7051 k = 0.3707 0.2140 0.6053 ( 1154 PWs) bands (ev): -53.1073 -53.1073 -25.3969 -25.3969 -24.5094 -24.5094 -24.3142 -24.3142 10.3410 10.3410 11.4738 11.4738 14.1749 14.1749 18.5663 18.5663 19.2008 19.2008 21.5289 21.5289 22.7286 22.7286 26.7077 26.7077 k = 0.3664 0.2115 0.5983 ( 1154 PWs) bands (ev): -53.1077 -53.1077 -25.3955 -25.3955 -24.5089 -24.5089 -24.3133 -24.3133 10.3345 10.3345 11.4539 11.4539 14.2303 14.2303 18.5180 18.5180 19.1695 19.1695 21.6348 21.6348 22.5964 22.5964 26.7121 26.7121 k = 0.3621 0.2090 0.5913 ( 1154 PWs) bands (ev): -53.1081 -53.1081 -25.3941 -25.3941 -24.5083 -24.5083 -24.3121 -24.3121 10.3254 10.3254 11.4351 11.4351 14.2862 14.2862 18.4704 18.4704 19.1373 19.1373 21.7420 21.7420 22.4687 22.4687 26.7183 26.7183 k = 0.3578 0.2066 0.5842 ( 1154 PWs) bands (ev): -53.1086 -53.1086 -25.3927 -25.3927 -24.5077 -24.5077 -24.3107 -24.3107 10.3137 10.3137 11.4175 11.4175 14.3425 14.3425 18.4238 18.4238 19.1042 19.1042 21.8504 21.8504 22.3458 22.3458 26.7267 26.7267 k = 0.3534 0.2041 0.5772 ( 1162 PWs) bands (ev): -53.1117 -53.1117 -25.3917 -25.3917 -24.5073 -24.5073 -24.3097 -24.3097 10.2982 10.2982 11.4011 11.4011 14.3922 14.3922 18.3762 18.3762 19.0680 19.0680 21.9565 21.9565 22.2211 22.2211 26.7273 26.7273 k = 0.3491 0.2016 0.5701 ( 1162 PWs) bands (ev): -53.1123 -53.1123 -25.3902 -25.3902 -24.5065 -24.5065 -24.3079 -24.3079 10.2807 10.2807 11.3862 11.3862 14.4488 14.4488 18.3315 18.3315 19.0334 19.0334 22.0641 22.0641 22.1098 22.1098 26.7404 26.7404 k = 0.3448 0.1991 0.5631 ( 1162 PWs) bands (ev): -53.1129 -53.1129 -25.3888 -25.3888 -24.5056 -24.5056 -24.3059 -24.3059 10.2601 10.2601 11.3727 11.3727 14.5056 14.5056 18.2880 18.2880 18.9980 18.9980 21.9961 21.9961 22.1793 22.1793 26.7562 26.7562 k = 0.3405 0.1966 0.5561 ( 1164 PWs) bands (ev): -53.1142 -53.1142 -25.3873 -25.3873 -24.5047 -24.5047 -24.3038 -24.3038 10.2360 10.2360 11.3602 11.3602 14.5618 14.5618 18.2456 18.2456 18.9619 18.9619 21.8912 21.8912 22.2842 22.2842 26.7745 26.7745 k = 0.3362 0.1941 0.5490 ( 1164 PWs) bands (ev): -53.1149 -53.1149 -25.3858 -25.3858 -24.5035 -24.5035 -24.3014 -24.3014 10.2087 10.2087 11.3499 11.3499 14.6187 14.6187 18.2045 18.2045 18.9251 18.9251 21.7904 21.7904 22.3960 22.3960 26.7964 26.7964 k = 0.3319 0.1916 0.5420 ( 1166 PWs) bands (ev): -53.1163 -53.1163 -25.3842 -25.3842 -24.5024 -24.5024 -24.2989 -24.2989 10.1771 10.1771 11.3424 11.3424 14.6740 14.6740 18.1633 18.1633 18.8862 18.8862 21.6910 21.6910 22.5075 22.5075 26.8206 26.8206 k = 0.3276 0.1891 0.5349 ( 1165 PWs) bands (ev): -53.1168 -53.1168 -25.3825 -25.3825 -24.5008 -24.5008 -24.2962 -24.2962 10.1431 10.1431 11.3353 11.3353 14.7309 14.7309 18.1244 18.1244 18.8478 18.8478 21.6010 21.6010 22.6194 22.6194 26.8499 26.8499 k = 0.3233 0.1866 0.5279 ( 1169 PWs) bands (ev): -53.1191 -53.1191 -25.3808 -25.3808 -24.4992 -24.4992 -24.2938 -24.2938 10.1043 10.1043 11.3301 11.3301 14.7855 14.7855 18.0867 18.0867 18.8054 18.8054 21.5061 21.5061 22.7311 22.7311 26.8778 26.8778 k = 0.3190 0.1842 0.5209 ( 1169 PWs) bands (ev): -53.1201 -53.1201 -25.3790 -25.3790 -24.4974 -24.4974 -24.2908 -24.2908 10.0626 10.0626 11.3268 11.3268 14.8421 14.8421 18.0508 18.0508 18.7658 18.7658 21.4199 21.4199 22.8426 22.8426 26.9139 26.9139 k = 0.3147 0.1817 0.5138 ( 1169 PWs) bands (ev): -53.1211 -53.1211 -25.3771 -25.3771 -24.4954 -24.4954 -24.2876 -24.2876 10.0172 10.0172 11.3254 11.3254 14.8987 14.8987 18.0163 18.0163 18.7256 18.7256 21.3369 21.3369 22.9535 22.9535 26.9541 26.9541 k = 0.3103 0.1792 0.5068 ( 1169 PWs) bands (ev): -53.1221 -53.1221 -25.3751 -25.3751 -24.4932 -24.4932 -24.2843 -24.2843 9.9680 9.9680 11.3259 11.3259 14.9553 14.9553 17.9834 17.9834 18.6849 18.6849 21.2568 21.2568 23.0638 23.0638 26.9984 26.9984 k = 0.3060 0.1767 0.4998 ( 1169 PWs) bands (ev): -53.1233 -53.1233 -25.3730 -25.3730 -24.4908 -24.4908 -24.2809 -24.2809 9.9151 9.9151 11.3285 11.3285 15.0117 15.0117 17.9520 17.9520 18.6436 18.6436 21.1794 21.1794 23.1732 23.1732 27.0471 27.0471 k = 0.3017 0.1742 0.4927 ( 1169 PWs) bands (ev): -53.1244 -53.1244 -25.3707 -25.3707 -24.4882 -24.4882 -24.2774 -24.2774 9.8585 9.8585 11.3332 11.3332 15.0681 15.0681 17.9223 17.9223 18.6019 18.6019 21.1044 21.1044 23.2814 23.2814 27.1002 27.1002 k = 0.2974 0.1717 0.4857 ( 1173 PWs) bands (ev): -53.1269 -53.1269 -25.3686 -25.3686 -24.4857 -24.4857 -24.2740 -24.2740 9.7982 9.7982 11.3393 11.3393 15.1235 15.1235 17.8928 17.8928 18.5554 18.5554 21.0308 21.0308 23.3804 23.3804 27.1571 27.1571 k = 0.2931 0.1692 0.4786 ( 1173 PWs) bands (ev): -53.1281 -53.1281 -25.3661 -25.3661 -24.4827 -24.4827 -24.2703 -24.2703 9.7343 9.7343 11.3482 11.3482 15.1798 15.1798 17.8663 17.8663 18.5127 18.5127 20.9597 20.9597 23.4857 23.4857 27.2191 27.2191 k = 0.2888 0.1667 0.4716 ( 1173 PWs) bands (ev): -53.1295 -53.1295 -25.3635 -25.3635 -24.4795 -24.4795 -24.2665 -24.2665 9.6671 9.6671 11.3594 11.3594 15.2360 15.2360 17.8416 17.8416 18.4697 18.4697 20.8901 20.8901 23.5890 23.5890 27.2857 27.2857 k = 0.2845 0.1642 0.4646 ( 1173 PWs) bands (ev): -53.1308 -53.1308 -25.3608 -25.3608 -24.4761 -24.4761 -24.2626 -24.2626 9.5964 9.5964 11.3728 11.3728 15.2922 15.2922 17.8185 17.8185 18.4263 18.4263 20.8219 20.8219 23.6903 23.6903 27.3567 27.3567 k = 0.2802 0.1618 0.4575 ( 1171 PWs) bands (ev): -53.1316 -53.1316 -25.3578 -25.3578 -24.4723 -24.4723 -24.2587 -24.2587 9.5227 9.5227 11.3894 11.3894 15.3485 15.3485 17.7972 17.7972 18.3825 18.3825 20.7579 20.7579 23.7934 23.7934 27.4320 27.4320 k = 0.2759 0.1593 0.4505 ( 1171 PWs) bands (ev): -53.1330 -53.1330 -25.3547 -25.3547 -24.4684 -24.4684 -24.2547 -24.2547 9.4457 9.4457 11.4075 11.4075 15.4044 15.4044 17.7776 17.7776 18.3385 18.3385 20.6915 20.6915 23.8895 23.8895 27.5117 27.5117 k = 0.2716 0.1568 0.4434 ( 1171 PWs) bands (ev): -53.1345 -53.1345 -25.3515 -25.3515 -24.4644 -24.4644 -24.2507 -24.2507 9.3656 9.3656 11.4279 11.4279 15.4603 15.4603 17.7597 17.7597 18.2942 18.2942 20.6259 20.6259 23.9826 23.9826 27.5954 27.5954 k = 0.2672 0.1543 0.4364 ( 1171 PWs) bands (ev): -53.1361 -53.1361 -25.3482 -25.3482 -24.4601 -24.4601 -24.2466 -24.2466 9.2827 9.2827 11.4508 11.4508 15.5159 15.5159 17.7436 17.7436 18.2497 18.2497 20.5607 20.5607 24.0725 24.0725 27.6831 27.6831 k = 0.2629 0.1518 0.4294 ( 1167 PWs) bands (ev): -53.1364 -53.1364 -25.3444 -25.3444 -24.4554 -24.4554 -24.2423 -24.2423 9.1972 9.1972 11.4769 11.4769 15.5715 15.5715 17.7356 17.7356 18.2068 18.2068 20.4977 20.4977 24.1626 24.1626 27.7752 27.7752 k = 0.2586 0.1493 0.4223 ( 1171 PWs) bands (ev): -53.1393 -53.1393 -25.3409 -25.3409 -24.4510 -24.4510 -24.2383 -24.2383 9.1089 9.1089 11.5033 11.5033 15.6262 15.6262 17.7205 17.7205 18.1589 18.1589 20.4331 20.4331 24.2358 24.2358 27.8699 27.8699 k = 0.2543 0.1468 0.4153 ( 1171 PWs) bands (ev): -53.1411 -53.1411 -25.3370 -25.3370 -24.4461 -24.4461 -24.2341 -24.2341 9.0185 9.0185 11.5335 11.5335 15.6811 15.6811 17.7095 17.7095 18.1138 18.1138 20.3686 20.3686 24.3136 24.3136 27.9680 27.9680 k = 0.2500 0.1443 0.4082 ( 1171 PWs) bands (ev): -53.1428 -53.1428 -25.3330 -25.3330 -24.4411 -24.4411 -24.2300 -24.2300 8.9260 8.9260 11.5661 11.5661 15.7355 15.7355 17.7001 17.7001 18.0687 18.0687 20.3042 20.3042 24.3867 24.3867 28.0690 28.0690 k = 0.2457 0.1418 0.4012 ( 1171 PWs) bands (ev): -53.1446 -53.1446 -25.3287 -25.3287 -24.4358 -24.4358 -24.2258 -24.2258 8.8316 8.8316 11.6013 11.6013 15.7896 15.7896 17.6925 17.6925 18.0236 18.0236 20.2397 20.2397 24.4548 24.4548 28.1727 28.1727 k = 0.2414 0.1394 0.3942 ( 1171 PWs) bands (ev): -53.1465 -53.1465 -25.3243 -25.3243 -24.4304 -24.4304 -24.2216 -24.2216 8.7354 8.7354 11.6390 11.6390 15.8431 15.8431 17.6866 17.6866 17.9785 17.9785 20.1752 20.1752 24.5175 24.5175 28.2788 28.2788 k = 0.2371 0.1369 0.3871 ( 1171 PWs) bands (ev): -53.1483 -53.1483 -25.3198 -25.3198 -24.4247 -24.4247 -24.2173 -24.2173 8.6368 8.6368 11.6806 11.6806 15.8993 15.8993 17.6803 17.6803 17.9335 17.9335 20.1060 20.1060 24.5762 24.5762 28.3884 28.3884 k = 0.2328 0.1344 0.3801 ( 1171 PWs) bands (ev): -53.1503 -53.1503 -25.3150 -25.3150 -24.4189 -24.4189 -24.2131 -24.2131 8.5376 8.5376 11.7234 11.7234 15.9514 15.9514 17.6776 17.6776 17.8886 17.8886 20.0414 20.0414 24.6268 24.6268 28.4983 28.4983 k = 0.2284 0.1319 0.3731 ( 1175 PWs) bands (ev): -53.1536 -53.1536 -25.3103 -25.3103 -24.4131 -24.4131 -24.2092 -24.2092 8.4369 8.4369 11.7677 11.7677 16.0027 16.0027 17.6724 17.6724 17.8398 17.8398 19.9768 19.9768 24.6645 24.6645 28.6098 28.6098 k = 0.2241 0.1294 0.3660 ( 1171 PWs) bands (ev): -53.1543 -53.1543 -25.3049 -25.3049 -24.4066 -24.4066 -24.2049 -24.2049 8.3357 8.3357 11.8160 11.8160 16.0531 16.0531 17.6777 17.6777 17.7957 17.7957 19.9205 19.9205 24.7031 24.7031 28.7227 28.7227 k = 0.2198 0.1269 0.3590 ( 1171 PWs) bands (ev): -53.1564 -53.1564 -25.2997 -25.2997 -24.4003 -24.4003 -24.2008 -24.2008 8.2334 8.2334 11.8665 11.8665 16.1024 16.1024 17.6785 17.6785 17.7523 17.7523 19.8560 19.8560 24.7333 24.7333 28.8368 28.8368 k = 0.2155 0.1244 0.3519 ( 1175 PWs) bands (ev): -53.1598 -53.1598 -25.2944 -25.2944 -24.3940 -24.3940 -24.1970 -24.1970 8.1303 8.1303 11.9191 11.9191 16.1504 16.1504 17.6741 17.6741 17.7077 17.7077 19.7889 19.7889 24.7527 24.7527 28.9519 28.9519 k = 0.2112 0.1219 0.3449 ( 1169 PWs) bands (ev): -53.1601 -53.1601 -25.2886 -25.2886 -24.3870 -24.3870 -24.1926 -24.1926 8.0268 8.0268 11.9773 11.9773 16.1996 16.1996 17.6508 17.6508 17.7026 17.7026 19.7251 19.7251 24.7739 24.7739 29.0694 29.0694 k = 0.2069 0.1195 0.3379 ( 1169 PWs) bands (ev): -53.1623 -53.1623 -25.2829 -25.2829 -24.3801 -24.3801 -24.1885 -24.1885 7.9229 7.9229 12.0356 12.0356 16.2452 16.2452 17.6093 17.6093 17.7067 17.7067 19.6616 19.6616 24.7808 24.7808 29.1865 29.1865 k = 0.2026 0.1170 0.3308 ( 1169 PWs) bands (ev): -53.1646 -53.1646 -25.2771 -25.2771 -24.3732 -24.3732 -24.1846 -24.1846 7.8189 7.8189 12.0964 12.0964 16.2893 16.2893 17.5664 17.5664 17.7141 17.7141 19.5988 19.5988 24.7796 24.7796 29.3047 29.3047 k = 0.1983 0.1145 0.3238 ( 1169 PWs) bands (ev): -53.1668 -53.1668 -25.2711 -25.2711 -24.3661 -24.3661 -24.1806 -24.1806 7.7148 7.7148 12.1599 12.1599 16.3317 16.3317 17.5233 17.5233 17.7234 17.7234 19.5367 19.5367 24.7701 24.7701 29.4239 29.4239 k = 0.1940 0.1120 0.3167 ( 1169 PWs) bands (ev): -53.1691 -53.1691 -25.2651 -25.2651 -24.3588 -24.3588 -24.1767 -24.1767 7.6108 7.6108 12.2260 12.2260 16.3724 16.3724 17.4805 17.4805 17.7343 17.7343 19.4755 19.4755 24.7524 24.7524 29.5443 29.5443 k = 0.1897 0.1095 0.3097 ( 1169 PWs) bands (ev): -53.1714 -53.1714 -25.2590 -25.2590 -24.3515 -24.3515 -24.1729 -24.1729 7.5071 7.5071 12.2946 12.2946 16.4112 16.4112 17.4380 17.4380 17.7467 17.7467 19.4153 19.4153 24.7263 24.7263 29.6661 29.6661 k = 0.1853 0.1070 0.3027 ( 1171 PWs) bands (ev): -53.1743 -53.1743 -25.2528 -25.2528 -24.3441 -24.3441 -24.1692 -24.1692 7.4036 7.4036 12.3658 12.3658 16.4476 16.4476 17.3959 17.3959 17.7557 17.7557 19.3551 19.3551 24.6920 24.6920 29.7890 29.7890 k = 0.1810 0.1045 0.2956 ( 1171 PWs) bands (ev): -53.1767 -53.1767 -25.2465 -25.2465 -24.3365 -24.3365 -24.1655 -24.1655 7.3008 7.3008 12.4395 12.4395 16.4824 16.4824 17.3543 17.3543 17.7706 17.7706 19.2974 19.2974 24.6493 24.6493 29.9138 29.9138 k = 0.1767 0.1020 0.2886 ( 1179 PWs) bands (ev): -53.1816 -53.1816 -25.2406 -25.2406 -24.3294 -24.3294 -24.1620 -24.1620 7.1975 7.1975 12.5131 12.5131 16.5132 16.5132 17.3125 17.3125 17.7812 17.7812 19.2321 19.2321 24.5885 24.5885 30.0393 30.0393 k = 0.1724 0.0995 0.2816 ( 1175 PWs) bands (ev): -53.1827 -53.1827 -25.2340 -25.2340 -24.3213 -24.3213 -24.1583 -24.1583 7.0964 7.0964 12.5945 12.5945 16.5445 16.5445 17.2728 17.2728 17.8002 17.8002 19.1788 19.1788 24.5371 24.5371 30.1683 30.1683 k = 0.1681 0.0971 0.2745 ( 1175 PWs) bands (ev): -53.1851 -53.1851 -25.2276 -25.2276 -24.3134 -24.3134 -24.1548 -24.1548 6.9961 6.9961 12.6756 12.6756 16.5720 16.5720 17.2327 17.2327 17.8184 17.8184 19.1263 19.1263 24.4704 24.4704 30.2991 30.2991 k = 0.1638 0.0946 0.2675 ( 1175 PWs) bands (ev): -53.1874 -53.1874 -25.2211 -25.2211 -24.3054 -24.3054 -24.1513 -24.1513 6.8968 6.8968 12.7592 12.7592 16.5969 16.5969 17.1933 17.1933 17.8376 17.8376 19.0757 19.0757 24.3962 24.3962 30.4324 30.4324 k = 0.1595 0.0921 0.2604 ( 1175 PWs) bands (ev): -53.1898 -53.1898 -25.2146 -25.2146 -24.2974 -24.2974 -24.1479 -24.1479 6.7987 6.7987 12.8452 12.8452 16.6191 16.6191 17.1546 17.1546 17.8579 17.8579 19.0274 19.0274 24.3148 24.3148 30.5683 30.5683 k = 0.1552 0.0896 0.2534 ( 1175 PWs) bands (ev): -53.1921 -53.1921 -25.2082 -25.2082 -24.2893 -24.2893 -24.1446 -24.1446 6.7018 6.7018 12.9336 12.9336 16.6385 16.6385 17.1165 17.1165 17.8790 17.8790 18.9813 18.9813 24.2266 24.2266 30.7069 30.7069 k = 0.1509 0.0871 0.2464 ( 1177 PWs) bands (ev): -53.1951 -53.1951 -25.2018 -25.2018 -24.2812 -24.2812 -24.1415 -24.1415 6.6060 6.6060 13.0256 13.0256 16.6541 16.6541 17.0748 17.0748 17.9012 17.9012 18.9337 18.9337 24.1337 24.1337 30.8478 30.8478 k = 0.1466 0.0846 0.2393 ( 1171 PWs) bands (ev): -53.1955 -53.1955 -25.1950 -25.1950 -24.2725 -24.2725 -24.1383 -24.1383 6.5124 6.5124 13.1205 13.1205 16.6708 16.6708 17.0383 17.0383 17.9273 17.9273 18.9017 18.9017 24.0364 24.0364 30.9928 30.9928 k = 0.1422 0.0821 0.2323 ( 1171 PWs) bands (ev): -53.1979 -53.1979 -25.1887 -25.1887 -24.2643 -24.2643 -24.1352 -24.1352 6.4201 6.4201 13.2157 13.2157 16.6816 16.6816 17.0024 17.0024 17.9505 17.9505 18.8627 18.8627 23.9293 23.9293 31.1405 31.1405 k = 0.1379 0.0796 0.2252 ( 1171 PWs) bands (ev): -53.2002 -53.2002 -25.1824 -25.1824 -24.2560 -24.2560 -24.1322 -24.1322 6.3294 6.3294 13.3132 13.3132 16.6896 16.6896 16.9673 16.9673 17.9744 17.9744 18.8265 18.8265 23.8169 23.8169 31.2915 31.2915 k = 0.1336 0.0771 0.2182 ( 1173 PWs) bands (ev): -53.2032 -53.2032 -25.1763 -25.1763 -24.2480 -24.2480 -24.1293 -24.1293 6.2402 6.2402 13.4128 13.4128 16.6931 16.6931 16.9331 16.9331 17.9984 17.9984 18.7882 18.7882 23.6994 23.6994 31.4455 31.4455 k = 0.1293 0.0747 0.2112 ( 1169 PWs) bands (ev): -53.2042 -53.2042 -25.1699 -25.1699 -24.2395 -24.2395 -24.1265 -24.1265 6.1534 6.1534 13.5156 13.5156 16.6976 16.6976 16.9000 16.9000 18.0258 18.0258 18.7629 18.7629 23.5791 23.5791 31.6036 31.6036 k = 0.1250 0.0722 0.2041 ( 1169 PWs) bands (ev): -53.2064 -53.2064 -25.1639 -25.1639 -24.2313 -24.2313 -24.1237 -24.1237 6.0684 6.0684 13.6192 13.6192 16.6970 16.6970 16.8676 16.8676 18.0510 18.0510 18.7346 18.7346 23.4527 23.4527 31.7651 31.7651 k = 0.1207 0.0697 0.1971 ( 1169 PWs) bands (ev): -53.2086 -53.2086 -25.1580 -25.1580 -24.2232 -24.2232 -24.1211 -24.1211 5.9855 5.9855 13.7248 13.7248 16.6938 16.6938 16.8362 16.8362 18.0765 18.0765 18.7089 18.7089 23.3226 23.3226 31.9301 31.9301 k = 0.1164 0.0672 0.1900 ( 1175 PWs) bands (ev): -53.2127 -53.2127 -25.1525 -25.1525 -24.2155 -24.2155 -24.1189 -24.1189 5.9043 5.9043 13.8292 13.8292 16.6858 16.6858 16.8043 16.8043 18.0967 18.0967 18.6835 18.6835 23.1840 23.1840 32.0978 32.0978 k = 0.1121 0.0647 0.1830 ( 1175 PWs) bands (ev): -53.2148 -53.2148 -25.1468 -25.1468 -24.2075 -24.2075 -24.1164 -24.1164 5.8257 5.8257 13.9382 13.9382 16.6777 16.6777 16.7750 16.7750 18.1224 18.1224 18.6628 18.6628 23.0475 23.0475 32.2703 32.2703 k = 0.1078 0.0622 0.1760 ( 1175 PWs) bands (ev): -53.2169 -53.2169 -25.1413 -25.1413 -24.1997 -24.1997 -24.1140 -24.1140 5.7495 5.7495 14.0488 14.0488 16.6674 16.6674 16.7470 16.7470 18.1482 18.1482 18.6445 18.6445 22.9084 22.9084 32.4465 32.4465 k = 0.1034 0.0597 0.1689 ( 1175 PWs) bands (ev): -53.2189 -53.2189 -25.1359 -25.1359 -24.1919 -24.1919 -24.1117 -24.1117 5.6756 5.6756 14.1610 14.1610 16.6550 16.6550 16.7202 16.7202 18.1739 18.1739 18.6283 18.6283 22.7671 22.7671 32.6264 32.6264 k = 0.0991 0.0572 0.1619 ( 1175 PWs) bands (ev): -53.2208 -53.2208 -25.1307 -25.1307 -24.1843 -24.1843 -24.1095 -24.1095 5.6042 5.6042 14.2744 14.2744 16.6406 16.6406 16.6947 16.6947 18.1995 18.1995 18.6143 18.6143 22.6239 22.6239 32.8101 32.8101 k = 0.0948 0.0547 0.1549 ( 1175 PWs) bands (ev): -53.2227 -53.2227 -25.1257 -25.1257 -24.1768 -24.1768 -24.1074 -24.1074 5.5353 5.5353 14.3891 14.3891 16.6245 16.6245 16.6707 16.6707 18.2249 18.2249 18.6022 18.6022 22.4792 22.4792 32.9974 32.9974 k = 0.0905 0.0523 0.1478 ( 1183 PWs) bands (ev): -53.2271 -53.2271 -25.1212 -25.1212 -24.1700 -24.1700 -24.1058 -24.1058 5.4684 5.4684 14.5012 14.5012 16.6055 16.6055 16.6461 16.6461 18.2364 18.2364 18.5889 18.5889 22.3299 22.3299 33.1881 33.1881 k = 0.0862 0.0498 0.1408 ( 1183 PWs) bands (ev): -53.2289 -53.2289 -25.1166 -25.1166 -24.1629 -24.1629 -24.1039 -24.1039 5.4047 5.4047 14.6176 14.6176 16.5867 16.5867 16.6249 16.6249 18.2608 18.2608 18.5801 18.5801 22.1836 22.1836 33.3828 33.3828 k = 0.0819 0.0473 0.1337 ( 1183 PWs) bands (ev): -53.2305 -53.2305 -25.1121 -25.1121 -24.1560 -24.1560 -24.1021 -24.1021 5.3438 5.3438 14.7345 14.7345 16.5674 16.5674 16.6046 16.6046 18.2847 18.2847 18.5727 18.5727 22.0371 22.0371 33.5809 33.5809 k = 0.0776 0.0448 0.1267 ( 1185 PWs) bands (ev): -53.2328 -53.2328 -25.1079 -25.1079 -24.1495 -24.1495 -24.1004 -24.1004 5.2855 5.2855 14.8518 14.8518 16.5479 16.5479 16.5848 16.5848 18.3034 18.3034 18.5644 18.5644 21.8909 21.8909 33.7825 33.7825 k = 0.0733 0.0423 0.1197 ( 1185 PWs) bands (ev): -53.2343 -53.2343 -25.1038 -25.1038 -24.1430 -24.1430 -24.0987 -24.0987 5.2301 5.2301 14.9691 14.9691 16.5288 16.5288 16.5658 16.5658 18.3260 18.3260 18.5594 18.5594 21.7452 21.7452 33.9874 33.9874 k = 0.0690 0.0398 0.1126 ( 1185 PWs) bands (ev): -53.2358 -53.2358 -25.1000 -25.1000 -24.1368 -24.1368 -24.0972 -24.0972 5.1776 5.1776 15.0861 15.0861 16.5104 16.5104 16.5474 16.5474 18.3478 18.3478 18.5553 18.5553 21.6008 21.6008 34.1956 34.1956 k = 0.0647 0.0373 0.1056 ( 1189 PWs) bands (ev): -53.2385 -53.2385 -25.0965 -25.0965 -24.1313 -24.1313 -24.0958 -24.0958 5.1278 5.1278 15.2016 15.2016 16.4905 16.4905 16.5253 16.5253 18.3680 18.3680 18.5481 18.5481 21.4575 21.4575 34.4062 34.4062 k = 0.0603 0.0348 0.0985 ( 1189 PWs) bands (ev): -53.2398 -53.2398 -25.0931 -25.0931 -24.1257 -24.1257 -24.0944 -24.0944 5.0812 5.0812 15.3167 15.3167 16.4736 16.4736 16.5079 16.5079 18.3881 18.3881 18.5457 18.5457 21.3170 21.3170 34.6203 34.6203 k = 0.0560 0.0324 0.0915 ( 1189 PWs) bands (ev): -53.2410 -53.2410 -25.0899 -25.0899 -24.1204 -24.1204 -24.0931 -24.0931 5.0376 5.0376 15.4303 15.4303 16.4576 16.4576 16.4913 16.4913 18.4072 18.4072 18.5439 18.5439 21.1794 21.1794 34.8370 34.8370 k = 0.0517 0.0299 0.0845 ( 1189 PWs) bands (ev): -53.2421 -53.2421 -25.0869 -25.0869 -24.1154 -24.1154 -24.0920 -24.0920 4.9971 4.9971 15.5416 15.5416 16.4426 16.4426 16.4756 16.4756 18.4253 18.4253 18.5426 18.5426 21.0453 21.0453 35.0561 35.0561 k = 0.0474 0.0274 0.0774 ( 1201 PWs) bands (ev): -53.2470 -53.2470 -25.0847 -25.0847 -24.1112 -24.1112 -24.0919 -24.0919 4.9591 4.9591 15.6475 15.6475 16.4182 16.4182 16.4518 16.4518 18.4365 18.4365 18.5320 18.5320 20.9148 20.9148 35.2766 35.2766 k = 0.0431 0.0249 0.0704 ( 1201 PWs) bands (ev): -53.2480 -53.2480 -25.0822 -25.0822 -24.1069 -24.1069 -24.0909 -24.0909 4.9248 4.9248 15.7522 15.7522 16.4052 16.4052 16.4381 16.4381 18.4522 18.4522 18.5313 18.5313 20.7904 20.7904 35.4993 35.4993 k = 0.0388 0.0224 0.0633 ( 1201 PWs) bands (ev): -53.2488 -53.2488 -25.0799 -25.0799 -24.1029 -24.1029 -24.0900 -24.0900 4.8937 4.8937 15.8523 15.8523 16.3934 16.3934 16.4256 16.4256 18.4667 18.4667 18.5309 18.5309 20.6722 20.6722 35.7230 35.7230 k = 0.0345 0.0199 0.0563 ( 1205 PWs) bands (ev): -53.2509 -53.2509 -25.0781 -25.0781 -24.0996 -24.0996 -24.0894 -24.0894 4.8655 4.8655 15.9429 15.9429 16.3814 16.3814 16.4136 16.4136 18.4793 18.4793 18.5248 18.5248 20.5606 20.5606 35.9469 35.9469 k = 0.0302 0.0174 0.0493 ( 1205 PWs) bands (ev): -53.2515 -53.2515 -25.0762 -25.0762 -24.0964 -24.0964 -24.0887 -24.0887 4.8408 4.8408 16.0307 16.0307 16.3719 16.3719 16.4037 16.4037 18.4912 18.4912 18.5248 18.5248 20.4582 20.4582 36.1699 36.1699 k = 0.0259 0.0149 0.0422 ( 1209 PWs) bands (ev): -53.2533 -53.2533 -25.0749 -25.0749 -24.0939 -24.0939 -24.0884 -24.0884 4.8191 4.8191 16.1084 16.1084 16.3612 16.3612 16.3935 16.3935 18.4952 18.4952 18.5245 18.5245 20.3652 20.3652 36.3905 36.3905 k = 0.0216 0.0124 0.0352 ( 1209 PWs) bands (ev): -53.2538 -53.2538 -25.0735 -25.0735 -24.0915 -24.0915 -24.0879 -24.0879 4.8010 4.8010 16.1788 16.1788 16.3542 16.3542 16.3865 16.3865 18.5041 18.5041 18.5247 18.5247 20.2835 20.2835 36.6063 36.6063 k = 0.0172 0.0100 0.0282 ( 1217 PWs) bands (ev): -53.2568 -53.2568 -25.0728 -25.0728 -24.0901 -24.0901 -24.0878 -24.0878 4.7856 4.7856 16.2277 16.2277 16.3456 16.3456 16.3788 16.3788 18.5033 18.5033 18.5240 18.5240 20.2137 20.2137 36.8134 36.8134 k = 0.0129 0.0075 0.0211 ( 1223 PWs) bands (ev): -53.2590 -53.2590 -25.0722 -25.0722 -24.0893 -24.0893 -24.0875 -24.0875 4.7736 4.7736 16.2728 16.2728 16.3367 16.3367 16.3703 16.3703 18.5059 18.5059 18.5194 18.5194 20.1583 20.1583 37.0052 37.0052 k = 0.0086 0.0050 0.0141 ( 1221 PWs) bands (ev): -53.2586 -53.2586 -25.0715 -25.0715 -24.0881 -24.0881 -24.0871 -24.0871 4.7654 4.7654 16.3064 16.3064 16.3334 16.3334 16.3699 16.3699 18.5101 18.5101 18.5257 18.5257 20.1179 20.1179 37.1703 37.1703 k = 0.0043 0.0025 0.0070 ( 1217 PWs) bands (ev): -53.2574 -53.2574 -25.0710 -25.0710 -24.0872 -24.0872 -24.0867 -24.0867 4.7607 4.7607 16.3245 16.3245 16.3325 16.3325 16.3728 16.3728 18.5220 18.5220 18.5289 18.5289 20.0932 20.0932 37.2884 37.2884 k = 0.0000 0.0000 0.0000 ( 1211 PWs) bands (ev): -53.2555 -53.2555 -25.0706 -25.0706 -24.0865 -24.0865 -24.0865 -24.0865 4.7595 4.7595 16.3335 16.3335 16.3335 16.3335 16.3769 16.3769 18.5320 18.5320 18.5320 18.5320 20.0849 20.0849 37.3326 37.3326 k = 0.0000 0.0000 0.0000 ( 1211 PWs) bands (ev): -53.2555 -53.2555 -25.0706 -25.0706 -24.0865 -24.0865 -24.0865 -24.0865 4.7595 4.7595 16.3335 16.3335 16.3335 16.3335 16.3769 16.3769 18.5320 18.5320 18.5320 18.5320 20.0849 20.0849 37.3326 37.3326 k = 0.0070 0.0041 0.0029 ( 1215 PWs) bands (ev): -53.2568 -53.2568 -25.0709 -25.0709 -24.0871 -24.0871 -24.0867 -24.0867 4.7609 4.7609 16.3253 16.3253 16.3340 16.3340 16.3740 16.3740 18.5270 18.5270 18.5270 18.5270 20.0932 20.0932 37.2883 37.2883 k = 0.0141 0.0081 0.0057 ( 1227 PWs) bands (ev): -53.2605 -53.2605 -25.0718 -25.0718 -24.0883 -24.0883 -24.0876 -24.0876 4.7651 4.7651 16.3051 16.3051 16.3298 16.3298 16.3666 16.3666 18.5117 18.5117 18.5118 18.5118 20.1179 20.1179 37.1694 37.1694 k = 0.0211 0.0122 0.0086 ( 1227 PWs) bands (ev): -53.2603 -53.2603 -25.0724 -25.0724 -24.0895 -24.0895 -24.0878 -24.0878 4.7734 4.7734 16.2730 16.2730 16.3330 16.3330 16.3668 16.3668 18.5094 18.5094 18.5097 18.5097 20.1584 20.1584 37.0021 37.0021 k = 0.0282 0.0163 0.0115 ( 1224 PWs) bands (ev): -53.2591 -53.2591 -25.0731 -25.0731 -24.0907 -24.0907 -24.0880 -24.0880 4.7852 4.7852 16.2323 16.2323 16.3381 16.3381 16.3705 16.3705 18.5071 18.5071 18.5077 18.5077 20.2141 20.2141 36.8066 36.8066 k = 0.0352 0.0203 0.0144 ( 1212 PWs) bands (ev): -53.2548 -53.2548 -25.0737 -25.0737 -24.0918 -24.0918 -24.0880 -24.0880 4.8008 4.8008 16.1798 16.1798 16.3499 16.3499 16.3817 16.3817 18.5133 18.5133 18.5144 18.5144 20.2836 20.2836 36.5947 36.5947 k = 0.0423 0.0244 0.0172 ( 1209 PWs) bands (ev): -53.2534 -53.2534 -25.0749 -25.0749 -24.0940 -24.0940 -24.0883 -24.0883 4.8192 4.8192 16.1099 16.1099 16.3601 16.3601 16.3917 16.3917 18.5094 18.5094 18.5109 18.5109 20.3653 20.3653 36.3727 36.3727 k = 0.0493 0.0285 0.0201 ( 1209 PWs) bands (ev): -53.2529 -53.2529 -25.0764 -25.0764 -24.0969 -24.0969 -24.0888 -24.0888 4.8406 4.8406 16.0307 16.0307 16.3681 16.3681 16.3997 16.3997 18.5040 18.5040 18.5060 18.5060 20.4579 20.4579 36.1446 36.1446 k = 0.0563 0.0325 0.0230 ( 1209 PWs) bands (ev): -53.2522 -53.2522 -25.0783 -25.0783 -24.1002 -24.1002 -24.0893 -24.0893 4.8653 4.8653 15.9437 15.9437 16.3772 16.3772 16.4089 16.4089 18.4980 18.4980 18.5005 18.5005 20.5602 20.5602 35.9131 35.9131 k = 0.0634 0.0366 0.0259 ( 1209 PWs) bands (ev): -53.2515 -53.2515 -25.0803 -25.0803 -24.1039 -24.1039 -24.0900 -24.0900 4.8932 4.8932 15.8501 15.8501 16.3874 16.3874 16.4195 16.4195 18.4914 18.4914 18.4946 18.4946 20.6709 20.6709 35.6796 35.6796 k = 0.0704 0.0407 0.0287 ( 1209 PWs) bands (ev): -53.2507 -53.2507 -25.0826 -25.0826 -24.1080 -24.1080 -24.0907 -24.0907 4.9243 4.9243 15.7510 15.7510 16.3987 16.3987 16.4311 16.4311 18.4844 18.4844 18.4882 18.4882 20.7887 20.7887 35.4453 35.4453 k = 0.0775 0.0447 0.0316 ( 1209 PWs) bands (ev): -53.2497 -53.2497 -25.0852 -25.0852 -24.1125 -24.1125 -24.0915 -24.0915 4.9585 4.9585 15.6474 15.6474 16.4110 16.4110 16.4439 16.4439 18.4770 18.4770 18.4816 18.4816 20.9125 20.9125 35.2109 35.2109 k = 0.0845 0.0488 0.0345 ( 1203 PWs) bands (ev): -53.2467 -53.2467 -25.0876 -25.0876 -24.1171 -24.1171 -24.0918 -24.0918 4.9962 4.9962 15.5423 15.5423 16.4280 16.4280 16.4614 16.4614 18.4743 18.4743 18.4795 18.4795 21.0421 21.0421 34.9772 34.9772 k = 0.0915 0.0529 0.0374 ( 1203 PWs) bands (ev): -53.2456 -53.2456 -25.0906 -25.0906 -24.1223 -24.1223 -24.0928 -24.0928 5.0366 5.0366 15.4323 15.4323 16.4420 16.4420 16.4760 16.4760 18.4662 18.4662 18.4724 18.4724 21.1753 21.1753 34.7442 34.7442 k = 0.0986 0.0569 0.0402 ( 1203 PWs) bands (ev): -53.2444 -53.2444 -25.0939 -25.0939 -24.1278 -24.1278 -24.0937 -24.0937 5.0800 5.0800 15.3202 15.3202 16.4568 16.4568 16.4915 16.4915 18.4581 18.4581 18.4652 18.4652 21.3119 21.3119 34.5124 34.5124 k = 0.1056 0.0610 0.0431 ( 1203 PWs) bands (ev): -53.2431 -53.2431 -25.0973 -25.0973 -24.1337 -24.1337 -24.0948 -24.0948 5.1264 5.1264 15.2065 15.2065 16.4723 16.4723 16.5077 16.5077 18.4500 18.4500 18.4581 18.4581 21.4512 21.4512 34.2821 34.2821 k = 0.1127 0.0651 0.0460 ( 1203 PWs) bands (ev): -53.2417 -53.2417 -25.1010 -25.1010 -24.1399 -24.1399 -24.0959 -24.0959 5.1757 5.1757 15.0919 15.0919 16.4882 16.4882 16.5246 16.5246 18.4419 18.4419 18.4511 18.4511 21.5924 21.5924 34.0535 34.0535 k = 0.1197 0.0691 0.0489 ( 1197 PWs) bands (ev): -53.2383 -53.2383 -25.1046 -25.1046 -24.1458 -24.1458 -24.0970 -24.0970 5.2283 5.2283 14.9823 14.9823 16.5060 16.5060 16.5434 16.5434 18.4373 18.4373 18.4477 18.4477 21.7391 21.7391 33.8284 33.8284 k = 0.1268 0.0732 0.0517 ( 1197 PWs) bands (ev): -53.2367 -53.2367 -25.1087 -25.1087 -24.1525 -24.1525 -24.0982 -24.0982 5.2832 5.2832 14.8666 14.8666 16.5227 16.5227 16.5610 16.5610 18.4299 18.4299 18.4415 18.4415 21.8827 21.8827 33.6035 33.6035 k = 0.1338 0.0773 0.0546 ( 1185 PWs) bands (ev): -53.2312 -53.2312 -25.1125 -25.1125 -24.1591 -24.1591 -24.0985 -24.0985 5.3415 5.3415 14.7551 14.7551 16.5495 16.5495 16.5886 16.5886 18.4283 18.4283 18.4409 18.4409 22.0304 22.0304 33.3817 33.3817 k = 0.1408 0.0813 0.0575 ( 1185 PWs) bands (ev): -53.2295 -53.2295 -25.1171 -25.1171 -24.1663 -24.1663 -24.0998 -24.0998 5.4019 5.4019 14.6399 14.6399 16.5665 16.5665 16.6067 16.6067 18.4219 18.4219 18.4359 18.4359 22.1742 22.1742 33.1609 33.1609 k = 0.1479 0.0854 0.0604 ( 1185 PWs) bands (ev): -53.2278 -53.2278 -25.1218 -25.1218 -24.1738 -24.1738 -24.1012 -24.1012 5.4648 5.4648 14.5254 14.5254 16.5834 16.5834 16.6247 16.6247 18.4163 18.4163 18.4317 18.4317 22.3173 22.3173 32.9422 32.9422 k = 0.1549 0.0894 0.0632 ( 1185 PWs) bands (ev): -53.2260 -53.2260 -25.1268 -25.1268 -24.1814 -24.1814 -24.1026 -24.1026 5.5302 5.5302 14.4120 14.4120 16.6001 16.6001 16.6426 16.6426 18.4118 18.4118 18.4286 18.4286 22.4592 22.4592 32.7256 32.7256 k = 0.1620 0.0935 0.0661 ( 1173 PWs) bands (ev): -53.2202 -53.2202 -25.1313 -25.1313 -24.1884 -24.1884 -24.1035 -24.1035 5.5988 5.5988 14.3004 14.3004 16.6212 16.6212 16.6650 16.6650 18.4226 18.4226 18.4410 18.4410 22.6002 22.6002 32.5118 32.5118 k = 0.1690 0.0976 0.0690 ( 1173 PWs) bands (ev): -53.2184 -53.2184 -25.1367 -25.1367 -24.1964 -24.1964 -24.1050 -24.1050 5.6690 5.6690 14.1894 14.1894 16.6367 16.6367 16.6818 16.6818 18.4205 18.4205 18.4403 18.4403 22.7383 22.7383 32.2998 32.2998 k = 0.1761 0.1016 0.0719 ( 1173 PWs) bands (ev): -53.2164 -53.2164 -25.1422 -25.1422 -24.2045 -24.2045 -24.1065 -24.1065 5.7414 5.7414 14.0800 14.0800 16.6515 16.6515 16.6979 16.6979 18.4199 18.4199 18.4412 18.4412 22.8739 22.8739 32.0901 32.0901 k = 0.1831 0.1057 0.0747 ( 1173 PWs) bands (ev): -53.2144 -53.2144 -25.1479 -25.1479 -24.2127 -24.2127 -24.1081 -24.1081 5.8159 5.8159 13.9723 13.9723 16.6655 16.6655 16.7131 16.7131 18.4210 18.4210 18.4438 18.4438 23.0063 23.0063 31.8827 31.8827 k = 0.1901 0.1098 0.0776 ( 1173 PWs) bands (ev): -53.2124 -53.2124 -25.1538 -25.1538 -24.2210 -24.2210 -24.1097 -24.1097 5.8924 5.8924 13.8665 13.8665 16.6785 16.6785 16.7274 16.7274 18.4239 18.4239 18.4482 18.4482 23.1354 23.1354 31.6779 31.6779 k = 0.1972 0.1138 0.0805 ( 1173 PWs) bands (ev): -53.2103 -53.2103 -25.1598 -25.1598 -24.2293 -24.2293 -24.1113 -24.1113 5.9708 5.9708 13.7626 13.7626 16.6905 16.6905 16.7405 16.7405 18.4288 18.4288 18.4546 18.4546 23.2605 23.2605 31.4755 31.4755 k = 0.2042 0.1179 0.0834 ( 1173 PWs) bands (ev): -53.2081 -53.2081 -25.1660 -25.1660 -24.2378 -24.2378 -24.1130 -24.1130 6.0511 6.0511 13.6608 13.6608 16.7011 16.7011 16.7523 16.7523 18.4358 18.4358 18.4630 18.4630 23.3812 23.3812 31.2758 31.2758 k = 0.2113 0.1220 0.0862 ( 1173 PWs) bands (ev): -53.2059 -53.2059 -25.1723 -25.1723 -24.2462 -24.2462 -24.1147 -24.1147 6.1330 6.1330 13.5612 13.5612 16.7105 16.7105 16.7628 16.7628 18.4450 18.4450 18.4735 18.4735 23.4972 23.4972 31.0789 31.0789 k = 0.2183 0.1260 0.0891 ( 1179 PWs) bands (ev): -53.2056 -53.2056 -25.1791 -25.1791 -24.2552 -24.2552 -24.1165 -24.1165 6.2160 6.2160 13.4593 13.4593 16.7182 16.7182 16.7716 16.7716 18.4517 18.4517 18.4815 18.4815 23.6010 23.6010 30.8833 30.8833 k = 0.2254 0.1301 0.0920 ( 1179 PWs) bands (ev): -53.2034 -53.2034 -25.1857 -25.1857 -24.2636 -24.2636 -24.1182 -24.1182 6.3008 6.3008 13.3645 13.3645 16.7247 16.7247 16.7790 16.7790 18.4653 18.4653 18.4964 18.4964 23.7057 23.7057 30.6923 30.6923 k = 0.2324 0.1342 0.0949 ( 1179 PWs) bands (ev): -53.2012 -53.2012 -25.1926 -25.1926 -24.2723 -24.2723 -24.1195 -24.1195 6.3866 6.3866 13.2660 13.2660 16.7321 16.7321 16.7871 16.7871 18.4867 18.4867 18.5188 18.5188 23.7932 23.7932 30.5025 30.5025 k = 0.2394 0.1382 0.0977 ( 1179 PWs) bands (ev): -53.1990 -53.1990 -25.1994 -25.1994 -24.2806 -24.2806 -24.1213 -24.1213 6.4737 6.4737 13.1762 13.1762 16.7357 16.7357 16.7914 16.7914 18.5048 18.5048 18.5378 18.5378 23.8847 23.8847 30.3181 30.3181 k = 0.2465 0.1423 0.1006 ( 1179 PWs) bands (ev): -53.1968 -53.1968 -25.2062 -25.2062 -24.2889 -24.2889 -24.1230 -24.1230 6.5617 6.5617 13.0891 13.0891 16.7377 16.7377 16.7941 16.7941 18.5252 18.5252 18.5591 18.5591 23.9692 23.9692 30.1373 30.1373 k = 0.2535 0.1464 0.1035 ( 1179 PWs) bands (ev): -53.1945 -53.1945 -25.2132 -25.2132 -24.2971 -24.2971 -24.1247 -24.1247 6.6504 6.6504 13.0047 13.0047 16.7382 16.7382 16.7952 16.7952 18.5478 18.5478 18.5826 18.5826 24.0464 24.0464 29.9604 29.9604 k = 0.2606 0.1504 0.1064 ( 1176 PWs) bands (ev): -53.1913 -53.1913 -25.2200 -25.2200 -24.3050 -24.3050 -24.1264 -24.1264 6.7404 6.7404 12.9255 12.9255 16.7373 16.7373 16.7948 16.7948 18.5731 18.5731 18.6085 18.6085 24.1240 24.1240 29.7897 29.7897 k = 0.2676 0.1545 0.1092 ( 1176 PWs) bands (ev): -53.1891 -53.1891 -25.2271 -25.2271 -24.3130 -24.3130 -24.1282 -24.1282 6.8301 6.8301 12.8467 12.8467 16.7350 16.7350 16.7928 16.7928 18.6001 18.6001 18.6361 18.6361 24.1856 24.1856 29.6214 29.6214 k = 0.2746 0.1586 0.1121 ( 1170 PWs) bands (ev): -53.1850 -53.1850 -25.2338 -25.2338 -24.3205 -24.3205 -24.1297 -24.1297 6.9209 6.9209 12.7721 12.7721 16.7323 16.7323 16.7904 16.7904 18.6358 18.6358 18.6723 18.6723 24.2435 24.2435 29.4587 29.4587 k = 0.2817 0.1626 0.1150 ( 1170 PWs) bands (ev): -53.1828 -53.1828 -25.2410 -25.2410 -24.3283 -24.3283 -24.1314 -24.1314 7.0109 7.0109 12.6994 12.6994 16.7273 16.7273 16.7856 16.7856 18.6665 18.6665 18.7033 18.7033 24.2882 24.2882 29.3001 29.3001 k = 0.2887 0.1667 0.1179 ( 1164 PWs) bands (ev): -53.1787 -53.1787 -25.2477 -25.2477 -24.3354 -24.3354 -24.1330 -24.1330 7.1017 7.1017 12.6318 12.6318 16.7216 16.7216 16.7800 16.7800 18.7044 18.7044 18.7415 18.7415 24.3320 24.3320 29.1484 29.1484 k = 0.2958 0.1708 0.1207 ( 1164 PWs) bands (ev): -53.1766 -53.1766 -25.2548 -25.2548 -24.3429 -24.3429 -24.1347 -24.1347 7.1910 7.1910 12.5652 12.5652 16.7146 16.7146 16.7729 16.7729 18.7380 18.7380 18.7753 18.7753 24.3590 24.3590 29.0008 29.0008 k = 0.3028 0.1748 0.1236 ( 1170 PWs) bands (ev): -53.1764 -53.1764 -25.2622 -25.2622 -24.3505 -24.3505 -24.1366 -24.1366 7.2794 7.2794 12.5013 12.5013 16.7052 16.7052 16.7635 16.7635 18.7643 18.7643 18.8018 18.8018 24.3759 24.3759 28.8591 28.8591 k = 0.3099 0.1789 0.1265 ( 1170 PWs) bands (ev): -53.1744 -53.1744 -25.2692 -25.2692 -24.3576 -24.3576 -24.1382 -24.1382 7.3671 7.3671 12.4414 12.4414 16.6964 16.6964 16.7547 16.7547 18.8002 18.8002 18.8378 18.8378 24.3851 24.3851 28.7238 28.7238 k = 0.3169 0.1830 0.1294 ( 1170 PWs) bands (ev): -53.1723 -53.1723 -25.2761 -25.2761 -24.3645 -24.3645 -24.1398 -24.1398 7.4538 7.4538 12.3848 12.3848 16.6870 16.6870 16.7451 16.7451 18.8369 18.8369 18.8745 18.8745 24.3854 24.3854 28.5949 28.5949 k = 0.3239 0.1870 0.1322 ( 1170 PWs) bands (ev): -53.1703 -53.1703 -25.2830 -25.2830 -24.3712 -24.3712 -24.1413 -24.1413 7.5390 7.5390 12.3317 12.3317 16.6770 16.6770 16.7349 16.7349 18.8743 18.8743 18.9119 18.9119 24.3771 24.3771 28.4727 28.4727 k = 0.3310 0.1911 0.1351 ( 1167 PWs) bands (ev): -53.1675 -53.1675 -25.2896 -25.2896 -24.3774 -24.3774 -24.1428 -24.1428 7.6231 7.6231 12.2822 12.2822 16.6669 16.6669 16.7246 16.7246 18.9164 18.9164 18.9539 18.9539 24.3621 24.3621 28.3574 28.3574 k = 0.3380 0.1952 0.1380 ( 1167 PWs) bands (ev): -53.1655 -53.1655 -25.2962 -25.2962 -24.3837 -24.3837 -24.1443 -24.1443 7.7050 7.7050 12.2360 12.2360 16.6562 16.6562 16.7136 16.7136 18.9545 18.9545 18.9920 18.9920 24.3377 24.3377 28.2487 28.2487 k = 0.3451 0.1992 0.1409 ( 1173 PWs) bands (ev): -53.1656 -53.1656 -25.3031 -25.3031 -24.3900 -24.3900 -24.1461 -24.1461 7.7847 7.7847 12.1932 12.1932 16.6424 16.6424 16.6997 16.6997 18.9847 18.9847 19.0221 19.0221 24.3057 24.3057 28.1468 28.1468 k = 0.3521 0.2033 0.1437 ( 1173 PWs) bands (ev): -53.1638 -53.1638 -25.3094 -25.3094 -24.3958 -24.3958 -24.1475 -24.1475 7.8621 7.8621 12.1540 12.1540 16.6313 16.6313 16.6883 16.6883 19.0226 19.0226 19.0599 19.0599 24.2672 24.2672 28.0518 28.0518 k = 0.3592 0.2074 0.1466 ( 1170 PWs) bands (ev): -53.1611 -53.1611 -25.3154 -25.3154 -24.4011 -24.4011 -24.1488 -24.1488 7.9380 7.9380 12.1190 12.1190 16.6202 16.6202 16.6770 16.6770 19.0617 19.0617 19.0989 19.0989 24.2304 24.2304 27.9639 27.9639 k = 0.3662 0.2114 0.1495 ( 1170 PWs) bands (ev): -53.1595 -53.1595 -25.3214 -25.3214 -24.4064 -24.4064 -24.1501 -24.1501 8.0102 8.0102 12.0866 12.0866 16.6090 16.6090 16.6656 16.6656 19.0988 19.0988 19.1358 19.1358 24.1806 24.1806 27.8819 27.8819 k = 0.3732 0.2155 0.1524 ( 1167 PWs) bands (ev): -53.1569 -53.1569 -25.3271 -25.3271 -24.4113 -24.4113 -24.1512 -24.1512 8.0795 8.0795 12.0575 12.0575 16.5997 16.5997 16.6560 16.6560 19.1386 19.1386 19.1755 19.1755 24.1265 24.1265 27.8061 27.8061 k = 0.3803 0.2196 0.1552 ( 1167 PWs) bands (ev): -53.1554 -53.1554 -25.3326 -25.3326 -24.4161 -24.4161 -24.1524 -24.1524 8.1455 8.1455 12.0317 12.0317 16.5889 16.5889 16.6450 16.6450 19.1742 19.1742 19.2109 19.2109 24.0688 24.0688 27.7363 27.7363 k = 0.3873 0.2236 0.1581 ( 1167 PWs) bands (ev): -53.1539 -53.1539 -25.3380 -25.3380 -24.4206 -24.4206 -24.1536 -24.1536 8.2082 8.2082 12.0091 12.0091 16.5784 16.5784 16.6342 16.6342 19.2087 19.2087 19.2453 19.2453 24.0086 24.0086 27.6722 27.6722 k = 0.3944 0.2277 0.1610 ( 1173 PWs) bands (ev): -53.1544 -53.1544 -25.3435 -25.3435 -24.4253 -24.4253 -24.1548 -24.1548 8.2666 8.2666 11.9885 11.9885 16.5671 16.5671 16.6226 16.6226 19.2349 19.2349 19.2713 19.2713 23.9422 23.9422 27.6135 27.6135 k = 0.4014 0.2318 0.1639 ( 1173 PWs) bands (ev): -53.1531 -53.1531 -25.3484 -25.3484 -24.4293 -24.4293 -24.1559 -24.1559 8.3220 8.3220 11.9719 11.9719 16.5572 16.5572 16.6125 16.6125 19.2668 19.2668 19.3031 19.3031 23.8795 23.8795 27.5599 27.5599 k = 0.4085 0.2358 0.1667 ( 1173 PWs) bands (ev): -53.1519 -53.1519 -25.3530 -25.3530 -24.4330 -24.4330 -24.1568 -24.1568 8.3738 8.3738 11.9580 11.9580 16.5478 16.5478 16.6029 16.6029 19.2973 19.2973 19.3335 19.3335 23.8169 23.8169 27.5112 27.5112 k = 0.4155 0.2399 0.1696 ( 1176 PWs) bands (ev): -53.1517 -53.1517 -25.3575 -25.3575 -24.4367 -24.4367 -24.1577 -24.1577 8.4204 8.4204 11.9454 11.9454 16.5389 16.5389 16.5938 16.5938 19.3257 19.3257 19.3617 19.3617 23.7458 23.7458 27.4670 27.4670 k = 0.4225 0.2440 0.1725 ( 1170 PWs) bands (ev): -53.1487 -53.1487 -25.3613 -25.3613 -24.4396 -24.4396 -24.1581 -24.1581 8.4643 8.4643 11.9366 11.9366 16.5355 16.5355 16.5901 16.5901 19.3562 19.3562 19.3921 19.3921 23.6908 23.6908 27.4272 27.4272 k = 0.4296 0.2480 0.1754 ( 1170 PWs) bands (ev): -53.1477 -53.1477 -25.3650 -25.3650 -24.4425 -24.4425 -24.1589 -24.1589 8.5043 8.5043 11.9296 11.9296 16.5278 16.5278 16.5822 16.5822 19.3814 19.3814 19.4172 19.4172 23.6333 23.6333 27.3915 27.3915 k = 0.4366 0.2521 0.1782 ( 1176 PWs) bands (ev): -53.1488 -53.1488 -25.3687 -25.3687 -24.4455 -24.4455 -24.1600 -24.1600 8.5403 8.5403 11.9242 11.9242 16.5182 16.5182 16.5725 16.5725 19.3958 19.3958 19.4315 19.4315 23.5776 23.5776 27.3597 27.3597 k = 0.4437 0.2561 0.1811 ( 1176 PWs) bands (ev): -53.1480 -53.1480 -25.3717 -25.3717 -24.4478 -24.4478 -24.1606 -24.1606 8.5724 8.5724 11.9204 11.9204 16.5117 16.5117 16.5658 16.5658 19.4168 19.4168 19.4524 19.4524 23.5273 23.5273 27.3316 27.3316 k = 0.4507 0.2602 0.1840 ( 1176 PWs) bands (ev): -53.1473 -53.1473 -25.3744 -25.3744 -24.4499 -24.4499 -24.1612 -24.1612 8.6007 8.6007 11.9178 11.9178 16.5059 16.5059 16.5599 16.5599 19.4355 19.4355 19.4710 19.4710 23.4815 23.4815 27.3072 27.3072 k = 0.4577 0.2643 0.1869 ( 1170 PWs) bands (ev): -53.1447 -53.1447 -25.3765 -25.3765 -24.4514 -24.4514 -24.1613 -24.1613 8.6252 8.6252 11.9162 11.9162 16.5037 16.5037 16.5576 16.5576 19.4602 19.4602 19.4957 19.4957 23.4408 23.4408 27.2863 27.2863 k = 0.4648 0.2683 0.1897 ( 1170 PWs) bands (ev): -53.1442 -53.1442 -25.3785 -25.3785 -24.4530 -24.4530 -24.1617 -24.1617 8.6457 8.6457 11.9153 11.9153 16.4993 16.4993 16.5531 16.5531 19.4742 19.4742 19.5096 19.5096 23.4055 23.4055 27.2687 27.2687 k = 0.4718 0.2724 0.1926 ( 1170 PWs) bands (ev): -53.1438 -53.1438 -25.3802 -25.3802 -24.4542 -24.4542 -24.1621 -24.1621 8.6624 8.6624 11.9149 11.9149 16.4957 16.4957 16.5495 16.5495 19.4857 19.4857 19.5210 19.5210 23.3761 23.3761 27.2544 27.2544 k = 0.4789 0.2765 0.1955 ( 1170 PWs) bands (ev): -53.1435 -53.1435 -25.3815 -25.3815 -24.4552 -24.4552 -24.1623 -24.1623 8.6753 8.6753 11.9147 11.9147 16.4929 16.4929 16.5466 16.5466 19.4947 19.4947 19.5300 19.5300 23.3528 23.3528 27.2434 27.2434 k = 0.4859 0.2805 0.1984 ( 1170 PWs) bands (ev): -53.1433 -53.1433 -25.3824 -25.3824 -24.4559 -24.4559 -24.1625 -24.1625 8.6845 8.6845 11.9148 11.9148 16.4909 16.4909 16.5445 16.5445 19.5012 19.5012 19.5365 19.5365 23.3361 23.3361 27.2356 27.2356 k = 0.4930 0.2846 0.2012 ( 1170 PWs) bands (ev): -53.1431 -53.1431 -25.3830 -25.3830 -24.4563 -24.4563 -24.1626 -24.1626 8.6901 8.6901 11.9148 11.9148 16.4897 16.4897 16.5433 16.5433 19.5051 19.5051 19.5404 19.5404 23.3259 23.3259 27.2309 27.2309 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -53.1431 -53.1431 -25.3832 -25.3832 -24.4565 -24.4565 -24.1627 -24.1627 8.6919 8.6919 11.9148 11.9148 16.4893 16.4893 16.5429 16.5429 19.5064 19.5064 19.5417 19.5417 23.3225 23.3225 27.2293 27.2293 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -53.1431 -53.1431 -25.3832 -25.3832 -24.4565 -24.4565 -24.1627 -24.1627 8.6919 8.6919 11.9148 11.9148 16.4893 16.4893 16.5429 16.5429 19.5064 19.5064 19.5417 19.5417 23.3225 23.3225 27.2293 27.2293 k = 0.5025 0.2815 0.2082 ( 1170 PWs) bands (ev): -53.1430 -53.1430 -25.3831 -25.3831 -24.4565 -24.4565 -24.1628 -24.1628 8.6933 8.6933 11.9140 11.9140 16.4888 16.4888 16.5425 16.5425 19.5070 19.5070 19.5423 19.5423 23.3221 23.3221 27.2323 27.2323 k = 0.5050 0.2742 0.2123 ( 1170 PWs) bands (ev): -53.1429 -53.1429 -25.3831 -25.3831 -24.4566 -24.4566 -24.1633 -24.1633 8.6976 8.6976 11.9114 11.9114 16.4870 16.4870 16.5420 16.5420 19.5085 19.5085 19.5444 19.5444 23.3208 23.3208 27.2411 27.2411 k = 0.5075 0.2670 0.2164 ( 1170 PWs) bands (ev): -53.1428 -53.1428 -25.3830 -25.3830 -24.4569 -24.4569 -24.1640 -24.1640 8.7047 8.7047 11.9072 11.9072 16.4822 16.4822 16.5429 16.5429 19.5102 19.5102 19.5488 19.5488 23.3186 23.3186 27.2556 27.2556 k = 0.5100 0.2598 0.2205 ( 1170 PWs) bands (ev): -53.1426 -53.1426 -25.3829 -25.3829 -24.4572 -24.4572 -24.1651 -24.1651 8.7146 8.7146 11.9013 11.9013 16.4729 16.4729 16.5468 16.5468 19.5112 19.5112 19.5563 19.5563 23.3155 23.3155 27.2758 27.2758 k = 0.5125 0.2526 0.2245 ( 1172 PWs) bands (ev): -53.1430 -53.1430 -25.3829 -25.3829 -24.4577 -24.4577 -24.1667 -24.1667 8.7273 8.7273 11.8938 11.8938 16.4578 16.4578 16.5502 16.5502 19.5096 19.5096 19.5694 19.5694 23.3088 23.3088 27.3014 27.3014 k = 0.5150 0.2454 0.2286 ( 1176 PWs) bands (ev): -53.1440 -53.1440 -25.3829 -25.3829 -24.4584 -24.4584 -24.1686 -24.1686 8.7428 8.7428 11.8847 11.8847 16.4375 16.4375 16.5582 16.5582 19.5045 19.5045 19.5761 19.5761 23.3039 23.3039 27.3321 27.3321 k = 0.5175 0.2382 0.2327 ( 1176 PWs) bands (ev): -53.1437 -53.1437 -25.3828 -25.3828 -24.4590 -24.4590 -24.1705 -24.1705 8.7610 8.7610 11.8740 11.8740 16.4138 16.4138 16.5721 16.5721 19.5019 19.5019 19.5941 19.5941 23.2982 23.2982 27.3677 27.3677 k = 0.5200 0.2309 0.2368 ( 1174 PWs) bands (ev): -53.1427 -53.1427 -25.3825 -25.3825 -24.4595 -24.4595 -24.1726 -24.1726 8.7820 8.7820 11.8618 11.8618 16.3862 16.3862 16.5904 16.5904 19.5023 19.5023 19.6174 19.6174 23.2922 23.2922 27.4078 27.4078 k = 0.5225 0.2237 0.2409 ( 1174 PWs) bands (ev): -53.1423 -53.1423 -25.3823 -25.3823 -24.4603 -24.4603 -24.1751 -24.1751 8.8057 8.8057 11.8482 11.8482 16.3547 16.3547 16.6099 16.6099 19.4979 19.4979 19.6419 19.6419 23.2848 23.2848 27.4520 27.4520 k = 0.5250 0.2165 0.2449 ( 1174 PWs) bands (ev): -53.1418 -53.1418 -25.3821 -25.3821 -24.4611 -24.4611 -24.1779 -24.1779 8.8319 8.8319 11.8331 11.8331 16.3198 16.3198 16.6318 16.6318 19.4929 19.4929 19.6695 19.6695 23.2765 23.2765 27.4997 27.4997 k = 0.5275 0.2093 0.2490 ( 1174 PWs) bands (ev): -53.1412 -53.1412 -25.3819 -25.3819 -24.4620 -24.4620 -24.1808 -24.1808 8.8608 8.8608 11.8168 11.8168 16.2817 16.2817 16.6562 16.6562 19.4872 19.4872 19.7002 19.7002 23.2673 23.2673 27.5506 27.5506 k = 0.5300 0.2021 0.2531 ( 1174 PWs) bands (ev): -53.1406 -53.1406 -25.3817 -25.3817 -24.4630 -24.4630 -24.1841 -24.1841 8.8921 8.8921 11.7992 11.7992 16.2405 16.2405 16.6830 16.6830 19.4810 19.4810 19.7338 19.7338 23.2573 23.2573 27.6039 27.6039 k = 0.5325 0.1949 0.2572 ( 1174 PWs) bands (ev): -53.1400 -53.1400 -25.3815 -25.3815 -24.4641 -24.4641 -24.1875 -24.1875 8.9259 8.9259 11.7804 11.7804 16.1967 16.1967 16.7121 16.7121 19.4741 19.4741 19.7681 19.7681 23.2480 23.2480 27.6594 27.6594 k = 0.5350 0.1876 0.2613 ( 1172 PWs) bands (ev): -53.1387 -53.1387 -25.3812 -25.3812 -24.4651 -24.4651 -24.1910 -24.1910 8.9621 8.9621 11.7607 11.7607 16.1506 16.1506 16.7438 16.7438 19.4716 19.4716 19.8086 19.8086 23.2366 23.2366 27.7159 27.7159 k = 0.5375 0.1804 0.2654 ( 1173 PWs) bands (ev): -53.1384 -53.1384 -25.3810 -25.3810 -24.4663 -24.4663 -24.1949 -24.1949 9.0004 9.0004 11.7399 11.7399 16.1000 16.1000 16.7772 16.7772 19.4638 19.4638 19.8486 19.8486 23.2238 23.2238 27.7721 27.7721 k = 0.5400 0.1732 0.2694 ( 1171 PWs) bands (ev): -53.1370 -53.1370 -25.3808 -25.3808 -24.4675 -24.4675 -24.1988 -24.1988 9.0411 9.0411 11.7186 11.7186 16.0488 16.0488 16.8137 16.8137 19.4558 19.4558 19.8987 19.8987 23.2105 23.2105 27.8283 27.8283 k = 0.5425 0.1660 0.2735 ( 1171 PWs) bands (ev): -53.1363 -53.1363 -25.3806 -25.3806 -24.4688 -24.4688 -24.2030 -24.2030 9.0838 9.0838 11.6962 11.6962 15.9952 15.9952 16.8518 16.8518 19.4460 19.4460 19.9446 19.9446 23.1975 23.1975 27.8828 27.8828 k = 0.5450 0.1588 0.2776 ( 1171 PWs) bands (ev): -53.1356 -53.1356 -25.3805 -25.3805 -24.4701 -24.4701 -24.2073 -24.2073 9.1285 9.1285 11.6731 11.6731 15.9399 15.9399 16.8912 16.8912 19.4369 19.4369 19.9941 19.9941 23.1820 23.1820 27.9347 27.9347 k = 0.5475 0.1516 0.2817 ( 1171 PWs) bands (ev): -53.1348 -53.1348 -25.3803 -25.3803 -24.4715 -24.4715 -24.2118 -24.2118 9.1750 9.1750 11.6495 11.6495 15.8831 15.8831 16.9326 16.9326 19.4275 19.4275 20.0460 20.0460 23.1655 23.1655 27.9829 27.9829 k = 0.5500 0.1443 0.2858 ( 1169 PWs) bands (ev): -53.1333 -53.1333 -25.3801 -25.3801 -24.4728 -24.4728 -24.2162 -24.2162 9.2233 9.2233 11.6256 11.6256 15.8253 15.8253 16.9772 16.9772 19.4209 19.4209 20.1023 20.1023 23.1484 23.1484 28.0262 28.0262 k = 0.5525 0.1371 0.2899 ( 1167 PWs) bands (ev): -53.1319 -53.1319 -25.3800 -25.3800 -24.4742 -24.4742 -24.2207 -24.2207 9.2732 9.2732 11.6014 11.6014 15.7685 15.7685 17.0224 17.0224 19.4107 19.4107 20.1604 20.1604 23.1322 23.1322 28.0648 28.0648 k = 0.5550 0.1299 0.2939 ( 1165 PWs) bands (ev): -53.1304 -53.1304 -25.3799 -25.3799 -24.4756 -24.4756 -24.2254 -24.2254 9.3250 9.3250 11.5772 11.5772 15.7092 15.7092 17.0695 17.0695 19.4006 19.4006 20.2222 20.2222 23.1141 23.1141 28.0944 28.0944 k = 0.5575 0.1227 0.2980 ( 1167 PWs) bands (ev): -53.1302 -53.1302 -25.3800 -25.3800 -24.4773 -24.4773 -24.2302 -24.2302 9.3776 9.3776 11.5527 11.5527 15.6443 15.6443 17.1184 17.1184 19.3890 19.3890 20.2791 20.2791 23.0949 23.0949 28.1119 28.1119 k = 0.5600 0.1155 0.3021 ( 1167 PWs) bands (ev): -53.1293 -53.1293 -25.3801 -25.3801 -24.4788 -24.4788 -24.2350 -24.2350 9.4313 9.4313 11.5284 11.5284 15.5819 15.5819 17.1688 17.1688 19.3779 19.3779 20.3411 20.3411 23.0735 23.0735 28.1201 28.1201 k = 0.5625 0.1083 0.3062 ( 1169 PWs) bands (ev): -53.1291 -53.1291 -25.3803 -25.3803 -24.4805 -24.4805 -24.2399 -24.2399 9.4859 9.4859 11.5042 11.5042 15.5189 15.5189 17.2171 17.2171 19.3665 19.3665 20.4025 20.4025 23.0500 23.0500 28.1162 28.1162 k = 0.5650 0.1010 0.3103 ( 1167 PWs) bands (ev): -53.1276 -53.1276 -25.3804 -25.3804 -24.4820 -24.4820 -24.2445 -24.2445 9.5412 9.5412 11.4807 11.4807 15.4557 15.4557 17.2741 17.2741 19.3551 19.3551 20.4688 20.4688 23.0289 23.0289 28.0992 28.0992 k = 0.5675 0.0938 0.3144 ( 1169 PWs) bands (ev): -53.1273 -53.1273 -25.3807 -25.3807 -24.4837 -24.4837 -24.2494 -24.2494 9.5970 9.5970 11.4574 11.4574 15.3896 15.3896 17.3286 17.3286 19.3435 19.3435 20.5345 20.5345 23.0017 23.0017 28.0669 28.0669 k = 0.5700 0.0866 0.3184 ( 1169 PWs) bands (ev): -53.1264 -53.1264 -25.3810 -25.3810 -24.4853 -24.4853 -24.2541 -24.2541 9.6530 9.6530 11.4352 11.4352 15.3258 15.3258 17.3848 17.3848 19.3318 19.3318 20.6024 20.6024 22.9759 22.9759 28.0232 28.0232 k = 0.5725 0.0794 0.3225 ( 1169 PWs) bands (ev): -53.1255 -53.1255 -25.3814 -25.3814 -24.4869 -24.4869 -24.2587 -24.2587 9.7090 9.7090 11.4141 11.4141 15.2619 15.2619 17.4422 17.4422 19.3201 19.3201 20.6715 20.6715 22.9490 22.9490 27.9672 27.9672 k = 0.5750 0.0722 0.3266 ( 1169 PWs) bands (ev): -53.1246 -53.1246 -25.3818 -25.3818 -24.4885 -24.4885 -24.2632 -24.2632 9.7651 9.7651 11.3942 11.3942 15.1963 15.1963 17.5020 17.5020 19.3100 19.3100 20.7395 20.7395 22.9215 22.9215 27.8996 27.8996 k = 0.5775 0.0650 0.3307 ( 1169 PWs) bands (ev): -53.1237 -53.1237 -25.3823 -25.3823 -24.4901 -24.4901 -24.2677 -24.2677 9.8202 9.8202 11.3762 11.3762 15.1338 15.1338 17.5593 17.5593 19.2968 19.2968 20.8124 20.8124 22.8923 22.8923 27.8243 27.8243 k = 0.5800 0.0577 0.3348 ( 1168 PWs) bands (ev): -53.1225 -53.1225 -25.3828 -25.3828 -24.4916 -24.4916 -24.2719 -24.2719 9.8738 9.8738 11.3599 11.3599 15.0709 15.0709 17.6221 17.6221 19.2852 19.2852 20.8826 20.8826 22.8636 22.8636 27.7424 27.7424 k = 0.5825 0.0505 0.3388 ( 1168 PWs) bands (ev): -53.1217 -53.1217 -25.3834 -25.3834 -24.4931 -24.4931 -24.2761 -24.2761 9.9262 9.9262 11.3455 11.3455 15.0078 15.0078 17.6833 17.6833 19.2736 19.2736 20.9542 20.9542 22.8321 22.8321 27.6556 27.6556 k = 0.5850 0.0433 0.3429 ( 1168 PWs) bands (ev): -53.1208 -53.1208 -25.3841 -25.3841 -24.4946 -24.4946 -24.2801 -24.2801 9.9767 9.9767 11.3335 11.3335 14.9452 14.9452 17.7450 17.7450 19.2622 19.2622 21.0258 21.0258 22.7996 22.7996 27.5663 27.5663 k = 0.5875 0.0361 0.3470 ( 1168 PWs) bands (ev): -53.1200 -53.1200 -25.3848 -25.3848 -24.4962 -24.4962 -24.2839 -24.2839 10.0250 10.0250 11.3238 11.3238 14.8810 14.8810 17.8099 17.8099 19.2523 19.2523 21.0969 21.0969 22.7667 22.7667 27.4745 27.4745 k = 0.5900 0.0289 0.3511 ( 1166 PWs) bands (ev): -53.1185 -53.1185 -25.3855 -25.3855 -24.4975 -24.4975 -24.2875 -24.2875 10.0710 10.0710 11.3176 11.3176 14.8198 14.8198 17.8744 17.8744 19.2422 19.2422 21.1701 21.1701 22.7333 22.7333 27.3862 27.3862 k = 0.5925 0.0217 0.3552 ( 1168 PWs) bands (ev): -53.1184 -53.1184 -25.3865 -25.3865 -24.4990 -24.4990 -24.2911 -24.2911 10.1135 10.1135 11.3144 11.3144 14.7586 14.7586 17.9327 17.9327 19.2309 19.2309 21.2384 21.2384 22.6995 22.6995 27.2976 27.2976 k = 0.5950 0.0144 0.3593 ( 1168 PWs) bands (ev): -53.1176 -53.1176 -25.3873 -25.3873 -24.5003 -24.5003 -24.2944 -24.2944 10.1526 10.1526 11.3146 11.3146 14.6987 14.6987 17.9950 17.9950 19.2211 19.2211 21.3054 21.3054 22.6665 22.6665 27.2141 27.2141 k = 0.5975 0.0072 0.3633 ( 1168 PWs) bands (ev): -53.1169 -53.1169 -25.3883 -25.3883 -24.5016 -24.5016 -24.2975 -24.2975 10.1879 10.1879 11.3183 11.3183 14.6398 14.6398 18.0569 18.0569 19.2119 19.2119 21.3694 21.3694 22.6351 22.6351 27.1349 27.1349 k = 0.6000-0.0000 0.3674 ( 1168 PWs) bands (ev): -53.1161 -53.1161 -25.3892 -25.3892 -24.5028 -24.5028 -24.3003 -24.3003 10.2191 10.2191 11.3255 11.3255 14.5820 14.5820 18.1183 18.1183 19.2035 19.2035 21.4289 21.4289 22.6065 22.6065 27.0609 27.0609 k = 0.6025-0.0072 0.3715 ( 1162 PWs) bands (ev): -53.1135 -53.1135 -25.3900 -25.3900 -24.5037 -24.5037 -24.3025 -24.3025 10.2466 10.2466 11.3363 11.3363 14.5268 14.5268 18.1864 18.1864 19.2006 19.2006 21.4843 21.4843 22.5883 22.5883 26.9948 26.9948 k = 0.6050-0.0144 0.3756 ( 1162 PWs) bands (ev): -53.1129 -53.1129 -25.3910 -25.3910 -24.5048 -24.5048 -24.3049 -24.3049 10.2698 10.2698 11.3500 11.3500 14.4717 14.4717 18.2453 18.2453 19.1946 19.1946 21.5296 21.5296 22.5707 22.5707 26.9330 26.9330 k = 0.6075-0.0217 0.3797 ( 1164 PWs) bands (ev): -53.1129 -53.1129 -25.3921 -25.3921 -24.5060 -24.5060 -24.3071 -24.3071 10.2890 10.2890 11.3656 11.3656 14.4175 14.4175 18.3022 18.3022 19.1900 19.1900 21.5586 21.5586 22.5620 22.5620 26.8778 26.8778 k = 0.6100-0.0289 0.3838 ( 1164 PWs) bands (ev): -53.1124 -53.1124 -25.3931 -25.3931 -24.5069 -24.5069 -24.3090 -24.3090 10.3046 10.3046 11.3840 11.3840 14.3659 14.3659 18.3574 18.3574 19.1872 19.1872 21.5800 21.5800 22.5654 22.5654 26.8298 26.8298 k = 0.6125-0.0361 0.3878 ( 1158 PWs) bands (ev): -53.1099 -53.1099 -25.3938 -25.3938 -24.5073 -24.5073 -24.3105 -24.3105 10.3171 10.3171 11.4043 11.4043 14.3203 14.3203 18.4127 18.4127 19.1896 19.1896 21.5936 21.5936 22.5852 22.5852 26.7935 26.7935 k = 0.6150-0.0433 0.3919 ( 1160 PWs) bands (ev): -53.1101 -53.1101 -25.3949 -25.3949 -24.5081 -24.5081 -24.3121 -24.3121 10.3262 10.3262 11.4246 11.4246 14.2731 14.2731 18.4592 18.4592 19.1891 19.1891 21.5853 21.5853 22.6138 22.6138 26.7594 26.7594 k = 0.6175-0.0505 0.3960 ( 1156 PWs) bands (ev): -53.1084 -53.1084 -25.3957 -25.3957 -24.5087 -24.5087 -24.3128 -24.3128 10.3344 10.3344 11.4447 11.4447 14.2301 14.2301 18.5065 18.5065 19.1956 19.1956 21.5624 21.5624 22.6636 22.6636 26.7368 26.7368 k = 0.6200-0.0577 0.4001 ( 1156 PWs) bands (ev): -53.1081 -53.1081 -25.3966 -25.3966 -24.5093 -24.5093 -24.3138 -24.3138 10.3395 10.3395 11.4636 11.4636 14.1889 14.1889 18.5476 18.5476 19.2037 19.2037 21.5263 21.5263 22.7204 22.7204 26.7180 26.7180 k = 0.6225-0.0650 0.4042 ( 1154 PWs) bands (ev): -53.1071 -53.1071 -25.3974 -25.3974 -24.5096 -24.5096 -24.3145 -24.3145 10.3429 10.3429 11.4806 11.4806 14.1537 14.1537 18.5840 18.5840 19.2158 19.2158 21.4805 21.4805 22.7888 22.7888 26.7096 26.7096 k = 0.6250-0.0722 0.4082 ( 1154 PWs) bands (ev): -53.1069 -53.1069 -25.3982 -25.3982 -24.5099 -24.5099 -24.3149 -24.3149 10.3452 10.3452 11.4947 11.4947 14.1199 14.1199 18.6152 18.6152 19.2313 19.2313 21.4244 21.4244 22.8654 22.8654 26.7051 26.7051 k = 0.6250-0.0722 0.4082 ( 1154 PWs) bands (ev): -53.1069 -53.1069 -25.3982 -25.3982 -24.5099 -24.5099 -24.3149 -24.3149 10.3452 10.3452 11.4947 11.4947 14.1199 14.1199 18.6152 18.6152 19.2313 19.2313 21.4244 21.4244 22.8654 22.8654 26.7051 26.7051 k = 0.6207-0.0697 0.4153 ( 1154 PWs) bands (ev): -53.1068 -53.1068 -25.3982 -25.3982 -24.5098 -24.5098 -24.3150 -24.3150 10.3462 10.3462 11.4938 11.4938 14.1205 14.1205 18.6137 18.6137 19.2326 19.2326 21.4250 21.4250 22.8661 22.8661 26.7047 26.7047 k = 0.6164-0.0672 0.4223 ( 1159 PWs) bands (ev): -53.1085 -53.1085 -25.3983 -25.3983 -24.5098 -24.5098 -24.3159 -24.3159 10.3475 10.3475 11.4909 11.4909 14.1207 14.1207 18.6069 18.6069 19.2340 19.2340 21.4267 21.4267 22.8619 22.8619 26.6989 26.6989 k = 0.6121-0.0647 0.4294 ( 1159 PWs) bands (ev): -53.1084 -53.1084 -25.3983 -25.3983 -24.5096 -24.5096 -24.3165 -24.3165 10.3524 10.3524 11.4861 11.4861 14.1237 14.1237 18.5993 18.5993 19.2405 19.2405 21.4297 21.4297 22.8651 22.8651 26.6971 26.6971 k = 0.6078-0.0622 0.4364 ( 1157 PWs) bands (ev): -53.1077 -53.1077 -25.3982 -25.3982 -24.5092 -24.5092 -24.3170 -24.3170 10.3595 10.3595 11.4796 11.4796 14.1279 14.1279 18.5902 18.5902 19.2528 19.2528 21.4348 21.4348 22.8712 22.8712 26.6951 26.6951 k = 0.6034-0.0597 0.4434 ( 1157 PWs) bands (ev): -53.1077 -53.1077 -25.3981 -25.3981 -24.5089 -24.5089 -24.3180 -24.3180 10.3683 10.3683 11.4711 11.4711 14.1332 14.1332 18.5770 18.5770 19.2642 19.2642 21.4405 21.4405 22.8766 22.8766 26.6918 26.6918 k = 0.5991-0.0572 0.4505 ( 1155 PWs) bands (ev): -53.1069 -53.1069 -25.3979 -25.3979 -24.5083 -24.5083 -24.3190 -24.3190 10.3792 10.3792 11.4609 11.4609 14.1400 14.1400 18.5646 18.5646 19.2787 19.2787 21.4488 21.4488 22.8833 22.8833 26.6889 26.6889 k = 0.5948-0.0547 0.4575 ( 1163 PWs) bands (ev): -53.1095 -53.1095 -25.3981 -25.3981 -24.5081 -24.5081 -24.3210 -24.3210 10.3909 10.3909 11.4488 11.4488 14.1460 14.1460 18.5353 18.5353 19.2854 19.2854 21.4555 21.4555 22.8864 22.8864 26.6793 26.6793 k = 0.5905-0.0523 0.4646 ( 1163 PWs) bands (ev): -53.1094 -53.1094 -25.3980 -25.3980 -24.5075 -24.5075 -24.3225 -24.3225 10.4052 10.4052 11.4351 11.4351 14.1543 14.1543 18.5146 18.5146 19.3031 19.3031 21.4656 21.4656 22.8931 22.8931 26.6733 26.6733 k = 0.5862-0.0498 0.4716 ( 1167 PWs) bands (ev): -53.1106 -53.1106 -25.3981 -25.3981 -24.5071 -24.5071 -24.3243 -24.3243 10.4204 10.4204 11.4198 11.4198 14.1606 14.1606 18.4918 18.4918 19.3224 19.3224 21.4754 21.4754 22.8938 22.8938 26.6612 26.6612 k = 0.5819-0.0473 0.4786 ( 1169 PWs) bands (ev): -53.1111 -53.1111 -25.3981 -25.3981 -24.5065 -24.5065 -24.3262 -24.3262 10.4373 10.4373 11.4028 11.4028 14.1700 14.1700 18.4715 18.4715 19.3400 19.3400 21.4847 21.4847 22.8968 22.8968 26.6545 26.6545 k = 0.5776-0.0448 0.4857 ( 1169 PWs) bands (ev): -53.1110 -53.1110 -25.3979 -25.3979 -24.5058 -24.5058 -24.3281 -24.3281 10.4566 10.4566 11.3846 11.3846 14.1805 14.1805 18.4457 18.4457 19.3625 19.3625 21.5001 21.5001 22.9012 22.9012 26.6452 26.6452 k = 0.5733-0.0423 0.4927 ( 1169 PWs) bands (ev): -53.1109 -53.1109 -25.3978 -25.3978 -24.5050 -24.5050 -24.3301 -24.3301 10.4774 10.4774 11.3652 11.3652 14.1917 14.1917 18.4187 18.4187 19.3860 19.3860 21.5177 21.5177 22.9040 22.9040 26.6344 26.6344 k = 0.5690-0.0398 0.4998 ( 1169 PWs) bands (ev): -53.1108 -53.1108 -25.3977 -25.3977 -24.5042 -24.5042 -24.3322 -24.3322 10.4996 10.4996 11.3445 11.3445 14.2033 14.2033 18.3910 18.3910 19.4104 19.4104 21.5376 21.5376 22.9045 22.9045 26.6219 26.6219 k = 0.5647-0.0373 0.5068 ( 1169 PWs) bands (ev): -53.1106 -53.1106 -25.3975 -25.3975 -24.5034 -24.5034 -24.3344 -24.3344 10.5232 10.5232 11.3227 11.3227 14.2152 14.2152 18.3627 18.3627 19.4352 19.4352 21.5600 21.5600 22.9024 22.9024 26.6075 26.6075 k = 0.5603-0.0348 0.5138 ( 1169 PWs) bands (ev): -53.1105 -53.1105 -25.3974 -25.3974 -24.5025 -24.5025 -24.3366 -24.3366 10.5480 10.5480 11.3000 11.3000 14.2273 14.2273 18.3342 18.3342 19.4602 19.4602 21.5852 21.5852 22.8971 22.8971 26.5909 26.5909 k = 0.5560-0.0324 0.5209 ( 1168 PWs) bands (ev): -53.1099 -53.1099 -25.3972 -25.3972 -24.5016 -24.5016 -24.3387 -24.3387 10.5741 10.5741 11.2764 11.2764 14.2400 14.2400 18.3062 18.3062 19.4850 19.4850 21.6133 21.6133 22.8895 22.8895 26.5726 26.5726 k = 0.5517-0.0299 0.5279 ( 1170 PWs) bands (ev): -53.1104 -53.1104 -25.3972 -25.3972 -24.5009 -24.5009 -24.3410 -24.3410 10.6006 10.6006 11.2520 11.2520 14.2519 14.2519 18.2777 18.2777 19.5040 19.5040 21.6442 21.6442 22.8745 22.8745 26.5511 26.5511 k = 0.5474-0.0274 0.5349 ( 1172 PWs) bands (ev): -53.1109 -53.1109 -25.3971 -25.3971 -24.5001 -24.5001 -24.3433 -24.3433 10.6276 10.6276 11.2270 11.2270 14.2625 14.2625 18.2495 18.2495 19.5267 19.5267 21.6786 21.6786 22.8546 22.8546 26.5267 26.5267 k = 0.5431-0.0249 0.5420 ( 1172 PWs) bands (ev): -53.1108 -53.1108 -25.3970 -25.3970 -24.4993 -24.4993 -24.3454 -24.3454 10.6560 10.6560 11.2015 11.2015 14.2737 14.2737 18.2236 18.2236 19.5493 19.5493 21.7165 21.7165 22.8312 22.8312 26.5008 26.5008 k = 0.5388-0.0224 0.5490 ( 1174 PWs) bands (ev): -53.1112 -53.1112 -25.3971 -25.3971 -24.4987 -24.4987 -24.3474 -24.3474 10.6849 10.6849 11.1755 11.1755 14.2820 14.2820 18.1984 18.1984 19.5699 19.5699 21.7568 21.7568 22.8020 22.8020 26.4724 26.4724 k = 0.5345-0.0199 0.5561 ( 1174 PWs) bands (ev): -53.1111 -53.1111 -25.3970 -25.3970 -24.4980 -24.4980 -24.3493 -24.3493 10.7143 10.7143 11.1494 11.1494 14.2919 14.2919 18.1755 18.1755 19.5897 19.5897 21.8020 21.8020 22.7675 22.7675 26.4442 26.4442 k = 0.5302-0.0174 0.5631 ( 1172 PWs) bands (ev): -53.1102 -53.1102 -25.3968 -25.3968 -24.4972 -24.4972 -24.3509 -24.3509 10.7438 10.7438 11.1230 11.1230 14.3021 14.3021 18.1571 18.1571 19.6094 19.6094 21.8511 21.8511 22.7270 22.7270 26.4163 26.4163 k = 0.5259-0.0149 0.5701 ( 1172 PWs) bands (ev): -53.1101 -53.1101 -25.3967 -25.3967 -24.4966 -24.4966 -24.3526 -24.3526 10.7731 10.7731 11.0963 11.0963 14.3101 14.3101 18.1369 18.1369 19.6322 19.6322 21.8985 21.8985 22.6825 22.6825 26.3865 26.3865 k = 0.5216-0.0124 0.5772 ( 1168 PWs) bands (ev): -53.1087 -53.1087 -25.3965 -25.3965 -24.4960 -24.4960 -24.3535 -24.3535 10.8037 10.8037 11.0701 11.0701 14.3178 14.3178 18.1217 18.1217 19.6463 19.6463 21.9559 21.9559 22.6397 22.6397 26.3643 26.3643 k = 0.5172-0.0100 0.5842 ( 1172 PWs) bands (ev): -53.1099 -53.1099 -25.3967 -25.3967 -24.4958 -24.4958 -24.3549 -24.3549 10.8323 10.8323 11.0436 11.0436 14.3211 14.3211 18.1061 18.1061 19.6567 19.6567 22.0116 22.0116 22.5798 22.5798 26.3432 26.3432 k = 0.5129-0.0075 0.5913 ( 1172 PWs) bands (ev): -53.1098 -53.1098 -25.3966 -25.3966 -24.4955 -24.4955 -24.3558 -24.3558 10.8602 10.8602 11.0180 11.0180 14.3254 14.3254 18.0953 18.0953 19.6655 19.6655 22.0766 22.0766 22.5167 22.5167 26.3264 26.3264 k = 0.5086-0.0050 0.5983 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3968 -25.3968 -24.4953 -24.4953 -24.3569 -24.3569 10.8855 10.8855 10.9932 10.9932 14.3279 14.3279 18.0844 18.0844 19.6697 19.6697 22.1441 22.1441 22.4427 22.4427 26.3112 26.3112 k = 0.5043-0.0025 0.6053 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3968 -25.3968 -24.4952 -24.4952 -24.3573 -24.3573 10.9093 10.9093 10.9706 10.9706 14.3297 14.3297 18.0797 18.0797 19.6735 19.6735 22.2167 22.2167 22.3701 22.3701 26.3037 26.3037 k = 0.5000-0.0000 0.6124 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3968 -25.3968 -24.4952 -24.4952 -24.3574 -24.3574 10.9223 10.9223 10.9581 10.9581 14.3303 14.3303 18.0781 18.0781 19.6748 19.6748 22.2892 22.2892 22.2975 22.2975 26.3013 26.3013 k = 0.5000-0.0000 0.6124 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3968 -25.3968 -24.4952 -24.4952 -24.3574 -24.3574 10.9223 10.9223 10.9581 10.9581 14.3303 14.3303 18.0781 18.0781 19.6748 19.6748 22.2892 22.2892 22.2975 22.2975 26.3013 26.3013 k = 0.5000 0.0050 0.6053 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3967 -25.3967 -24.4952 -24.4952 -24.3573 -24.3573 10.9215 10.9215 10.9574 10.9574 14.3316 14.3316 18.0782 18.0782 19.6723 19.6723 22.2879 22.2879 22.2976 22.2976 26.3054 26.3054 k = 0.5000 0.0100 0.5983 ( 1176 PWs) bands (ev): -53.1111 -53.1111 -25.3966 -25.3966 -24.4953 -24.4953 -24.3568 -24.3568 10.9188 10.9188 10.9561 10.9561 14.3355 14.3355 18.0784 18.0784 19.6649 19.6649 22.2799 22.2799 22.3017 22.3017 26.3178 26.3178 k = 0.5000 0.0149 0.5913 ( 1176 PWs) bands (ev): -53.1112 -53.1112 -25.3964 -25.3964 -24.4953 -24.4953 -24.3560 -24.3560 10.9125 10.9125 10.9554 10.9554 14.3420 14.3420 18.0787 18.0787 19.6527 19.6527 22.2647 22.2647 22.3106 22.3106 26.3385 26.3385 k = 0.5000 0.0199 0.5842 ( 1168 PWs) bands (ev): -53.1088 -53.1088 -25.3958 -25.3958 -24.4949 -24.4949 -24.3546 -24.3546 10.9022 10.9022 10.9580 10.9580 14.3556 14.3556 18.0816 18.0816 19.6385 19.6385 22.2538 22.2538 22.3269 22.3269 26.3682 26.3682 k = 0.5000 0.0249 0.5772 ( 1166 PWs) bands (ev): -53.1084 -53.1084 -25.3953 -25.3953 -24.4950 -24.4950 -24.3531 -24.3531 10.8869 10.8869 10.9618 10.9618 14.3677 14.3677 18.0817 18.0817 19.6179 19.6179 22.2292 22.2292 22.3459 22.3459 26.4057 26.4057 k = 0.5000 0.0299 0.5701 ( 1166 PWs) bands (ev): -53.1087 -53.1087 -25.3949 -25.3949 -24.4951 -24.4951 -24.3514 -24.3514 10.8667 10.8667 10.9672 10.9672 14.3818 14.3818 18.0812 18.0812 19.5940 19.5940 22.1963 22.1963 22.3645 22.3645 26.4508 26.4508 k = 0.5000 0.0348 0.5631 ( 1170 PWs) bands (ev): -53.1103 -53.1103 -25.3947 -25.3947 -24.4957 -24.4957 -24.3495 -24.3495 10.8426 10.8426 10.9740 10.9740 14.3955 14.3955 18.0796 18.0796 19.5612 19.5612 22.1564 22.1564 22.3838 22.3838 26.5060 26.5060 k = 0.5000 0.0398 0.5561 ( 1170 PWs) bands (ev): -53.1107 -53.1107 -25.3942 -25.3942 -24.4958 -24.4958 -24.3473 -24.3473 10.8145 10.8145 10.9826 10.9826 14.4145 14.4145 18.0772 18.0772 19.5327 19.5327 22.1135 22.1135 22.4067 22.4067 26.5669 26.5669 k = 0.5000 0.0448 0.5490 ( 1170 PWs) bands (ev): -53.1111 -53.1111 -25.3936 -25.3936 -24.4960 -24.4960 -24.3448 -24.3448 10.7829 10.7829 10.9925 10.9925 14.4360 14.4360 18.0734 18.0734 19.5028 19.5028 22.0660 22.0660 22.4315 22.4315 26.6356 26.6356 k = 0.5000 0.0498 0.5420 ( 1172 PWs) bands (ev): -53.1122 -53.1122 -25.3931 -25.3931 -24.4961 -24.4961 -24.3423 -24.3423 10.7478 10.7478 11.0031 11.0031 14.4593 14.4593 18.0675 18.0675 19.4722 19.4722 22.0114 22.0114 22.4556 22.4556 26.7114 26.7114 k = 0.5000 0.0547 0.5349 ( 1172 PWs) bands (ev): -53.1127 -53.1127 -25.3924 -25.3924 -24.4962 -24.4962 -24.3394 -24.3394 10.7097 10.7097 11.0154 11.0154 14.4856 14.4856 18.0598 18.0598 19.4418 19.4418 21.9561 21.9561 22.4829 22.4829 26.7951 26.7951 k = 0.5000 0.0597 0.5279 ( 1170 PWs) bands (ev): -53.1125 -53.1125 -25.3917 -25.3917 -24.4962 -24.4962 -24.3360 -24.3360 10.6693 10.6693 11.0291 11.0291 14.5131 14.5131 18.0514 18.0514 19.4163 19.4163 21.8984 21.8984 22.5145 22.5145 26.8870 26.8870 k = 0.5000 0.0647 0.5209 ( 1170 PWs) bands (ev): -53.1131 -53.1131 -25.3910 -25.3910 -24.4962 -24.4962 -24.3326 -24.3326 10.6256 10.6256 11.0437 11.0437 14.5441 14.5441 18.0385 18.0385 19.3879 19.3879 21.8366 21.8366 22.5432 22.5432 26.9851 26.9851 k = 0.5000 0.0697 0.5138 ( 1168 PWs) bands (ev): -53.1131 -53.1131 -25.3901 -25.3901 -24.4960 -24.4960 -24.3290 -24.3290 10.5796 10.5796 11.0597 11.0597 14.5794 14.5794 18.0228 18.0228 19.3617 19.3617 21.7727 21.7727 22.5740 22.5740 27.0901 27.0901 k = 0.5000 0.0747 0.5068 ( 1168 PWs) bands (ev): -53.1137 -53.1137 -25.3894 -25.3894 -24.4958 -24.4958 -24.3253 -24.3253 10.5310 10.5310 11.0764 11.0764 14.6149 14.6149 18.0032 18.0032 19.3379 19.3379 21.7059 21.7059 22.6034 22.6034 27.2018 27.2018 k = 0.5000 0.0796 0.4998 ( 1170 PWs) bands (ev): -53.1150 -53.1150 -25.3887 -25.3887 -24.4958 -24.4958 -24.3214 -24.3214 10.4802 10.4802 11.0939 11.0939 14.6511 14.6511 17.9775 17.9775 19.3164 19.3164 21.6355 21.6355 22.6326 22.6326 27.3198 27.3198 k = 0.5000 0.0846 0.4927 ( 1176 PWs) bands (ev): -53.1177 -53.1177 -25.3882 -25.3882 -24.4956 -24.4956 -24.3180 -24.3180 10.4270 10.4270 11.1122 11.1122 14.6889 14.6889 17.9472 17.9472 19.2916 19.2916 21.5637 21.5637 22.6552 22.6552 27.4437 27.4437 k = 0.5000 0.0896 0.4857 ( 1176 PWs) bands (ev): -53.1184 -53.1184 -25.3875 -25.3875 -24.4952 -24.4952 -24.3138 -24.3138 10.3727 10.3727 11.1317 11.1317 14.7307 14.7307 17.9161 17.9161 19.2774 19.2774 21.4918 21.4918 22.6844 22.6844 27.5744 27.5744 k = 0.5000 0.0946 0.4786 ( 1176 PWs) bands (ev): -53.1192 -53.1192 -25.3867 -25.3867 -24.4947 -24.4947 -24.3095 -24.3095 10.3169 10.3169 11.1521 11.1521 14.7743 14.7743 17.8815 17.8815 19.2667 19.2667 21.4188 21.4188 22.7134 22.7134 27.7108 27.7108 k = 0.5000 0.0995 0.4716 ( 1176 PWs) bands (ev): -53.1200 -53.1200 -25.3860 -25.3860 -24.4941 -24.4941 -24.3051 -24.3051 10.2598 10.2598 11.1732 11.1732 14.8199 14.8199 17.8435 17.8435 19.2593 19.2593 21.3450 21.3450 22.7419 22.7419 27.8520 27.8520 k = 0.5000 0.1045 0.4646 ( 1170 PWs) bands (ev): -53.1188 -53.1188 -25.3850 -25.3850 -24.4931 -24.4931 -24.3002 -24.3002 10.2023 10.2023 11.1957 11.1957 14.8707 14.8707 17.8050 17.8050 19.2591 19.2591 21.2752 21.2752 22.7743 22.7743 27.9859 27.9859 k = 0.5000 0.1095 0.4575 ( 1172 PWs) bands (ev): -53.1203 -53.1203 -25.3845 -25.3845 -24.4925 -24.4925 -24.2956 -24.2956 10.1432 10.1432 11.2183 11.2183 14.9197 14.9197 17.7573 17.7573 19.2562 19.2562 21.2004 21.2004 22.7997 22.7997 28.0482 28.0482 k = 0.5000 0.1145 0.4505 ( 1174 PWs) bands (ev): -53.1218 -53.1218 -25.3839 -25.3839 -24.4917 -24.4917 -24.2911 -24.2911 10.0834 10.0834 11.2415 11.2415 14.9682 14.9682 17.7111 17.7111 19.2566 19.2566 21.1253 21.1253 22.8243 22.8243 28.0912 28.0912 k = 0.5000 0.1195 0.4434 ( 1168 PWs) bands (ev): -53.1207 -53.1207 -25.3831 -25.3831 -24.4905 -24.4905 -24.2859 -24.2859 10.0233 10.0233 11.2663 11.2663 15.0250 15.0250 17.6651 17.6651 19.2622 19.2622 21.0569 21.0569 22.8542 22.8542 28.1399 28.1399 k = 0.5000 0.1244 0.4364 ( 1168 PWs) bands (ev): -53.1216 -53.1216 -25.3825 -25.3825 -24.4895 -24.4895 -24.2810 -24.2810 9.9627 9.9627 11.2907 11.2907 15.0784 15.0784 17.6155 17.6155 19.2676 19.2676 20.9823 20.9823 22.8802 22.8802 28.1758 28.1758 k = 0.5000 0.1294 0.4294 ( 1168 PWs) bands (ev): -53.1225 -53.1225 -25.3821 -25.3821 -24.4884 -24.4884 -24.2760 -24.2760 9.9020 9.9020 11.3155 11.3155 15.1331 15.1331 17.5648 17.5648 19.2746 19.2746 20.9082 20.9082 22.9055 22.9055 28.2057 28.2057 k = 0.5000 0.1344 0.4223 ( 1168 PWs) bands (ev): -53.1234 -53.1234 -25.3816 -25.3816 -24.4872 -24.4872 -24.2710 -24.2710 9.8413 9.8413 11.3408 11.3408 15.1889 15.1889 17.5133 17.5133 19.2831 19.2831 20.8347 20.8347 22.9303 22.9303 28.2292 28.2292 k = 0.5000 0.1394 0.4153 ( 1168 PWs) bands (ev): -53.1243 -53.1243 -25.3812 -25.3812 -24.4860 -24.4860 -24.2660 -24.2660 9.7808 9.7808 11.3665 11.3665 15.2457 15.2457 17.4614 17.4614 19.2926 19.2926 20.7620 20.7620 22.9545 22.9545 28.2460 28.2460 k = 0.5000 0.1443 0.4082 ( 1164 PWs) bands (ev): -53.1239 -53.1239 -25.3807 -25.3807 -24.4845 -24.4845 -24.2607 -24.2607 9.7208 9.7208 11.3926 11.3926 15.3072 15.3072 17.4122 17.4122 19.3051 19.3051 20.6917 20.6917 22.9805 22.9805 28.2603 28.2603 k = 0.5000 0.1493 0.4012 ( 1172 PWs) bands (ev): -53.1274 -53.1274 -25.3808 -25.3808 -24.4837 -24.4837 -24.2560 -24.2560 9.6605 9.6605 11.4181 11.4181 15.3629 15.3629 17.3541 17.3541 19.3067 19.3067 20.6150 20.6150 22.9991 22.9991 28.2601 28.2601 k = 0.5000 0.1543 0.3942 ( 1172 PWs) bands (ev): -53.1284 -53.1284 -25.3806 -25.3806 -24.4824 -24.4824 -24.2509 -24.2509 9.6016 9.6016 11.4444 11.4444 15.4219 15.4219 17.3024 17.3024 19.3182 19.3182 20.5455 20.5455 23.0213 23.0213 28.2555 28.2555 k = 0.5000 0.1593 0.3871 ( 1172 PWs) bands (ev): -53.1293 -53.1293 -25.3804 -25.3804 -24.4810 -24.4810 -24.2458 -24.2458 9.5436 9.5436 11.4708 11.4708 15.4812 15.4812 17.2514 17.2514 19.3300 19.3300 20.4774 20.4774 23.0429 23.0429 28.2438 28.2438 k = 0.5000 0.1642 0.3801 ( 1172 PWs) bands (ev): -53.1301 -53.1301 -25.3803 -25.3803 -24.4796 -24.4796 -24.2408 -24.2408 9.4865 9.4865 11.4971 11.4971 15.5408 15.5408 17.2012 17.2012 19.3420 19.3420 20.4109 20.4109 23.0637 23.0637 28.2252 28.2252 k = 0.5000 0.1692 0.3731 ( 1174 PWs) bands (ev): -53.1317 -53.1317 -25.3802 -25.3802 -24.4783 -24.4783 -24.2360 -24.2360 9.4306 9.4306 11.5230 11.5230 15.5988 15.5988 17.1515 17.1515 19.3533 19.3533 20.3457 20.3457 23.0800 23.0800 28.1981 28.1981 k = 0.5000 0.1742 0.3660 ( 1174 PWs) bands (ev): -53.1325 -53.1325 -25.3802 -25.3802 -24.4769 -24.4769 -24.2310 -24.2310 9.3760 9.3760 11.5491 11.5491 15.6581 15.6581 17.1034 17.1034 19.3653 19.3653 20.2827 20.2827 23.0995 23.0995 28.1668 28.1668 k = 0.5000 0.1792 0.3590 ( 1174 PWs) bands (ev): -53.1334 -53.1334 -25.3802 -25.3802 -24.4755 -24.4755 -24.2261 -24.2261 9.3227 9.3227 11.5750 11.5750 15.7170 15.7170 17.0567 17.0567 19.3770 19.3770 20.2216 20.2216 23.1182 23.1182 28.1298 28.1298 k = 0.5000 0.1842 0.3519 ( 1178 PWs) bands (ev): -53.1355 -53.1355 -25.3804 -25.3804 -24.4743 -24.4743 -24.2215 -24.2215 9.2705 9.2705 11.5998 11.5998 15.7739 15.7739 17.0106 17.0106 19.3860 19.3860 20.1551 20.1551 23.1347 23.1347 28.0867 28.0867 k = 0.5000 0.1891 0.3449 ( 1178 PWs) bands (ev): -53.1363 -53.1363 -25.3805 -25.3805 -24.4729 -24.4729 -24.2168 -24.2168 9.2204 9.2204 11.6248 11.6248 15.8317 15.8317 16.9663 16.9663 19.3970 19.3970 20.0997 20.0997 23.1506 23.1506 28.0406 28.0406 k = 0.5000 0.1941 0.3379 ( 1178 PWs) bands (ev): -53.1371 -53.1371 -25.3806 -25.3806 -24.4715 -24.4715 -24.2121 -24.2121 9.1720 9.1720 11.6494 11.6494 15.8883 15.8883 16.9240 16.9240 19.4078 19.4078 20.0450 20.0450 23.1671 23.1671 27.9907 27.9907 k = 0.5000 0.1991 0.3308 ( 1178 PWs) bands (ev): -53.1379 -53.1379 -25.3807 -25.3807 -24.4702 -24.4702 -24.2077 -24.2077 9.1255 9.1255 11.6734 11.6734 15.9437 15.9437 16.8835 16.8835 19.4181 19.4181 19.9925 19.9925 23.1828 23.1828 27.9379 27.9379 k = 0.5000 0.2041 0.3238 ( 1176 PWs) bands (ev): -53.1380 -53.1380 -25.3808 -25.3808 -24.4688 -24.4688 -24.2032 -24.2032 9.0810 9.0810 11.6968 11.6968 15.9994 15.9994 16.8456 16.8456 19.4305 19.4305 19.9463 19.9463 23.1960 23.1960 27.8831 27.8831 k = 0.5000 0.2090 0.3167 ( 1176 PWs) bands (ev): -53.1388 -53.1388 -25.3810 -25.3810 -24.4675 -24.4675 -24.1990 -24.1990 9.0384 9.0384 11.7193 11.7193 16.0516 16.0516 16.8089 16.8089 19.4399 19.4399 19.8989 19.8989 23.2101 23.2101 27.8266 27.8266 k = 0.5000 0.2140 0.3097 ( 1176 PWs) bands (ev): -53.1395 -53.1395 -25.3812 -25.3812 -24.4663 -24.4663 -24.1950 -24.1950 8.9980 8.9980 11.7410 11.7410 16.1019 16.1019 16.7741 16.7741 19.4488 19.4488 19.8542 19.8542 23.2233 23.2233 27.7694 27.7694 k = 0.5000 0.2190 0.3027 ( 1178 PWs) bands (ev): -53.1408 -53.1408 -25.3814 -25.3814 -24.4653 -24.4653 -24.1913 -24.1913 8.9598 8.9598 11.7616 11.7616 16.1501 16.1501 16.7399 16.7399 19.4564 19.4564 19.8071 19.8071 23.2356 23.2356 27.7123 27.7123 k = 0.5000 0.2240 0.2956 ( 1178 PWs) bands (ev): -53.1414 -53.1414 -25.3817 -25.3817 -24.4642 -24.4642 -24.1876 -24.1876 8.9239 8.9239 11.7814 11.7814 16.1961 16.1961 16.7093 16.7093 19.4642 19.4642 19.7677 19.7677 23.2472 23.2472 27.6558 27.6558 k = 0.5000 0.2289 0.2886 ( 1178 PWs) bands (ev): -53.1420 -53.1420 -25.3819 -25.3819 -24.4631 -24.4631 -24.1842 -24.1842 8.8903 8.8903 11.8001 11.8001 16.2396 16.2396 16.6803 16.6803 19.4714 19.4714 19.7335 19.7335 23.2564 23.2564 27.6007 27.6007 k = 0.5000 0.2339 0.2816 ( 1178 PWs) bands (ev): -53.1426 -53.1426 -25.3821 -25.3821 -24.4622 -24.4622 -24.1810 -24.1810 8.8592 8.8592 11.8175 11.8175 16.2802 16.2802 16.6538 16.6538 19.4779 19.4779 19.6999 19.6999 23.2662 23.2662 27.5476 27.5476 k = 0.5000 0.2389 0.2745 ( 1178 PWs) bands (ev): -53.1431 -53.1431 -25.3823 -25.3823 -24.4613 -24.4613 -24.1780 -24.1780 8.8306 8.8306 11.8338 11.8338 16.3179 16.3179 16.6297 16.6297 19.4839 19.4839 19.6693 19.6693 23.2753 23.2753 27.4971 27.4971 k = 0.5000 0.2439 0.2675 ( 1178 PWs) bands (ev): -53.1436 -53.1436 -25.3825 -25.3825 -24.4605 -24.4605 -24.1753 -24.1753 8.8046 8.8046 11.8487 11.8487 16.3525 16.3525 16.6080 16.6080 19.4891 19.4891 19.6417 19.6417 23.2835 23.2835 27.4498 27.4498 k = 0.5000 0.2489 0.2604 ( 1172 PWs) bands (ev): -53.1420 -53.1420 -25.3824 -25.3824 -24.4594 -24.4594 -24.1724 -24.1724 8.7812 8.7812 11.8623 11.8623 16.3882 16.3882 16.5908 16.5908 19.5045 19.5045 19.6203 19.6203 23.2925 23.2925 27.4064 27.4064 k = 0.5000 0.2538 0.2534 ( 1172 PWs) bands (ev): -53.1424 -53.1424 -25.3826 -25.3826 -24.4588 -24.4588 -24.1702 -24.1702 8.7605 8.7605 11.8744 11.8744 16.4156 16.4156 16.5742 16.5742 19.5080 19.5080 19.5991 19.5991 23.2990 23.2990 27.3666 27.3666 k = 0.5000 0.2588 0.2464 ( 1172 PWs) bands (ev): -53.1427 -53.1427 -25.3828 -25.3828 -24.4582 -24.4582 -24.1682 -24.1682 8.7424 8.7424 11.8849 11.8849 16.4400 16.4400 16.5612 16.5612 19.5097 19.5097 19.5789 19.5789 23.3058 23.3058 27.3313 27.3313 k = 0.5000 0.2638 0.2393 ( 1174 PWs) bands (ev): -53.1437 -53.1437 -25.3830 -25.3830 -24.4578 -24.4578 -24.1667 -24.1667 8.7270 8.7270 11.8939 11.8939 16.4583 16.4583 16.5495 16.5495 19.5095 19.5095 19.5602 19.5602 23.3100 23.3100 27.3008 27.3008 k = 0.5000 0.2688 0.2323 ( 1172 PWs) bands (ev): -53.1432 -53.1432 -25.3830 -25.3830 -24.4573 -24.4573 -24.1653 -24.1653 8.7144 8.7144 11.9014 11.9014 16.4726 16.4726 16.5440 16.5440 19.5104 19.5104 19.5543 19.5543 23.3139 23.3139 27.2754 27.2754 k = 0.5000 0.2737 0.2252 ( 1170 PWs) bands (ev): -53.1428 -53.1428 -25.3830 -25.3830 -24.4569 -24.4569 -24.1640 -24.1640 8.7046 8.7046 11.9073 11.9073 16.4823 16.4823 16.5429 16.5429 19.5102 19.5102 19.5487 19.5487 23.3186 23.3186 27.2554 27.2554 k = 0.5000 0.2787 0.2182 ( 1170 PWs) bands (ev): -53.1429 -53.1429 -25.3831 -25.3831 -24.4566 -24.4566 -24.1633 -24.1633 8.6975 8.6975 11.9115 11.9115 16.4870 16.4870 16.5420 16.5420 19.5085 19.5085 19.5444 19.5444 23.3208 23.3208 27.2410 27.2410 k = 0.5000 0.2837 0.2112 ( 1170 PWs) bands (ev): -53.1430 -53.1430 -25.3831 -25.3831 -24.4565 -24.4565 -24.1628 -24.1628 8.6933 8.6933 11.9140 11.9140 16.4888 16.4888 16.5425 16.5425 19.5070 19.5070 19.5423 19.5423 23.3221 23.3221 27.2322 27.2323 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -53.1431 -53.1431 -25.3832 -25.3832 -24.4565 -24.4565 -24.1627 -24.1627 8.6919 8.6919 11.9148 11.9148 16.4893 16.4893 16.5429 16.5429 19.5064 19.5064 19.5417 19.5417 23.3225 23.3225 27.2293 27.2293 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -53.1431 -53.1431 -25.3832 -25.3832 -24.4565 -24.4565 -24.1627 -24.1627 8.6919 8.6919 11.9148 11.9148 16.4893 16.4893 16.5429 16.5429 19.5064 19.5064 19.5417 19.5417 23.3225 23.3225 27.2293 27.2293 k = 0.4975 0.2872 0.2123 ( 1170 PWs) bands (ev): -53.1430 -53.1430 -25.3831 -25.3831 -24.4565 -24.4565 -24.1628 -24.1628 8.6933 8.6933 11.9140 11.9140 16.4888 16.4888 16.5425 16.5425 19.5070 19.5070 19.5423 19.5423 23.3221 23.3221 27.2323 27.2323 k = 0.4950 0.2858 0.2205 ( 1170 PWs) bands (ev): -53.1429 -53.1429 -25.3831 -25.3831 -24.4566 -24.4566 -24.1633 -24.1633 8.6976 8.6976 11.9114 11.9114 16.4870 16.4870 16.5420 16.5420 19.5085 19.5085 19.5444 19.5444 23.3208 23.3208 27.2411 27.2411 k = 0.4925 0.2843 0.2286 ( 1170 PWs) bands (ev): -53.1428 -53.1428 -25.3830 -25.3830 -24.4569 -24.4569 -24.1640 -24.1640 8.7047 8.7047 11.9072 11.9072 16.4822 16.4822 16.5429 16.5429 19.5102 19.5102 19.5488 19.5488 23.3186 23.3186 27.2556 27.2556 k = 0.4900 0.2829 0.2368 ( 1170 PWs) bands (ev): -53.1426 -53.1426 -25.3829 -25.3829 -24.4572 -24.4572 -24.1651 -24.1651 8.7146 8.7146 11.9013 11.9013 16.4729 16.4729 16.5468 16.5468 19.5112 19.5112 19.5563 19.5563 23.3155 23.3155 27.2758 27.2758 k = 0.4875 0.2815 0.2449 ( 1172 PWs) bands (ev): -53.1430 -53.1430 -25.3829 -25.3829 -24.4577 -24.4577 -24.1667 -24.1667 8.7273 8.7273 11.8938 11.8938 16.4578 16.4578 16.5502 16.5502 19.5096 19.5096 19.5694 19.5694 23.3088 23.3088 27.3014 27.3014 k = 0.4850 0.2800 0.2531 ( 1176 PWs) bands (ev): -53.1440 -53.1440 -25.3829 -25.3829 -24.4584 -24.4584 -24.1686 -24.1686 8.7428 8.7428 11.8847 11.8847 16.4375 16.4375 16.5582 16.5582 19.5045 19.5045 19.5761 19.5761 23.3039 23.3039 27.3321 27.3321 k = 0.4825 0.2786 0.2613 ( 1176 PWs) bands (ev): -53.1437 -53.1437 -25.3828 -25.3828 -24.4590 -24.4590 -24.1705 -24.1705 8.7610 8.7610 11.8740 11.8740 16.4138 16.4138 16.5721 16.5721 19.5019 19.5019 19.5941 19.5941 23.2982 23.2982 27.3677 27.3677 k = 0.4800 0.2771 0.2694 ( 1174 PWs) bands (ev): -53.1427 -53.1427 -25.3825 -25.3825 -24.4595 -24.4595 -24.1726 -24.1726 8.7820 8.7820 11.8618 11.8618 16.3862 16.3862 16.5904 16.5904 19.5023 19.5023 19.6174 19.6174 23.2922 23.2922 27.4078 27.4078 k = 0.4775 0.2757 0.2776 ( 1174 PWs) bands (ev): -53.1423 -53.1423 -25.3823 -25.3823 -24.4603 -24.4603 -24.1751 -24.1751 8.8057 8.8057 11.8482 11.8482 16.3547 16.3547 16.6099 16.6099 19.4979 19.4979 19.6419 19.6419 23.2848 23.2848 27.4520 27.4520 k = 0.4750 0.2742 0.2858 ( 1174 PWs) bands (ev): -53.1418 -53.1418 -25.3821 -25.3821 -24.4611 -24.4611 -24.1779 -24.1779 8.8319 8.8319 11.8331 11.8331 16.3198 16.3198 16.6318 16.6318 19.4929 19.4929 19.6695 19.6695 23.2765 23.2765 27.4997 27.4997 k = 0.4725 0.2728 0.2939 ( 1174 PWs) bands (ev): -53.1412 -53.1412 -25.3819 -25.3819 -24.4620 -24.4620 -24.1808 -24.1808 8.8608 8.8608 11.8168 11.8168 16.2817 16.2817 16.6562 16.6562 19.4872 19.4872 19.7002 19.7002 23.2673 23.2673 27.5506 27.5506 k = 0.4700 0.2714 0.3021 ( 1174 PWs) bands (ev): -53.1406 -53.1406 -25.3817 -25.3817 -24.4630 -24.4630 -24.1841 -24.1841 8.8921 8.8921 11.7992 11.7992 16.2405 16.2405 16.6830 16.6830 19.4810 19.4810 19.7338 19.7338 23.2573 23.2573 27.6039 27.6039 k = 0.4675 0.2699 0.3103 ( 1174 PWs) bands (ev): -53.1400 -53.1400 -25.3815 -25.3815 -24.4641 -24.4641 -24.1875 -24.1875 8.9259 8.9259 11.7804 11.7804 16.1967 16.1967 16.7121 16.7121 19.4741 19.4741 19.7681 19.7681 23.2480 23.2480 27.6594 27.6594 k = 0.4650 0.2685 0.3184 ( 1172 PWs) bands (ev): -53.1387 -53.1387 -25.3812 -25.3812 -24.4651 -24.4651 -24.1910 -24.1910 8.9621 8.9621 11.7607 11.7607 16.1506 16.1506 16.7438 16.7438 19.4716 19.4716 19.8086 19.8086 23.2366 23.2366 27.7159 27.7159 k = 0.4625 0.2670 0.3266 ( 1173 PWs) bands (ev): -53.1384 -53.1384 -25.3810 -25.3810 -24.4663 -24.4663 -24.1949 -24.1949 9.0004 9.0004 11.7399 11.7399 16.1000 16.1000 16.7772 16.7772 19.4638 19.4638 19.8486 19.8486 23.2238 23.2238 27.7721 27.7721 k = 0.4600 0.2656 0.3348 ( 1171 PWs) bands (ev): -53.1370 -53.1370 -25.3808 -25.3808 -24.4675 -24.4675 -24.1988 -24.1988 9.0411 9.0411 11.7186 11.7186 16.0488 16.0488 16.8137 16.8137 19.4558 19.4558 19.8987 19.8987 23.2105 23.2105 27.8283 27.8283 k = 0.4575 0.2641 0.3429 ( 1171 PWs) bands (ev): -53.1363 -53.1363 -25.3806 -25.3806 -24.4688 -24.4688 -24.2030 -24.2030 9.0838 9.0838 11.6962 11.6962 15.9952 15.9952 16.8518 16.8518 19.4460 19.4460 19.9446 19.9446 23.1975 23.1975 27.8828 27.8828 k = 0.4550 0.2627 0.3511 ( 1171 PWs) bands (ev): -53.1356 -53.1356 -25.3805 -25.3805 -24.4701 -24.4701 -24.2073 -24.2073 9.1285 9.1285 11.6731 11.6731 15.9399 15.9399 16.8912 16.8912 19.4369 19.4369 19.9941 19.9941 23.1820 23.1820 27.9347 27.9347 k = 0.4525 0.2613 0.3593 ( 1171 PWs) bands (ev): -53.1348 -53.1348 -25.3803 -25.3803 -24.4715 -24.4715 -24.2118 -24.2118 9.1750 9.1750 11.6495 11.6495 15.8831 15.8831 16.9326 16.9326 19.4275 19.4275 20.0460 20.0460 23.1655 23.1655 27.9829 27.9829 k = 0.4500 0.2598 0.3674 ( 1169 PWs) bands (ev): -53.1333 -53.1333 -25.3801 -25.3801 -24.4728 -24.4728 -24.2162 -24.2162 9.2233 9.2233 11.6256 11.6256 15.8253 15.8253 16.9772 16.9772 19.4209 19.4209 20.1023 20.1023 23.1484 23.1484 28.0262 28.0262 k = 0.4475 0.2584 0.3756 ( 1167 PWs) bands (ev): -53.1319 -53.1319 -25.3800 -25.3800 -24.4742 -24.4742 -24.2207 -24.2207 9.2732 9.2732 11.6014 11.6014 15.7685 15.7685 17.0224 17.0224 19.4107 19.4107 20.1604 20.1604 23.1322 23.1322 28.0648 28.0648 k = 0.4450 0.2569 0.3838 ( 1165 PWs) bands (ev): -53.1304 -53.1304 -25.3799 -25.3799 -24.4756 -24.4756 -24.2254 -24.2254 9.3250 9.3250 11.5772 11.5772 15.7092 15.7092 17.0695 17.0695 19.4006 19.4006 20.2222 20.2222 23.1141 23.1141 28.0944 28.0944 k = 0.4425 0.2555 0.3919 ( 1167 PWs) bands (ev): -53.1302 -53.1302 -25.3800 -25.3800 -24.4773 -24.4773 -24.2302 -24.2302 9.3776 9.3776 11.5527 11.5527 15.6443 15.6443 17.1184 17.1184 19.3890 19.3890 20.2791 20.2791 23.0949 23.0949 28.1119 28.1119 k = 0.4400 0.2540 0.4001 ( 1167 PWs) bands (ev): -53.1293 -53.1293 -25.3801 -25.3801 -24.4788 -24.4788 -24.2350 -24.2350 9.4313 9.4313 11.5284 11.5284 15.5819 15.5819 17.1688 17.1688 19.3779 19.3779 20.3411 20.3411 23.0735 23.0735 28.1201 28.1201 k = 0.4375 0.2526 0.4082 ( 1169 PWs) bands (ev): -53.1291 -53.1291 -25.3803 -25.3803 -24.4805 -24.4805 -24.2399 -24.2399 9.4859 9.4859 11.5042 11.5042 15.5189 15.5189 17.2171 17.2171 19.3665 19.3665 20.4025 20.4025 23.0500 23.0500 28.1162 28.1162 k = 0.4350 0.2511 0.4164 ( 1167 PWs) bands (ev): -53.1276 -53.1276 -25.3804 -25.3804 -24.4820 -24.4820 -24.2445 -24.2445 9.5412 9.5412 11.4807 11.4807 15.4557 15.4557 17.2741 17.2741 19.3551 19.3551 20.4688 20.4688 23.0289 23.0289 28.0992 28.0992 k = 0.4325 0.2497 0.4246 ( 1169 PWs) bands (ev): -53.1273 -53.1273 -25.3807 -25.3807 -24.4837 -24.4837 -24.2494 -24.2494 9.5970 9.5970 11.4574 11.4574 15.3896 15.3896 17.3286 17.3286 19.3435 19.3435 20.5345 20.5345 23.0017 23.0017 28.0669 28.0669 k = 0.4300 0.2483 0.4327 ( 1169 PWs) bands (ev): -53.1264 -53.1264 -25.3810 -25.3810 -24.4853 -24.4853 -24.2541 -24.2541 9.6530 9.6530 11.4352 11.4352 15.3258 15.3258 17.3848 17.3848 19.3318 19.3318 20.6024 20.6024 22.9759 22.9759 28.0232 28.0232 k = 0.4275 0.2468 0.4409 ( 1169 PWs) bands (ev): -53.1255 -53.1255 -25.3814 -25.3814 -24.4869 -24.4869 -24.2587 -24.2587 9.7090 9.7090 11.4141 11.4141 15.2619 15.2619 17.4422 17.4422 19.3201 19.3201 20.6715 20.6715 22.9490 22.9490 27.9672 27.9672 k = 0.4250 0.2454 0.4491 ( 1169 PWs) bands (ev): -53.1246 -53.1246 -25.3818 -25.3818 -24.4885 -24.4885 -24.2632 -24.2632 9.7651 9.7651 11.3942 11.3942 15.1963 15.1963 17.5020 17.5020 19.3100 19.3100 20.7395 20.7395 22.9215 22.9215 27.8996 27.8996 k = 0.4225 0.2439 0.4572 ( 1169 PWs) bands (ev): -53.1237 -53.1237 -25.3823 -25.3823 -24.4901 -24.4901 -24.2677 -24.2677 9.8202 9.8202 11.3762 11.3762 15.1338 15.1338 17.5593 17.5593 19.2968 19.2968 20.8124 20.8124 22.8923 22.8923 27.8243 27.8243 k = 0.4200 0.2425 0.4654 ( 1168 PWs) bands (ev): -53.1225 -53.1225 -25.3828 -25.3828 -24.4916 -24.4916 -24.2719 -24.2719 9.8738 9.8738 11.3599 11.3599 15.0709 15.0709 17.6221 17.6221 19.2852 19.2852 20.8826 20.8826 22.8636 22.8636 27.7424 27.7424 k = 0.4175 0.2410 0.4736 ( 1168 PWs) bands (ev): -53.1217 -53.1217 -25.3834 -25.3834 -24.4931 -24.4931 -24.2761 -24.2761 9.9262 9.9262 11.3455 11.3455 15.0078 15.0078 17.6833 17.6833 19.2736 19.2736 20.9542 20.9542 22.8321 22.8321 27.6556 27.6556 k = 0.4150 0.2396 0.4817 ( 1168 PWs) bands (ev): -53.1208 -53.1208 -25.3841 -25.3841 -24.4946 -24.4946 -24.2801 -24.2801 9.9767 9.9767 11.3335 11.3335 14.9452 14.9452 17.7450 17.7450 19.2622 19.2622 21.0258 21.0258 22.7996 22.7996 27.5663 27.5663 k = 0.4125 0.2382 0.4899 ( 1168 PWs) bands (ev): -53.1200 -53.1200 -25.3848 -25.3848 -24.4962 -24.4962 -24.2839 -24.2839 10.0250 10.0250 11.3238 11.3238 14.8810 14.8810 17.8099 17.8099 19.2523 19.2523 21.0969 21.0969 22.7667 22.7667 27.4745 27.4745 k = 0.4100 0.2367 0.4981 ( 1166 PWs) bands (ev): -53.1185 -53.1185 -25.3855 -25.3855 -24.4975 -24.4975 -24.2875 -24.2875 10.0710 10.0710 11.3176 11.3176 14.8198 14.8198 17.8744 17.8744 19.2422 19.2422 21.1701 21.1701 22.7333 22.7333 27.3862 27.3862 k = 0.4075 0.2353 0.5062 ( 1168 PWs) bands (ev): -53.1184 -53.1184 -25.3865 -25.3865 -24.4989 -24.4989 -24.2911 -24.2911 10.1135 10.1135 11.3144 11.3144 14.7586 14.7586 17.9327 17.9327 19.2309 19.2309 21.2384 21.2384 22.6995 22.6995 27.2976 27.2976 k = 0.4050 0.2338 0.5144 ( 1168 PWs) bands (ev): -53.1176 -53.1176 -25.3873 -25.3873 -24.5003 -24.5003 -24.2944 -24.2944 10.1526 10.1526 11.3146 11.3146 14.6987 14.6987 17.9950 17.9950 19.2211 19.2211 21.3054 21.3054 22.6665 22.6665 27.2141 27.2141 k = 0.4025 0.2324 0.5226 ( 1168 PWs) bands (ev): -53.1169 -53.1169 -25.3883 -25.3883 -24.5016 -24.5016 -24.2975 -24.2975 10.1879 10.1879 11.3183 11.3183 14.6398 14.6398 18.0569 18.0569 19.2119 19.2119 21.3694 21.3694 22.6351 22.6351 27.1349 27.1349 k = 0.4000 0.2309 0.5307 ( 1168 PWs) bands (ev): -53.1161 -53.1161 -25.3892 -25.3892 -24.5028 -24.5028 -24.3003 -24.3003 10.2191 10.2191 11.3255 11.3255 14.5820 14.5820 18.1183 18.1183 19.2035 19.2035 21.4289 21.4289 22.6065 22.6065 27.0609 27.0609 k = 0.3975 0.2295 0.5389 ( 1162 PWs) bands (ev): -53.1135 -53.1135 -25.3900 -25.3900 -24.5037 -24.5037 -24.3025 -24.3025 10.2466 10.2466 11.3363 11.3363 14.5268 14.5268 18.1864 18.1864 19.2006 19.2006 21.4843 21.4843 22.5883 22.5883 26.9948 26.9948 k = 0.3950 0.2281 0.5471 ( 1162 PWs) bands (ev): -53.1129 -53.1129 -25.3910 -25.3910 -24.5048 -24.5048 -24.3049 -24.3049 10.2698 10.2698 11.3500 11.3500 14.4717 14.4717 18.2453 18.2453 19.1946 19.1946 21.5296 21.5296 22.5707 22.5707 26.9330 26.9330 k = 0.3925 0.2266 0.5552 ( 1164 PWs) bands (ev): -53.1129 -53.1129 -25.3921 -25.3921 -24.5060 -24.5060 -24.3071 -24.3071 10.2890 10.2890 11.3656 11.3656 14.4175 14.4175 18.3022 18.3022 19.1900 19.1900 21.5586 21.5586 22.5620 22.5620 26.8778 26.8778 k = 0.3900 0.2252 0.5634 ( 1164 PWs) bands (ev): -53.1124 -53.1124 -25.3931 -25.3931 -24.5069 -24.5069 -24.3090 -24.3090 10.3046 10.3046 11.3840 11.3840 14.3659 14.3659 18.3574 18.3574 19.1872 19.1872 21.5800 21.5800 22.5654 22.5654 26.8298 26.8298 k = 0.3875 0.2237 0.5715 ( 1158 PWs) bands (ev): -53.1099 -53.1099 -25.3938 -25.3938 -24.5073 -24.5073 -24.3105 -24.3105 10.3171 10.3171 11.4043 11.4043 14.3203 14.3203 18.4127 18.4127 19.1896 19.1896 21.5936 21.5936 22.5852 22.5852 26.7935 26.7935 k = 0.3850 0.2223 0.5797 ( 1160 PWs) bands (ev): -53.1101 -53.1101 -25.3949 -25.3949 -24.5081 -24.5081 -24.3121 -24.3121 10.3262 10.3262 11.4246 11.4246 14.2731 14.2731 18.4592 18.4592 19.1891 19.1891 21.5853 21.5853 22.6138 22.6138 26.7594 26.7594 k = 0.3825 0.2208 0.5879 ( 1156 PWs) bands (ev): -53.1084 -53.1084 -25.3957 -25.3957 -24.5087 -24.5087 -24.3128 -24.3128 10.3344 10.3344 11.4447 11.4447 14.2301 14.2301 18.5065 18.5065 19.1956 19.1956 21.5624 21.5624 22.6636 22.6636 26.7368 26.7368 k = 0.3800 0.2194 0.5960 ( 1156 PWs) bands (ev): -53.1081 -53.1081 -25.3966 -25.3966 -24.5093 -24.5093 -24.3138 -24.3138 10.3395 10.3395 11.4636 11.4636 14.1889 14.1889 18.5476 18.5476 19.2037 19.2037 21.5263 21.5263 22.7204 22.7204 26.7180 26.7180 k = 0.3775 0.2179 0.6042 ( 1154 PWs) bands (ev): -53.1071 -53.1071 -25.3974 -25.3974 -24.5096 -24.5096 -24.3145 -24.3145 10.3429 10.3429 11.4806 11.4806 14.1537 14.1537 18.5840 18.5840 19.2158 19.2158 21.4805 21.4805 22.7888 22.7888 26.7096 26.7096 k = 0.3750 0.2165 0.6124 ( 1154 PWs) bands (ev): -53.1069 -53.1069 -25.3982 -25.3982 -24.5099 -24.5099 -24.3149 -24.3149 10.3452 10.3452 11.4947 11.4947 14.1199 14.1199 18.6152 18.6152 19.2313 19.2313 21.4244 21.4244 22.8654 22.8654 26.7051 26.7051 k = 0.6250-0.0722 0.4082 ( 1154 PWs) bands (ev): -53.1069 -53.1069 -25.3982 -25.3982 -24.5099 -24.5099 -24.3149 -24.3149 10.3452 10.3452 11.4947 11.4947 14.1199 14.1199 18.6152 18.6152 19.2313 19.2313 21.4244 21.4244 22.8654 22.8654 26.7051 26.7051 k = 0.6207-0.0796 0.4082 ( 1154 PWs) bands (ev): -53.1065 -53.1065 -25.3995 -25.3995 -24.5103 -24.5103 -24.3154 -24.3154 10.3472 10.3472 11.5166 11.5166 14.0656 14.0656 18.6648 18.6648 19.2609 19.2609 21.3216 21.3216 23.0067 23.0067 26.7040 26.7040 k = 0.6164-0.0871 0.4082 ( 1158 PWs) bands (ev): -53.1075 -53.1075 -25.4010 -25.4010 -24.5110 -24.5110 -24.3159 -24.3159 10.3455 10.3455 11.5392 11.5392 14.0115 14.0115 18.7139 18.7139 19.2896 19.2896 21.2200 21.2200 23.1432 23.1432 26.6992 26.6992 k = 0.6121-0.0946 0.4082 ( 1158 PWs) bands (ev): -53.1072 -53.1072 -25.4023 -25.4023 -24.5114 -24.5114 -24.3160 -24.3160 10.3437 10.3437 11.5626 11.5626 13.9587 13.9587 18.7643 18.7643 19.3174 19.3174 21.1209 21.1209 23.2932 23.2932 26.7003 26.7003 k = 0.6078-0.1020 0.4082 ( 1154 PWs) bands (ev): -53.1056 -53.1056 -25.4033 -25.4033 -24.5115 -24.5115 -24.3157 -24.3157 10.3411 10.3411 11.5868 11.5868 13.9069 13.9069 18.8206 18.8206 19.3456 19.3456 21.0298 21.0298 23.4479 23.4479 26.7042 26.7042 k = 0.6034-0.1095 0.4082 ( 1154 PWs) bands (ev): -53.1053 -53.1053 -25.4046 -25.4046 -24.5119 -24.5119 -24.3154 -24.3154 10.3362 10.3362 11.6112 11.6112 13.8561 13.8561 18.8711 18.8711 19.3715 19.3715 20.9348 20.9348 23.6059 23.6059 26.7074 26.7074 k = 0.5991-0.1170 0.4082 ( 1156 PWs) bands (ev): -53.1058 -53.1058 -25.4059 -25.4059 -24.5125 -24.5125 -24.3150 -24.3150 10.3290 10.3290 11.6360 11.6360 13.8062 13.8062 18.9215 18.9215 19.3964 19.3964 20.8412 20.8412 23.7637 23.7637 26.7087 26.7087 k = 0.5948-0.1244 0.4082 ( 1156 PWs) bands (ev): -53.1056 -53.1056 -25.4071 -25.4071 -24.5129 -24.5129 -24.3143 -24.3143 10.3217 10.3217 11.6611 11.6611 13.7578 13.7578 18.9718 18.9718 19.4204 19.4204 20.7511 20.7511 23.9292 23.9292 26.7132 26.7132 k = 0.5905-0.1319 0.4082 ( 1156 PWs) bands (ev): -53.1055 -53.1055 -25.4083 -25.4083 -24.5133 -24.5133 -24.3134 -24.3134 10.3136 10.3136 11.6863 11.6863 13.7108 13.7108 19.0216 19.0216 19.4434 19.4434 20.6635 20.6635 24.0982 24.0982 26.7182 26.7182 k = 0.5862-0.1394 0.4082 ( 1160 PWs) bands (ev): -53.1066 -53.1066 -25.4097 -25.4097 -24.5139 -24.5139 -24.3128 -24.3128 10.3043 10.3043 11.7115 11.7115 13.6643 13.6643 19.0608 19.0608 19.4651 19.4651 20.5786 20.5786 24.2699 24.2699 26.7188 26.7188 k = 0.5819-0.1468 0.4082 ( 1160 PWs) bands (ev): -53.1065 -53.1065 -25.4108 -25.4108 -24.5144 -24.5144 -24.3117 -24.3117 10.2948 10.2948 11.7367 11.7367 13.6203 13.6203 19.1093 19.1093 19.4862 19.4862 20.4969 20.4969 24.4452 24.4452 26.7245 26.7245 k = 0.5776-0.1543 0.4082 ( 1160 PWs) bands (ev): -53.1064 -53.1064 -25.4119 -25.4119 -24.5149 -24.5149 -24.3105 -24.3105 10.2848 10.2848 11.7616 11.7616 13.5780 13.5780 19.1569 19.1569 19.5062 19.5062 20.4182 20.4182 24.6232 24.6232 26.7305 26.7305 k = 0.5733-0.1618 0.4082 ( 1164 PWs) bands (ev): -53.1076 -53.1076 -25.4132 -25.4132 -24.5155 -24.5155 -24.3095 -24.3095 10.2738 10.2738 11.7860 11.7860 13.5373 13.5373 19.1974 19.1974 19.5201 19.5201 20.3415 20.3415 24.8022 24.8022 26.7347 26.7347 k = 0.5690-0.1692 0.4082 ( 1164 PWs) bands (ev): -53.1075 -53.1075 -25.4142 -25.4142 -24.5160 -24.5160 -24.3082 -24.3082 10.2634 10.2634 11.8100 11.8100 13.4986 13.4986 19.2427 19.2427 19.5380 19.5380 20.2694 20.2694 24.9849 24.9849 26.7409 26.7409 k = 0.5647-0.1767 0.4082 ( 1164 PWs) bands (ev): -53.1074 -53.1074 -25.4152 -25.4152 -24.5165 -24.5165 -24.3068 -24.3068 10.2529 10.2529 11.8334 11.8334 13.4618 13.4618 19.2865 19.2865 19.5548 19.5548 20.2009 20.2009 25.1695 25.1695 26.7472 26.7472 k = 0.5603-0.1842 0.4082 ( 1164 PWs) bands (ev): -53.1073 -53.1073 -25.4162 -25.4162 -24.5170 -24.5170 -24.3053 -24.3053 10.2425 10.2425 11.8560 11.8560 13.4271 13.4271 19.3287 19.3287 19.5706 19.5706 20.1361 20.1361 25.3558 25.3558 26.7535 26.7535 k = 0.5560-0.1916 0.4082 ( 1172 PWs) bands (ev): -53.1099 -53.1099 -25.4174 -25.4174 -24.5179 -24.5179 -24.3044 -24.3044 10.2310 10.2310 11.8774 11.8774 13.3937 13.3937 19.3562 19.3562 19.5843 19.5843 20.0670 20.0670 25.5393 25.5393 26.7519 26.7519 k = 0.5517-0.1991 0.4082 ( 1172 PWs) bands (ev): -53.1098 -53.1098 -25.4183 -25.4183 -24.5184 -24.5184 -24.3030 -24.3030 10.2211 10.2211 11.8982 11.8982 13.3632 13.3632 19.3942 19.3942 19.5979 19.5979 20.0098 20.0098 25.7277 25.7277 26.7580 26.7580 k = 0.5474-0.2066 0.4082 ( 1172 PWs) bands (ev): -53.1098 -53.1098 -25.4191 -25.4191 -24.5189 -24.5189 -24.3016 -24.3016 10.2116 10.2116 11.9178 11.9178 13.3349 13.3349 19.4300 19.4300 19.6105 19.6105 19.9568 19.9568 25.9164 25.9164 26.7642 26.7642 k = 0.5431-0.2140 0.4082 ( 1168 PWs) bands (ev): -53.1084 -53.1084 -25.4196 -25.4196 -24.5191 -24.5191 -24.3001 -24.3001 10.2037 10.2037 11.9363 11.9363 13.3089 13.3089 19.4640 19.4640 19.6223 19.6223 19.9192 19.9192 26.1062 26.1062 26.7713 26.7713 k = 0.5388-0.2215 0.4082 ( 1168 PWs) bands (ev): -53.1084 -53.1084 -25.4203 -25.4203 -24.5195 -24.5195 -24.2989 -24.2989 10.1953 10.1953 11.9533 11.9533 13.2852 13.2852 19.4948 19.4948 19.6327 19.6327 19.8747 19.8747 26.2931 26.2931 26.7791 26.7791 k = 0.5345-0.2289 0.4082 ( 1168 PWs) bands (ev): -53.1084 -53.1084 -25.4210 -25.4210 -24.5199 -24.5199 -24.2976 -24.2976 10.1888 10.1888 11.9686 11.9686 13.2645 13.2645 19.5200 19.5200 19.6406 19.6406 19.8314 19.8314 26.4761 26.4761 26.7936 26.7936 k = 0.5302-0.2364 0.4082 ( 1170 PWs) bands (ev): -53.1091 -53.1091 -25.4216 -25.4216 -24.5203 -24.5203 -24.2967 -24.2967 10.1810 10.1810 11.9826 11.9826 13.2451 13.2451 19.5430 19.5430 19.6483 19.6483 19.7963 19.7963 26.6407 26.6407 26.8149 26.8149 k = 0.5259-0.2439 0.4082 ( 1166 PWs) bands (ev): -53.1078 -53.1078 -25.4219 -25.4219 -24.5204 -24.5204 -24.2955 -24.2955 10.1747 10.1747 11.9949 11.9949 13.2291 13.2291 19.5747 19.5747 19.6568 19.6568 19.7685 19.7685 26.7388 26.7388 26.9109 26.9109 k = 0.5216-0.2513 0.4082 ( 1166 PWs) bands (ev): -53.1078 -53.1078 -25.4224 -25.4224 -24.5207 -24.5207 -24.2946 -24.2946 10.1694 10.1694 12.0054 12.0054 13.2151 13.2151 19.5926 19.5926 19.6611 19.6611 19.7444 19.7444 26.7640 26.7640 27.0739 27.0739 k = 0.5172-0.2588 0.4082 ( 1162 PWs) bands (ev): -53.1065 -53.1065 -25.4226 -25.4226 -24.5207 -24.5207 -24.2937 -24.2937 10.1670 10.1670 12.0142 12.0142 13.2041 13.2041 19.6080 19.6080 19.6635 19.6635 19.7298 19.7298 26.7759 26.7759 27.2548 27.2548 k = 0.5129-0.2663 0.4082 ( 1162 PWs) bands (ev): -53.1066 -53.1066 -25.4228 -25.4228 -24.5209 -24.5209 -24.2931 -24.2931 10.1634 10.1634 12.0210 12.0210 13.1951 13.1951 19.6190 19.6190 19.6628 19.6628 19.7184 19.7184 26.7808 26.7808 27.4310 27.4310 k = 0.5086-0.2737 0.4082 ( 1162 PWs) bands (ev): -53.1066 -53.1066 -25.4230 -25.4230 -24.5210 -24.5210 -24.2927 -24.2927 10.1609 10.1609 12.0259 12.0259 13.1887 13.1887 19.6266 19.6266 19.6603 19.6603 19.7125 19.7125 26.7837 26.7837 27.6032 27.6032 k = 0.5043-0.2812 0.4082 ( 1162 PWs) bands (ev): -53.1066 -53.1066 -25.4231 -25.4231 -24.5211 -24.5211 -24.2925 -24.2925 10.1593 10.1593 12.0289 12.0289 13.1848 13.1848 19.6309 19.6309 19.6578 19.6578 19.7103 19.7103 26.7852 26.7852 27.7611 27.7611 k = 0.5000-0.2887 0.4082 ( 1162 PWs) bands (ev): -53.1066 -53.1066 -25.4232 -25.4232 -24.5211 -24.5211 -24.2924 -24.2924 10.1588 10.1588 12.0299 12.0299 13.1835 13.1835 19.6323 19.6323 19.6568 19.6568 19.7097 19.7097 26.7857 26.7857 27.8370 27.8370 Writing output data file CrH2.save init_run : 0.06s CPU 0.25s WALL ( 1 calls) electrons : 34.85s CPU 37.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 34.84s CPU 37.15s 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 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 536 calls) cegterg : 31.61s CPU 32.35s WALL ( 536 calls) Called by sum_band: Called by *egterg: h_psi : 14.80s CPU 15.24s WALL ( 6600 calls) s_psi : 0.08s CPU 0.09s WALL ( 6600 calls) g_psi : 0.02s CPU 0.03s WALL ( 5528 calls) cdiaghg : 16.76s CPU 17.12s WALL ( 6064 calls) cegterg:over : 0.96s CPU 0.94s WALL ( 5528 calls) cegterg:upda : 0.62s CPU 0.67s WALL ( 5528 calls) cegterg:last : 0.31s CPU 0.30s WALL ( 1072 calls) cdiaghg:chol : 0.92s CPU 0.85s WALL ( 6064 calls) cdiaghg:inve : 0.23s CPU 0.23s WALL ( 6064 calls) cdiaghg:para : 1.16s CPU 1.15s WALL ( 12128 calls) Called by h_psi: h_psi:vloc : 13.76s CPU 14.15s WALL ( 6600 calls) h_psi:vnl : 1.02s CPU 1.07s WALL ( 6600 calls) add_vuspsi : 0.54s CPU 0.56s WALL ( 6600 calls) General routines calbec : 0.45s CPU 0.49s WALL ( 6600 calls) fft : 0.00s CPU 0.00s WALL ( 14 calls) fftw : 13.18s CPU 13.51s WALL ( 378444 calls) davcio : 0.08s CPU 0.13s WALL ( 1072 calls) Parallel routines fft_scatter : 7.09s CPU 7.17s WALL ( 378458 calls) PWSCF : 0m42.35s CPU 1m27.93s WALL This run was terminated on: 17:27:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=