Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:54:32 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: ./Mo.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 12 3 305 157 27 Max 19 13 4 309 167 32 Sum 649 433 139 11017 5817 1037 bravais-lattice index = 14 lattice parameter (alat) = 5.5588 a.u. unit-cell volume = 121.4553 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 307.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.558750 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 Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mo 14.00 95.94000 Mo( 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= 500 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 2) = ( 0.0065790 -0.0037984 0.0053717), wk = 0.0020000 k( 3) = ( 0.0131579 -0.0075967 0.0107434), wk = 0.0020000 k( 4) = ( 0.0197368 -0.0113951 0.0161151), wk = 0.0020000 k( 5) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0020000 k( 6) = ( 0.0328947 -0.0189918 0.0268584), wk = 0.0020000 k( 7) = ( 0.0394737 -0.0227901 0.0322301), wk = 0.0020000 k( 8) = ( 0.0460526 -0.0265885 0.0376018), wk = 0.0020000 k( 9) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0020000 k( 10) = ( 0.0592105 -0.0341852 0.0483452), wk = 0.0020000 k( 11) = ( 0.0657895 -0.0379836 0.0537169), wk = 0.0020000 k( 12) = ( 0.0723684 -0.0417819 0.0590886), wk = 0.0020000 k( 13) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0020000 k( 14) = ( 0.0855263 -0.0493786 0.0698319), wk = 0.0020000 k( 15) = ( 0.0921053 -0.0531770 0.0752036), wk = 0.0020000 k( 16) = ( 0.0986842 -0.0569754 0.0805753), wk = 0.0020000 k( 17) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0020000 k( 18) = ( 0.1118421 -0.0645721 0.0913187), wk = 0.0020000 k( 19) = ( 0.1184210 -0.0683704 0.0966904), wk = 0.0020000 k( 20) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0020000 k( 21) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0020000 k( 22) = ( 0.1381579 -0.0797655 0.1128054), wk = 0.0020000 k( 23) = ( 0.1447368 -0.0835639 0.1181771), wk = 0.0020000 k( 24) = ( 0.1513158 -0.0873622 0.1235488), wk = 0.0020000 k( 25) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0020000 k( 26) = ( 0.1644737 -0.0949589 0.1342922), wk = 0.0020000 k( 27) = ( 0.1710526 -0.0987573 0.1396639), wk = 0.0020000 k( 28) = ( 0.1776316 -0.1025556 0.1450356), wk = 0.0020000 k( 29) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0020000 k( 30) = ( 0.1907895 -0.1101524 0.1557789), wk = 0.0020000 k( 31) = ( 0.1973684 -0.1139507 0.1611506), wk = 0.0020000 k( 32) = ( 0.2039474 -0.1177491 0.1665223), wk = 0.0020000 k( 33) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0020000 k( 34) = ( 0.2171053 -0.1253458 0.1772657), wk = 0.0020000 k( 35) = ( 0.2236842 -0.1291441 0.1826374), wk = 0.0020000 k( 36) = ( 0.2302632 -0.1329425 0.1880091), wk = 0.0020000 k( 37) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0020000 k( 38) = ( 0.2434210 -0.1405392 0.1987525), wk = 0.0020000 k( 39) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020000 k( 40) = ( 0.2565789 -0.1481359 0.2094958), wk = 0.0020000 k( 41) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0020000 k( 42) = ( 0.2697368 -0.1557326 0.2202392), wk = 0.0020000 k( 43) = ( 0.2763158 -0.1595310 0.2256109), wk = 0.0020000 k( 44) = ( 0.2828947 -0.1633294 0.2309826), wk = 0.0020000 k( 45) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0020000 k( 46) = ( 0.2960526 -0.1709261 0.2417260), wk = 0.0020000 k( 47) = ( 0.3026316 -0.1747244 0.2470977), wk = 0.0020000 k( 48) = ( 0.3092105 -0.1785228 0.2524693), wk = 0.0020000 k( 49) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0020000 k( 50) = ( 0.3223684 -0.1861195 0.2632127), wk = 0.0020000 k( 51) = ( 0.3289474 -0.1899179 0.2685844), wk = 0.0020000 k( 52) = ( 0.3355263 -0.1937162 0.2739561), wk = 0.0020000 k( 53) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0020000 k( 54) = ( 0.3486842 -0.2013129 0.2846995), wk = 0.0020000 k( 55) = ( 0.3552632 -0.2051113 0.2900712), wk = 0.0020000 k( 56) = ( 0.3618421 -0.2089096 0.2954428), wk = 0.0020000 k( 57) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0020000 k( 58) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0020000 k( 59) = ( 0.3815789 -0.2203047 0.3115579), wk = 0.0020000 k( 60) = ( 0.3881579 -0.2241031 0.3169296), wk = 0.0020000 k( 61) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0020000 k( 62) = ( 0.4013158 -0.2316998 0.3276730), wk = 0.0020000 k( 63) = ( 0.4078947 -0.2354981 0.3330447), wk = 0.0020000 k( 64) = ( 0.4144737 -0.2392965 0.3384163), wk = 0.0020000 k( 65) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0020000 k( 66) = ( 0.4276316 -0.2468932 0.3491597), wk = 0.0020000 k( 67) = ( 0.4342105 -0.2506916 0.3545314), wk = 0.0020000 k( 68) = ( 0.4407895 -0.2544899 0.3599031), wk = 0.0020000 k( 69) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0020000 k( 70) = ( 0.4539474 -0.2620866 0.3706465), wk = 0.0020000 k( 71) = ( 0.4605263 -0.2658850 0.3760182), wk = 0.0020000 k( 72) = ( 0.4671053 -0.2696833 0.3813898), wk = 0.0020000 k( 73) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0020000 k( 74) = ( 0.4802632 -0.2772801 0.3921332), wk = 0.0020000 k( 75) = ( 0.4868421 -0.2810784 0.3975049), wk = 0.0020000 k( 76) = ( 0.4934211 -0.2848768 0.4028766), wk = 0.0020000 k( 77) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020000 k( 78) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020000 k( 79) = ( 0.5000000 -0.2810784 0.4136200), wk = 0.0020000 k( 80) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0020000 k( 81) = ( 0.5000000 -0.2658850 0.4243634), wk = 0.0020000 k( 82) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0020000 k( 83) = ( 0.5000000 -0.2506916 0.4351067), wk = 0.0020000 k( 84) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0020000 k( 85) = ( 0.5000000 -0.2354981 0.4458501), wk = 0.0020000 k( 86) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0020000 k( 87) = ( 0.5000000 -0.2203047 0.4565935), wk = 0.0020000 k( 88) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0020000 k( 89) = ( 0.5000000 -0.2051113 0.4673369), wk = 0.0020000 k( 90) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0020000 k( 91) = ( 0.5000000 -0.1899178 0.4780802), wk = 0.0020000 k( 92) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0020000 k( 93) = ( 0.5000000 -0.1747244 0.4888236), wk = 0.0020000 k( 94) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0020000 k( 95) = ( 0.5000000 -0.1595310 0.4995670), wk = 0.0020000 k( 96) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0020000 k( 97) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0020000 k( 98) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0020000 k( 99) = ( 0.5000000 -0.1291441 0.5210537), wk = 0.0020000 k( 100) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0020000 k( 101) = ( 0.5000000 -0.1139507 0.5317971), wk = 0.0020000 k( 102) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0020000 k( 103) = ( 0.5000000 -0.0987573 0.5425405), wk = 0.0020000 k( 104) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0020000 k( 105) = ( 0.5000000 -0.0835639 0.5532839), wk = 0.0020000 k( 106) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0020000 k( 107) = ( 0.5000000 -0.0683704 0.5640272), wk = 0.0020000 k( 108) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0020000 k( 109) = ( 0.5000000 -0.0531770 0.5747706), wk = 0.0020000 k( 110) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0020000 k( 111) = ( 0.5000000 -0.0379836 0.5855140), wk = 0.0020000 k( 112) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0020000 k( 113) = ( 0.5000000 -0.0227901 0.5962574), wk = 0.0020000 k( 114) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0020000 k( 115) = ( 0.5000000 -0.0075967 0.6070007), wk = 0.0020000 k( 116) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020000 k( 117) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020000 k( 118) = ( 0.4953704 0.0080188 0.6123724), wk = 0.0020000 k( 119) = ( 0.4907407 0.0160375 0.6123724), wk = 0.0020000 k( 120) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0020000 k( 121) = ( 0.4814815 0.0320750 0.6123724), wk = 0.0020000 k( 122) = ( 0.4768519 0.0400938 0.6123724), wk = 0.0020000 k( 123) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0020000 k( 124) = ( 0.4675926 0.0561313 0.6123724), wk = 0.0020000 k( 125) = ( 0.4629630 0.0641500 0.6123724), wk = 0.0020000 k( 126) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0020000 k( 127) = ( 0.4537037 0.0801875 0.6123724), wk = 0.0020000 k( 128) = ( 0.4490741 0.0882063 0.6123724), wk = 0.0020000 k( 129) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0020000 k( 130) = ( 0.4398148 0.1042438 0.6123724), wk = 0.0020000 k( 131) = ( 0.4351852 0.1122625 0.6123724), wk = 0.0020000 k( 132) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0020000 k( 133) = ( 0.4259259 0.1283001 0.6123724), wk = 0.0020000 k( 134) = ( 0.4212963 0.1363188 0.6123724), wk = 0.0020000 k( 135) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0020000 k( 136) = ( 0.4120370 0.1523563 0.6123724), wk = 0.0020000 k( 137) = ( 0.4074074 0.1603751 0.6123724), wk = 0.0020000 k( 138) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0020000 k( 139) = ( 0.3981481 0.1764126 0.6123724), wk = 0.0020000 k( 140) = ( 0.3935185 0.1844313 0.6123724), wk = 0.0020000 k( 141) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0020000 k( 142) = ( 0.3842593 0.2004688 0.6123724), wk = 0.0020000 k( 143) = ( 0.3796296 0.2084876 0.6123724), wk = 0.0020000 k( 144) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020000 k( 145) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020000 k( 146) = ( 0.3703704 0.2138334 0.6048123), wk = 0.0020000 k( 147) = ( 0.3657407 0.2111605 0.5972521), wk = 0.0020000 k( 148) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0020000 k( 149) = ( 0.3564815 0.2058147 0.5821318), wk = 0.0020000 k( 150) = ( 0.3518519 0.2031418 0.5745717), wk = 0.0020000 k( 151) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0020000 k( 152) = ( 0.3425926 0.1977959 0.5594514), wk = 0.0020000 k( 153) = ( 0.3379630 0.1951230 0.5518912), wk = 0.0020000 k( 154) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0020000 k( 155) = ( 0.3287037 0.1897772 0.5367709), wk = 0.0020000 k( 156) = ( 0.3240741 0.1871043 0.5292108), wk = 0.0020000 k( 157) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0020000 k( 158) = ( 0.3148148 0.1817584 0.5140904), wk = 0.0020000 k( 159) = ( 0.3101852 0.1790855 0.5065303), wk = 0.0020000 k( 160) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0020000 k( 161) = ( 0.3009259 0.1737397 0.4914100), wk = 0.0020000 k( 162) = ( 0.2962963 0.1710667 0.4838498), wk = 0.0020000 k( 163) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0020000 k( 164) = ( 0.2870370 0.1657209 0.4687295), wk = 0.0020000 k( 165) = ( 0.2824074 0.1630480 0.4611694), wk = 0.0020000 k( 166) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0020000 k( 167) = ( 0.2731481 0.1577022 0.4460491), wk = 0.0020000 k( 168) = ( 0.2685185 0.1550292 0.4384889), wk = 0.0020000 k( 169) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0020000 k( 170) = ( 0.2592593 0.1496834 0.4233686), wk = 0.0020000 k( 171) = ( 0.2546296 0.1470105 0.4158084), wk = 0.0020000 k( 172) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0020000 k( 173) = ( 0.2453704 0.1416646 0.4006881), wk = 0.0020000 k( 174) = ( 0.2407407 0.1389917 0.3931280), wk = 0.0020000 k( 175) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0020000 k( 176) = ( 0.2314815 0.1336459 0.3780077), wk = 0.0020000 k( 177) = ( 0.2268518 0.1309730 0.3704475), wk = 0.0020000 k( 178) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0020000 k( 179) = ( 0.2175926 0.1256271 0.3553272), wk = 0.0020000 k( 180) = ( 0.2129630 0.1229542 0.3477671), wk = 0.0020000 k( 181) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0020000 k( 182) = ( 0.2037037 0.1176084 0.3326468), wk = 0.0020000 k( 183) = ( 0.1990741 0.1149355 0.3250866), wk = 0.0020000 k( 184) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0020000 k( 185) = ( 0.1898148 0.1095896 0.3099663), wk = 0.0020000 k( 186) = ( 0.1851852 0.1069167 0.3024061), wk = 0.0020000 k( 187) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0020000 k( 188) = ( 0.1759259 0.1015709 0.2872858), wk = 0.0020000 k( 189) = ( 0.1712963 0.0988980 0.2797257), wk = 0.0020000 k( 190) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0020000 k( 191) = ( 0.1620370 0.0935521 0.2646054), wk = 0.0020000 k( 192) = ( 0.1574074 0.0908792 0.2570452), wk = 0.0020000 k( 193) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0020000 k( 194) = ( 0.1481482 0.0855334 0.2419249), wk = 0.0020000 k( 195) = ( 0.1435185 0.0828605 0.2343648), wk = 0.0020000 k( 196) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0020000 k( 197) = ( 0.1342593 0.0775146 0.2192445), wk = 0.0020000 k( 198) = ( 0.1296296 0.0748417 0.2116843), wk = 0.0020000 k( 199) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0020000 k( 200) = ( 0.1203704 0.0694959 0.1965640), wk = 0.0020000 k( 201) = ( 0.1157407 0.0668229 0.1890038), wk = 0.0020000 k( 202) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0020000 k( 203) = ( 0.1064815 0.0614771 0.1738835), wk = 0.0020000 k( 204) = ( 0.1018518 0.0588042 0.1663234), wk = 0.0020000 k( 205) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0020000 k( 206) = ( 0.0925926 0.0534584 0.1512031), wk = 0.0020000 k( 207) = ( 0.0879630 0.0507854 0.1436429), wk = 0.0020000 k( 208) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0020000 k( 209) = ( 0.0787037 0.0454396 0.1285226), wk = 0.0020000 k( 210) = ( 0.0740741 0.0427667 0.1209625), wk = 0.0020000 k( 211) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0020000 k( 212) = ( 0.0648148 0.0374208 0.1058422), wk = 0.0020000 k( 213) = ( 0.0601852 0.0347479 0.0982820), wk = 0.0020000 k( 214) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0020000 k( 215) = ( 0.0509259 0.0294021 0.0831617), wk = 0.0020000 k( 216) = ( 0.0462963 0.0267292 0.0756015), wk = 0.0020000 k( 217) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0020000 k( 218) = ( 0.0370370 0.0213833 0.0604812), wk = 0.0020000 k( 219) = ( 0.0324074 0.0187104 0.0529211), wk = 0.0020000 k( 220) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0020000 k( 221) = ( 0.0231481 0.0133646 0.0378008), wk = 0.0020000 k( 222) = ( 0.0185185 0.0106917 0.0302406), wk = 0.0020000 k( 223) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0020000 k( 224) = ( 0.0092593 0.0053458 0.0151203), wk = 0.0020000 k( 225) = ( 0.0046296 0.0026729 0.0075602), wk = 0.0020000 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 228) = ( 0.0075758 0.0043739 0.0030928), wk = 0.0020000 k( 229) = ( 0.0151515 0.0087477 0.0061856), wk = 0.0020000 k( 230) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0020000 k( 231) = ( 0.0303030 0.0174955 0.0123712), wk = 0.0020000 k( 232) = ( 0.0378788 0.0218693 0.0154640), wk = 0.0020000 k( 233) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0020000 k( 234) = ( 0.0530303 0.0306171 0.0216495), wk = 0.0020000 k( 235) = ( 0.0606061 0.0349909 0.0247423), wk = 0.0020000 k( 236) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0020000 k( 237) = ( 0.0757576 0.0437387 0.0309279), wk = 0.0020000 k( 238) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0020000 k( 239) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0020000 k( 240) = ( 0.0984848 0.0568603 0.0402063), wk = 0.0020000 k( 241) = ( 0.1060606 0.0612341 0.0432991), wk = 0.0020000 k( 242) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0020000 k( 243) = ( 0.1212121 0.0699819 0.0494846), wk = 0.0020000 k( 244) = ( 0.1287879 0.0743557 0.0525774), wk = 0.0020000 k( 245) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0020000 k( 246) = ( 0.1439394 0.0831034 0.0587630), wk = 0.0020000 k( 247) = ( 0.1515151 0.0874773 0.0618558), wk = 0.0020000 k( 248) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0020000 k( 249) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0020000 k( 250) = ( 0.1742424 0.1005989 0.0711342), wk = 0.0020000 k( 251) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0020000 k( 252) = ( 0.1893939 0.1093466 0.0773198), wk = 0.0020000 k( 253) = ( 0.1969697 0.1137205 0.0804125), wk = 0.0020000 k( 254) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0020000 k( 255) = ( 0.2121212 0.1224682 0.0865981), wk = 0.0020000 k( 256) = ( 0.2196970 0.1268421 0.0896909), wk = 0.0020000 k( 257) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0020000 k( 258) = ( 0.2348485 0.1355898 0.0958765), wk = 0.0020000 k( 259) = ( 0.2424242 0.1399637 0.0989693), wk = 0.0020000 k( 260) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0020000 k( 261) = ( 0.2575758 0.1487114 0.1051549), wk = 0.0020000 k( 262) = ( 0.2651515 0.1530853 0.1082477), wk = 0.0020000 k( 263) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0020000 k( 264) = ( 0.2803030 0.1618330 0.1144332), wk = 0.0020000 k( 265) = ( 0.2878788 0.1662069 0.1175260), wk = 0.0020000 k( 266) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0020000 k( 267) = ( 0.3030303 0.1749546 0.1237116), wk = 0.0020000 k( 268) = ( 0.3106061 0.1793285 0.1268044), wk = 0.0020000 k( 269) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0020000 k( 270) = ( 0.3257576 0.1880762 0.1329900), wk = 0.0020000 k( 271) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0020000 k( 272) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0020000 k( 273) = ( 0.3484849 0.2011978 0.1422683), wk = 0.0020000 k( 274) = ( 0.3560606 0.2055717 0.1453611), wk = 0.0020000 k( 275) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0020000 k( 276) = ( 0.3712121 0.2143194 0.1515467), wk = 0.0020000 k( 277) = ( 0.3787879 0.2186933 0.1546395), wk = 0.0020000 k( 278) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0020000 k( 279) = ( 0.3939394 0.2274410 0.1608251), wk = 0.0020000 k( 280) = ( 0.4015151 0.2318149 0.1639179), wk = 0.0020000 k( 281) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0020000 k( 282) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0020000 k( 283) = ( 0.4242424 0.2449365 0.1731962), wk = 0.0020000 k( 284) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0020000 k( 285) = ( 0.4393939 0.2536842 0.1793818), wk = 0.0020000 k( 286) = ( 0.4469697 0.2580581 0.1824746), wk = 0.0020000 k( 287) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0020000 k( 288) = ( 0.4621212 0.2668058 0.1886602), wk = 0.0020000 k( 289) = ( 0.4696970 0.2711797 0.1917530), wk = 0.0020000 k( 290) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0020000 k( 291) = ( 0.4848485 0.2799274 0.1979386), wk = 0.0020000 k( 292) = ( 0.4924242 0.2843013 0.2010314), wk = 0.0020000 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020000 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020000 k( 295) = ( 0.5026596 0.2809976 0.2084672), wk = 0.0020000 k( 296) = ( 0.5053192 0.2733201 0.2128103), wk = 0.0020000 k( 297) = ( 0.5079787 0.2656425 0.2171533), wk = 0.0020000 k( 298) = ( 0.5106383 0.2579650 0.2214964), wk = 0.0020000 k( 299) = ( 0.5132979 0.2502875 0.2258395), wk = 0.0020000 k( 300) = ( 0.5159575 0.2426100 0.2301825), wk = 0.0020000 k( 301) = ( 0.5186170 0.2349324 0.2345256), wk = 0.0020000 k( 302) = ( 0.5212766 0.2272549 0.2388687), wk = 0.0020000 k( 303) = ( 0.5239362 0.2195774 0.2432117), wk = 0.0020000 k( 304) = ( 0.5265957 0.2118998 0.2475548), wk = 0.0020000 k( 305) = ( 0.5292553 0.2042223 0.2518979), wk = 0.0020000 k( 306) = ( 0.5319149 0.1965448 0.2562409), wk = 0.0020000 k( 307) = ( 0.5345745 0.1888672 0.2605840), wk = 0.0020000 k( 308) = ( 0.5372340 0.1811897 0.2649271), wk = 0.0020000 k( 309) = ( 0.5398936 0.1735122 0.2692701), wk = 0.0020000 k( 310) = ( 0.5425532 0.1658347 0.2736132), wk = 0.0020000 k( 311) = ( 0.5452128 0.1581571 0.2779563), wk = 0.0020000 k( 312) = ( 0.5478723 0.1504796 0.2822993), wk = 0.0020000 k( 313) = ( 0.5505319 0.1428021 0.2866424), wk = 0.0020000 k( 314) = ( 0.5531915 0.1351245 0.2909855), wk = 0.0020000 k( 315) = ( 0.5558511 0.1274470 0.2953285), wk = 0.0020000 k( 316) = ( 0.5585106 0.1197695 0.2996716), wk = 0.0020000 k( 317) = ( 0.5611702 0.1120919 0.3040147), wk = 0.0020000 k( 318) = ( 0.5638298 0.1044144 0.3083578), wk = 0.0020000 k( 319) = ( 0.5664894 0.0967369 0.3127008), wk = 0.0020000 k( 320) = ( 0.5691489 0.0890594 0.3170439), wk = 0.0020000 k( 321) = ( 0.5718085 0.0813818 0.3213870), wk = 0.0020000 k( 322) = ( 0.5744681 0.0737043 0.3257300), wk = 0.0020000 k( 323) = ( 0.5771277 0.0660268 0.3300731), wk = 0.0020000 k( 324) = ( 0.5797872 0.0583492 0.3344162), wk = 0.0020000 k( 325) = ( 0.5824468 0.0506717 0.3387592), wk = 0.0020000 k( 326) = ( 0.5851064 0.0429942 0.3431023), wk = 0.0020000 k( 327) = ( 0.5877660 0.0353166 0.3474454), wk = 0.0020000 k( 328) = ( 0.5904255 0.0276391 0.3517884), wk = 0.0020000 k( 329) = ( 0.5930851 0.0199616 0.3561315), wk = 0.0020000 k( 330) = ( 0.5957447 0.0122841 0.3604746), wk = 0.0020000 k( 331) = ( 0.5984043 0.0046065 0.3648176), wk = 0.0020000 k( 332) = ( 0.6010638 -0.0030710 0.3691607), wk = 0.0020000 k( 333) = ( 0.6037234 -0.0107485 0.3735038), wk = 0.0020000 k( 334) = ( 0.6063830 -0.0184261 0.3778468), wk = 0.0020000 k( 335) = ( 0.6090425 -0.0261036 0.3821899), wk = 0.0020000 k( 336) = ( 0.6117021 -0.0337811 0.3865330), wk = 0.0020000 k( 337) = ( 0.6143617 -0.0414587 0.3908760), wk = 0.0020000 k( 338) = ( 0.6170213 -0.0491362 0.3952191), wk = 0.0020000 k( 339) = ( 0.6196808 -0.0568137 0.3995622), wk = 0.0020000 k( 340) = ( 0.6223404 -0.0644913 0.4039052), wk = 0.0020000 k( 341) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020000 k( 342) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020000 k( 343) = ( 0.6203704 -0.0694959 0.4158084), wk = 0.0020000 k( 344) = ( 0.6157407 -0.0668229 0.4233686), wk = 0.0020000 k( 345) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0020000 k( 346) = ( 0.6064815 -0.0614771 0.4384889), wk = 0.0020000 k( 347) = ( 0.6018518 -0.0588042 0.4460491), wk = 0.0020000 k( 348) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0020000 k( 349) = ( 0.5925926 -0.0534584 0.4611694), wk = 0.0020000 k( 350) = ( 0.5879630 -0.0507854 0.4687295), wk = 0.0020000 k( 351) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0020000 k( 352) = ( 0.5787037 -0.0454396 0.4838498), wk = 0.0020000 k( 353) = ( 0.5740741 -0.0427667 0.4914100), wk = 0.0020000 k( 354) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0020000 k( 355) = ( 0.5648148 -0.0374208 0.5065303), wk = 0.0020000 k( 356) = ( 0.5601852 -0.0347479 0.5140904), wk = 0.0020000 k( 357) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0020000 k( 358) = ( 0.5509259 -0.0294021 0.5292107), wk = 0.0020000 k( 359) = ( 0.5462963 -0.0267292 0.5367709), wk = 0.0020000 k( 360) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0020000 k( 361) = ( 0.5370370 -0.0213833 0.5518912), wk = 0.0020000 k( 362) = ( 0.5324074 -0.0187104 0.5594514), wk = 0.0020000 k( 363) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0020000 k( 364) = ( 0.5231482 -0.0133646 0.5745717), wk = 0.0020000 k( 365) = ( 0.5185185 -0.0106917 0.5821318), wk = 0.0020000 k( 366) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0020000 k( 367) = ( 0.5092593 -0.0053458 0.5972521), wk = 0.0020000 k( 368) = ( 0.5046296 -0.0026729 0.6048123), wk = 0.0020000 k( 369) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020000 k( 370) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020000 k( 371) = ( 0.5000000 0.0053458 0.6048123), wk = 0.0020000 k( 372) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0020000 k( 373) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0020000 k( 374) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0020000 k( 375) = ( 0.5000000 0.0267292 0.5745717), wk = 0.0020000 k( 376) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0020000 k( 377) = ( 0.5000000 0.0374209 0.5594514), wk = 0.0020000 k( 378) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0020000 k( 379) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0020000 k( 380) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0020000 k( 381) = ( 0.5000000 0.0588042 0.5292107), wk = 0.0020000 k( 382) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0020000 k( 383) = ( 0.5000000 0.0694959 0.5140904), wk = 0.0020000 k( 384) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0020000 k( 385) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0020000 k( 386) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0020000 k( 387) = ( 0.5000000 0.0908792 0.4838498), wk = 0.0020000 k( 388) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0020000 k( 389) = ( 0.5000000 0.1015709 0.4687295), wk = 0.0020000 k( 390) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0020000 k( 391) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0020000 k( 392) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0020000 k( 393) = ( 0.5000000 0.1229542 0.4384889), wk = 0.0020000 k( 394) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0020000 k( 395) = ( 0.5000000 0.1336459 0.4233686), wk = 0.0020000 k( 396) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0020000 k( 397) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0020000 k( 398) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0020000 k( 399) = ( 0.5000000 0.1550292 0.3931280), wk = 0.0020000 k( 400) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0020000 k( 401) = ( 0.5000000 0.1657209 0.3780077), wk = 0.0020000 k( 402) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0020000 k( 403) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0020000 k( 404) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0020000 k( 405) = ( 0.5000000 0.1871043 0.3477671), wk = 0.0020000 k( 406) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0020000 k( 407) = ( 0.5000000 0.1977959 0.3326467), wk = 0.0020000 k( 408) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0020000 k( 409) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0020000 k( 410) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0020000 k( 411) = ( 0.5000000 0.2191793 0.3024061), wk = 0.0020000 k( 412) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0020000 k( 413) = ( 0.5000000 0.2298709 0.2872858), wk = 0.0020000 k( 414) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0020000 k( 415) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0020000 k( 416) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0020000 k( 417) = ( 0.5000000 0.2512543 0.2570452), wk = 0.0020000 k( 418) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0020000 k( 419) = ( 0.5000000 0.2619460 0.2419249), wk = 0.0020000 k( 420) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0020000 k( 421) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0020000 k( 422) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0020000 k( 423) = ( 0.5000000 0.2833293 0.2116843), wk = 0.0020000 k( 424) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020000 k( 425) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020000 k( 426) = ( 0.4973404 0.2871396 0.2128103), wk = 0.0020000 k( 427) = ( 0.4946809 0.2856041 0.2214964), wk = 0.0020000 k( 428) = ( 0.4920213 0.2840686 0.2301825), wk = 0.0020000 k( 429) = ( 0.4893617 0.2825331 0.2388687), wk = 0.0020000 k( 430) = ( 0.4867021 0.2809976 0.2475548), wk = 0.0020000 k( 431) = ( 0.4840426 0.2794621 0.2562409), wk = 0.0020000 k( 432) = ( 0.4813830 0.2779266 0.2649271), wk = 0.0020000 k( 433) = ( 0.4787234 0.2763911 0.2736132), wk = 0.0020000 k( 434) = ( 0.4760638 0.2748556 0.2822993), wk = 0.0020000 k( 435) = ( 0.4734043 0.2733201 0.2909855), wk = 0.0020000 k( 436) = ( 0.4707447 0.2717846 0.2996716), wk = 0.0020000 k( 437) = ( 0.4680851 0.2702491 0.3083578), wk = 0.0020000 k( 438) = ( 0.4654255 0.2687136 0.3170439), wk = 0.0020000 k( 439) = ( 0.4627660 0.2671781 0.3257300), wk = 0.0020000 k( 440) = ( 0.4601064 0.2656425 0.3344162), wk = 0.0020000 k( 441) = ( 0.4574468 0.2641070 0.3431023), wk = 0.0020000 k( 442) = ( 0.4547872 0.2625715 0.3517884), wk = 0.0020000 k( 443) = ( 0.4521277 0.2610360 0.3604746), wk = 0.0020000 k( 444) = ( 0.4494681 0.2595005 0.3691607), wk = 0.0020000 k( 445) = ( 0.4468085 0.2579650 0.3778468), wk = 0.0020000 k( 446) = ( 0.4441489 0.2564295 0.3865330), wk = 0.0020000 k( 447) = ( 0.4414894 0.2548940 0.3952191), wk = 0.0020000 k( 448) = ( 0.4388298 0.2533585 0.4039052), wk = 0.0020000 k( 449) = ( 0.4361702 0.2518230 0.4125914), wk = 0.0020000 k( 450) = ( 0.4335106 0.2502875 0.4212775), wk = 0.0020000 k( 451) = ( 0.4308511 0.2487520 0.4299636), wk = 0.0020000 k( 452) = ( 0.4281915 0.2472165 0.4386498), wk = 0.0020000 k( 453) = ( 0.4255319 0.2456810 0.4473359), wk = 0.0020000 k( 454) = ( 0.4228723 0.2441455 0.4560220), wk = 0.0020000 k( 455) = ( 0.4202128 0.2426100 0.4647082), wk = 0.0020000 k( 456) = ( 0.4175532 0.2410744 0.4733943), wk = 0.0020000 k( 457) = ( 0.4148936 0.2395389 0.4820804), wk = 0.0020000 k( 458) = ( 0.4122340 0.2380034 0.4907666), wk = 0.0020000 k( 459) = ( 0.4095745 0.2364679 0.4994527), wk = 0.0020000 k( 460) = ( 0.4069149 0.2349324 0.5081388), wk = 0.0020000 k( 461) = ( 0.4042553 0.2333969 0.5168250), wk = 0.0020000 k( 462) = ( 0.4015957 0.2318614 0.5255111), wk = 0.0020000 k( 463) = ( 0.3989362 0.2303259 0.5341972), wk = 0.0020000 k( 464) = ( 0.3962766 0.2287904 0.5428834), wk = 0.0020000 k( 465) = ( 0.3936170 0.2272549 0.5515695), wk = 0.0020000 k( 466) = ( 0.3909574 0.2257194 0.5602556), wk = 0.0020000 k( 467) = ( 0.3882979 0.2241839 0.5689418), wk = 0.0020000 k( 468) = ( 0.3856383 0.2226484 0.5776279), wk = 0.0020000 k( 469) = ( 0.3829787 0.2211129 0.5863140), wk = 0.0020000 k( 470) = ( 0.3803191 0.2195774 0.5950002), wk = 0.0020000 k( 471) = ( 0.3776596 0.2180419 0.6036863), wk = 0.0020000 k( 472) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020000 k( 473) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020000 k( 474) = ( 0.6203704 -0.0801875 0.4082483), wk = 0.0020000 k( 475) = ( 0.6157407 -0.0882063 0.4082483), wk = 0.0020000 k( 476) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0020000 k( 477) = ( 0.6064815 -0.1042438 0.4082483), wk = 0.0020000 k( 478) = ( 0.6018518 -0.1122626 0.4082483), wk = 0.0020000 k( 479) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0020000 k( 480) = ( 0.5925926 -0.1283001 0.4082483), wk = 0.0020000 k( 481) = ( 0.5879630 -0.1363188 0.4082483), wk = 0.0020000 k( 482) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0020000 k( 483) = ( 0.5787037 -0.1523563 0.4082483), wk = 0.0020000 k( 484) = ( 0.5740741 -0.1603751 0.4082483), wk = 0.0020000 k( 485) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0020000 k( 486) = ( 0.5648148 -0.1764126 0.4082483), wk = 0.0020000 k( 487) = ( 0.5601852 -0.1844313 0.4082483), wk = 0.0020000 k( 488) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0020000 k( 489) = ( 0.5509259 -0.2004688 0.4082483), wk = 0.0020000 k( 490) = ( 0.5462963 -0.2084876 0.4082483), wk = 0.0020000 k( 491) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0020000 k( 492) = ( 0.5370370 -0.2245251 0.4082483), wk = 0.0020000 k( 493) = ( 0.5324074 -0.2325439 0.4082483), wk = 0.0020000 k( 494) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0020000 k( 495) = ( 0.5231482 -0.2485814 0.4082483), wk = 0.0020000 k( 496) = ( 0.5185185 -0.2566001 0.4082483), wk = 0.0020000 k( 497) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0020000 k( 498) = ( 0.5092593 -0.2726376 0.4082483), wk = 0.0020000 k( 499) = ( 0.5046296 -0.2806564 0.4082483), wk = 0.0020000 k( 500) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 2) = ( 0.0065790 0.0000000 0.0065790), wk = 0.0020000 k( 3) = ( 0.0131579 -0.0000000 0.0131579), wk = 0.0020000 k( 4) = ( 0.0197368 -0.0000000 0.0197368), wk = 0.0020000 k( 5) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0020000 k( 6) = ( 0.0328947 -0.0000000 0.0328947), wk = 0.0020000 k( 7) = ( 0.0394737 -0.0000000 0.0394737), wk = 0.0020000 k( 8) = ( 0.0460526 -0.0000000 0.0460526), wk = 0.0020000 k( 9) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0020000 k( 10) = ( 0.0592105 0.0000000 0.0592105), wk = 0.0020000 k( 11) = ( 0.0657895 -0.0000000 0.0657895), wk = 0.0020000 k( 12) = ( 0.0723684 0.0000000 0.0723684), wk = 0.0020000 k( 13) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0020000 k( 14) = ( 0.0855263 0.0000000 0.0855263), wk = 0.0020000 k( 15) = ( 0.0921053 -0.0000000 0.0921053), wk = 0.0020000 k( 16) = ( 0.0986842 -0.0000000 0.0986842), wk = 0.0020000 k( 17) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0020000 k( 18) = ( 0.1118421 0.0000000 0.1118421), wk = 0.0020000 k( 19) = ( 0.1184210 0.0000000 0.1184210), wk = 0.0020000 k( 20) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0020000 k( 21) = ( 0.1315790 -0.0000000 0.1315790), wk = 0.0020000 k( 22) = ( 0.1381579 -0.0000000 0.1381579), wk = 0.0020000 k( 23) = ( 0.1447368 0.0000000 0.1447368), wk = 0.0020000 k( 24) = ( 0.1513158 0.0000000 0.1513158), wk = 0.0020000 k( 25) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0020000 k( 26) = ( 0.1644737 0.0000000 0.1644737), wk = 0.0020000 k( 27) = ( 0.1710526 0.0000000 0.1710526), wk = 0.0020000 k( 28) = ( 0.1776316 -0.0000000 0.1776316), wk = 0.0020000 k( 29) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0020000 k( 30) = ( 0.1907895 0.0000000 0.1907895), wk = 0.0020000 k( 31) = ( 0.1973684 -0.0000000 0.1973684), wk = 0.0020000 k( 32) = ( 0.2039474 -0.0000000 0.2039474), wk = 0.0020000 k( 33) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0020000 k( 34) = ( 0.2171053 0.0000000 0.2171053), wk = 0.0020000 k( 35) = ( 0.2236842 -0.0000000 0.2236842), wk = 0.0020000 k( 36) = ( 0.2302632 -0.0000000 0.2302632), wk = 0.0020000 k( 37) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0020000 k( 38) = ( 0.2434210 0.0000000 0.2434210), wk = 0.0020000 k( 39) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020000 k( 40) = ( 0.2565789 0.0000000 0.2565789), wk = 0.0020000 k( 41) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0020000 k( 42) = ( 0.2697368 -0.0000000 0.2697368), wk = 0.0020000 k( 43) = ( 0.2763158 0.0000000 0.2763158), wk = 0.0020000 k( 44) = ( 0.2828947 0.0000000 0.2828947), wk = 0.0020000 k( 45) = ( 0.2894737 0.0000000 0.2894737), wk = 0.0020000 k( 46) = ( 0.2960526 -0.0000000 0.2960526), wk = 0.0020000 k( 47) = ( 0.3026316 0.0000000 0.3026316), wk = 0.0020000 k( 48) = ( 0.3092105 0.0000000 0.3092105), wk = 0.0020000 k( 49) = ( 0.3157895 0.0000000 0.3157895), wk = 0.0020000 k( 50) = ( 0.3223684 -0.0000000 0.3223684), wk = 0.0020000 k( 51) = ( 0.3289474 0.0000000 0.3289474), wk = 0.0020000 k( 52) = ( 0.3355263 0.0000000 0.3355263), wk = 0.0020000 k( 53) = ( 0.3421053 0.0000000 0.3421053), wk = 0.0020000 k( 54) = ( 0.3486842 -0.0000000 0.3486842), wk = 0.0020000 k( 55) = ( 0.3552632 -0.0000000 0.3552632), wk = 0.0020000 k( 56) = ( 0.3618421 0.0000000 0.3618421), wk = 0.0020000 k( 57) = ( 0.3684211 0.0000000 0.3684211), wk = 0.0020000 k( 58) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0020000 k( 59) = ( 0.3815789 -0.0000000 0.3815789), wk = 0.0020000 k( 60) = ( 0.3881579 -0.0000000 0.3881579), wk = 0.0020000 k( 61) = ( 0.3947368 -0.0000000 0.3947368), wk = 0.0020000 k( 62) = ( 0.4013158 0.0000000 0.4013158), wk = 0.0020000 k( 63) = ( 0.4078947 -0.0000000 0.4078947), wk = 0.0020000 k( 64) = ( 0.4144737 -0.0000000 0.4144737), wk = 0.0020000 k( 65) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0020000 k( 66) = ( 0.4276316 0.0000000 0.4276316), wk = 0.0020000 k( 67) = ( 0.4342105 0.0000000 0.4342105), wk = 0.0020000 k( 68) = ( 0.4407895 0.0000000 0.4407895), wk = 0.0020000 k( 69) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0020000 k( 70) = ( 0.4539474 0.0000000 0.4539474), wk = 0.0020000 k( 71) = ( 0.4605263 -0.0000000 0.4605263), wk = 0.0020000 k( 72) = ( 0.4671053 -0.0000000 0.4671053), wk = 0.0020000 k( 73) = ( 0.4736842 -0.0000000 0.4736842), wk = 0.0020000 k( 74) = ( 0.4802632 -0.0000000 0.4802632), wk = 0.0020000 k( 75) = ( 0.4868421 0.0000000 0.4868421), wk = 0.0020000 k( 76) = ( 0.4934211 0.0000000 0.4934211), wk = 0.0020000 k( 77) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 78) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 79) = ( 0.5000000 0.0065790 0.5065789), wk = 0.0020000 k( 80) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0020000 k( 81) = ( 0.5000000 0.0197368 0.5197368), wk = 0.0020000 k( 82) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0020000 k( 83) = ( 0.5000000 0.0328947 0.5328947), wk = 0.0020000 k( 84) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0020000 k( 85) = ( 0.5000000 0.0460526 0.5460526), wk = 0.0020000 k( 86) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0020000 k( 87) = ( 0.5000000 0.0592105 0.5592105), wk = 0.0020000 k( 88) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0020000 k( 89) = ( 0.5000000 0.0723684 0.5723684), wk = 0.0020000 k( 90) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0020000 k( 91) = ( 0.5000000 0.0855263 0.5855263), wk = 0.0020000 k( 92) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0020000 k( 93) = ( 0.5000000 0.0986842 0.5986842), wk = 0.0020000 k( 94) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0020000 k( 95) = ( 0.5000000 0.1118421 0.6118421), wk = 0.0020000 k( 96) = ( 0.5000000 0.1184210 0.6184211), wk = 0.0020000 k( 97) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0020000 k( 98) = ( 0.5000000 0.1315790 0.6315789), wk = 0.0020000 k( 99) = ( 0.5000000 0.1381579 0.6381579), wk = 0.0020000 k( 100) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0020000 k( 101) = ( 0.5000000 0.1513158 0.6513158), wk = 0.0020000 k( 102) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0020000 k( 103) = ( 0.5000000 0.1644737 0.6644737), wk = 0.0020000 k( 104) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0020000 k( 105) = ( 0.5000000 0.1776316 0.6776316), wk = 0.0020000 k( 106) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0020000 k( 107) = ( 0.5000000 0.1907895 0.6907895), wk = 0.0020000 k( 108) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0020000 k( 109) = ( 0.5000000 0.2039474 0.7039474), wk = 0.0020000 k( 110) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0020000 k( 111) = ( 0.5000000 0.2171053 0.7171053), wk = 0.0020000 k( 112) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0020000 k( 113) = ( 0.5000000 0.2302632 0.7302632), wk = 0.0020000 k( 114) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0020000 k( 115) = ( 0.5000000 0.2434210 0.7434211), wk = 0.0020000 k( 116) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020000 k( 117) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020000 k( 118) = ( 0.4953704 0.2546296 0.7500000), wk = 0.0020000 k( 119) = ( 0.4907407 0.2592593 0.7500000), wk = 0.0020000 k( 120) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0020000 k( 121) = ( 0.4814815 0.2685185 0.7500000), wk = 0.0020000 k( 122) = ( 0.4768519 0.2731481 0.7500000), wk = 0.0020000 k( 123) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0020000 k( 124) = ( 0.4675926 0.2824074 0.7500000), wk = 0.0020000 k( 125) = ( 0.4629630 0.2870370 0.7500000), wk = 0.0020000 k( 126) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0020000 k( 127) = ( 0.4537037 0.2962963 0.7500000), wk = 0.0020000 k( 128) = ( 0.4490741 0.3009259 0.7500000), wk = 0.0020000 k( 129) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0020000 k( 130) = ( 0.4398148 0.3101852 0.7500000), wk = 0.0020000 k( 131) = ( 0.4351852 0.3148148 0.7500000), wk = 0.0020000 k( 132) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0020000 k( 133) = ( 0.4259259 0.3240741 0.7500000), wk = 0.0020000 k( 134) = ( 0.4212963 0.3287037 0.7500000), wk = 0.0020000 k( 135) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0020000 k( 136) = ( 0.4120370 0.3379630 0.7500000), wk = 0.0020000 k( 137) = ( 0.4074074 0.3425926 0.7500000), wk = 0.0020000 k( 138) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0020000 k( 139) = ( 0.3981481 0.3518519 0.7500000), wk = 0.0020000 k( 140) = ( 0.3935185 0.3564815 0.7500000), wk = 0.0020000 k( 141) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0020000 k( 142) = ( 0.3842593 0.3657407 0.7500000), wk = 0.0020000 k( 143) = ( 0.3796296 0.3703704 0.7500000), wk = 0.0020000 k( 144) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020000 k( 145) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020000 k( 146) = ( 0.3703704 0.3703704 0.7407407), wk = 0.0020000 k( 147) = ( 0.3657407 0.3657407 0.7314815), wk = 0.0020000 k( 148) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0020000 k( 149) = ( 0.3564815 0.3564815 0.7129630), wk = 0.0020000 k( 150) = ( 0.3518519 0.3518519 0.7037037), wk = 0.0020000 k( 151) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0020000 k( 152) = ( 0.3425926 0.3425926 0.6851852), wk = 0.0020000 k( 153) = ( 0.3379630 0.3379630 0.6759259), wk = 0.0020000 k( 154) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0020000 k( 155) = ( 0.3287037 0.3287037 0.6574074), wk = 0.0020000 k( 156) = ( 0.3240741 0.3240741 0.6481482), wk = 0.0020000 k( 157) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0020000 k( 158) = ( 0.3148148 0.3148148 0.6296296), wk = 0.0020000 k( 159) = ( 0.3101852 0.3101852 0.6203704), wk = 0.0020000 k( 160) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0020000 k( 161) = ( 0.3009259 0.3009259 0.6018518), wk = 0.0020000 k( 162) = ( 0.2962963 0.2962963 0.5925926), wk = 0.0020000 k( 163) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0020000 k( 164) = ( 0.2870370 0.2870370 0.5740741), wk = 0.0020000 k( 165) = ( 0.2824074 0.2824074 0.5648148), wk = 0.0020000 k( 166) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0020000 k( 167) = ( 0.2731481 0.2731481 0.5462963), wk = 0.0020000 k( 168) = ( 0.2685185 0.2685185 0.5370370), wk = 0.0020000 k( 169) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0020000 k( 170) = ( 0.2592593 0.2592593 0.5185185), wk = 0.0020000 k( 171) = ( 0.2546296 0.2546296 0.5092593), wk = 0.0020000 k( 172) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020000 k( 173) = ( 0.2453704 0.2453704 0.4907407), wk = 0.0020000 k( 174) = ( 0.2407407 0.2407407 0.4814815), wk = 0.0020000 k( 175) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0020000 k( 176) = ( 0.2314815 0.2314815 0.4629630), wk = 0.0020000 k( 177) = ( 0.2268518 0.2268518 0.4537037), wk = 0.0020000 k( 178) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0020000 k( 179) = ( 0.2175926 0.2175926 0.4351852), wk = 0.0020000 k( 180) = ( 0.2129630 0.2129630 0.4259259), wk = 0.0020000 k( 181) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0020000 k( 182) = ( 0.2037037 0.2037037 0.4074074), wk = 0.0020000 k( 183) = ( 0.1990741 0.1990741 0.3981481), wk = 0.0020000 k( 184) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0020000 k( 185) = ( 0.1898148 0.1898148 0.3796296), wk = 0.0020000 k( 186) = ( 0.1851852 0.1851852 0.3703704), wk = 0.0020000 k( 187) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0020000 k( 188) = ( 0.1759259 0.1759259 0.3518519), wk = 0.0020000 k( 189) = ( 0.1712963 0.1712963 0.3425926), wk = 0.0020000 k( 190) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0020000 k( 191) = ( 0.1620370 0.1620370 0.3240741), wk = 0.0020000 k( 192) = ( 0.1574074 0.1574074 0.3148148), wk = 0.0020000 k( 193) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0020000 k( 194) = ( 0.1481482 0.1481482 0.2962963), wk = 0.0020000 k( 195) = ( 0.1435185 0.1435185 0.2870370), wk = 0.0020000 k( 196) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0020000 k( 197) = ( 0.1342593 0.1342593 0.2685185), wk = 0.0020000 k( 198) = ( 0.1296296 0.1296296 0.2592593), wk = 0.0020000 k( 199) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0020000 k( 200) = ( 0.1203704 0.1203704 0.2407407), wk = 0.0020000 k( 201) = ( 0.1157407 0.1157407 0.2314815), wk = 0.0020000 k( 202) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0020000 k( 203) = ( 0.1064815 0.1064815 0.2129630), wk = 0.0020000 k( 204) = ( 0.1018518 0.1018518 0.2037037), wk = 0.0020000 k( 205) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0020000 k( 206) = ( 0.0925926 0.0925926 0.1851852), wk = 0.0020000 k( 207) = ( 0.0879630 0.0879630 0.1759259), wk = 0.0020000 k( 208) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0020000 k( 209) = ( 0.0787037 0.0787037 0.1574074), wk = 0.0020000 k( 210) = ( 0.0740741 0.0740741 0.1481482), wk = 0.0020000 k( 211) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0020000 k( 212) = ( 0.0648148 0.0648148 0.1296296), wk = 0.0020000 k( 213) = ( 0.0601852 0.0601852 0.1203704), wk = 0.0020000 k( 214) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0020000 k( 215) = ( 0.0509259 0.0509259 0.1018519), wk = 0.0020000 k( 216) = ( 0.0462963 0.0462963 0.0925926), wk = 0.0020000 k( 217) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0020000 k( 218) = ( 0.0370370 0.0370370 0.0740741), wk = 0.0020000 k( 219) = ( 0.0324074 0.0324074 0.0648148), wk = 0.0020000 k( 220) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0020000 k( 221) = ( 0.0231481 0.0231481 0.0462963), wk = 0.0020000 k( 222) = ( 0.0185185 0.0185185 0.0370370), wk = 0.0020000 k( 223) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0020000 k( 224) = ( 0.0092593 0.0092593 0.0185185), wk = 0.0020000 k( 225) = ( 0.0046296 0.0046296 0.0092593), wk = 0.0020000 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 228) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0020000 k( 229) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0020000 k( 230) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0020000 k( 231) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0020000 k( 232) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0020000 k( 233) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0020000 k( 234) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0020000 k( 235) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0020000 k( 236) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0020000 k( 237) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0020000 k( 238) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0020000 k( 239) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0020000 k( 240) = ( 0.0984848 0.0984849 0.0984848), wk = 0.0020000 k( 241) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0020000 k( 242) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0020000 k( 243) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0020000 k( 244) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0020000 k( 245) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0020000 k( 246) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0020000 k( 247) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0020000 k( 248) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0020000 k( 249) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0020000 k( 250) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0020000 k( 251) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0020000 k( 252) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0020000 k( 253) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0020000 k( 254) = ( 0.2045454 0.2045455 0.2045454), wk = 0.0020000 k( 255) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0020000 k( 256) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0020000 k( 257) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0020000 k( 258) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0020000 k( 259) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0020000 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020000 k( 261) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0020000 k( 262) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0020000 k( 263) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0020000 k( 264) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0020000 k( 265) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0020000 k( 266) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0020000 k( 267) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0020000 k( 268) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0020000 k( 269) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0020000 k( 270) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0020000 k( 271) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020000 k( 272) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0020000 k( 273) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0020000 k( 274) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0020000 k( 275) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0020000 k( 276) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0020000 k( 277) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0020000 k( 278) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0020000 k( 279) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0020000 k( 280) = ( 0.4015151 0.4015152 0.4015151), wk = 0.0020000 k( 281) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0020000 k( 282) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0020000 k( 283) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0020000 k( 284) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0020000 k( 285) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0020000 k( 286) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0020000 k( 287) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0020000 k( 288) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0020000 k( 289) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0020000 k( 290) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0020000 k( 291) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0020000 k( 292) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0020000 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 295) = ( 0.5026596 0.4946809 0.5026596), wk = 0.0020000 k( 296) = ( 0.5053192 0.4893617 0.5053192), wk = 0.0020000 k( 297) = ( 0.5079787 0.4840426 0.5079787), wk = 0.0020000 k( 298) = ( 0.5106383 0.4787234 0.5106383), wk = 0.0020000 k( 299) = ( 0.5132979 0.4734043 0.5132979), wk = 0.0020000 k( 300) = ( 0.5159575 0.4680851 0.5159575), wk = 0.0020000 k( 301) = ( 0.5186170 0.4627660 0.5186170), wk = 0.0020000 k( 302) = ( 0.5212766 0.4574468 0.5212766), wk = 0.0020000 k( 303) = ( 0.5239362 0.4521277 0.5239362), wk = 0.0020000 k( 304) = ( 0.5265957 0.4468085 0.5265957), wk = 0.0020000 k( 305) = ( 0.5292553 0.4414894 0.5292553), wk = 0.0020000 k( 306) = ( 0.5319149 0.4361702 0.5319149), wk = 0.0020000 k( 307) = ( 0.5345745 0.4308511 0.5345745), wk = 0.0020000 k( 308) = ( 0.5372340 0.4255319 0.5372340), wk = 0.0020000 k( 309) = ( 0.5398936 0.4202128 0.5398936), wk = 0.0020000 k( 310) = ( 0.5425532 0.4148936 0.5425532), wk = 0.0020000 k( 311) = ( 0.5452128 0.4095745 0.5452128), wk = 0.0020000 k( 312) = ( 0.5478723 0.4042553 0.5478723), wk = 0.0020000 k( 313) = ( 0.5505319 0.3989362 0.5505319), wk = 0.0020000 k( 314) = ( 0.5531915 0.3936170 0.5531915), wk = 0.0020000 k( 315) = ( 0.5558511 0.3882979 0.5558511), wk = 0.0020000 k( 316) = ( 0.5585106 0.3829787 0.5585106), wk = 0.0020000 k( 317) = ( 0.5611702 0.3776596 0.5611702), wk = 0.0020000 k( 318) = ( 0.5638298 0.3723404 0.5638298), wk = 0.0020000 k( 319) = ( 0.5664894 0.3670213 0.5664894), wk = 0.0020000 k( 320) = ( 0.5691489 0.3617021 0.5691489), wk = 0.0020000 k( 321) = ( 0.5718085 0.3563830 0.5718085), wk = 0.0020000 k( 322) = ( 0.5744681 0.3510638 0.5744681), wk = 0.0020000 k( 323) = ( 0.5771277 0.3457447 0.5771277), wk = 0.0020000 k( 324) = ( 0.5797872 0.3404255 0.5797872), wk = 0.0020000 k( 325) = ( 0.5824468 0.3351064 0.5824468), wk = 0.0020000 k( 326) = ( 0.5851064 0.3297872 0.5851064), wk = 0.0020000 k( 327) = ( 0.5877660 0.3244681 0.5877660), wk = 0.0020000 k( 328) = ( 0.5904255 0.3191489 0.5904255), wk = 0.0020000 k( 329) = ( 0.5930851 0.3138298 0.5930851), wk = 0.0020000 k( 330) = ( 0.5957447 0.3085106 0.5957447), wk = 0.0020000 k( 331) = ( 0.5984043 0.3031915 0.5984043), wk = 0.0020000 k( 332) = ( 0.6010638 0.2978723 0.6010638), wk = 0.0020000 k( 333) = ( 0.6037234 0.2925532 0.6037234), wk = 0.0020000 k( 334) = ( 0.6063830 0.2872340 0.6063830), wk = 0.0020000 k( 335) = ( 0.6090425 0.2819149 0.6090425), wk = 0.0020000 k( 336) = ( 0.6117021 0.2765957 0.6117021), wk = 0.0020000 k( 337) = ( 0.6143617 0.2712766 0.6143617), wk = 0.0020000 k( 338) = ( 0.6170213 0.2659574 0.6170213), wk = 0.0020000 k( 339) = ( 0.6196808 0.2606383 0.6196808), wk = 0.0020000 k( 340) = ( 0.6223404 0.2553191 0.6223404), wk = 0.0020000 k( 341) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020000 k( 342) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020000 k( 343) = ( 0.6203704 0.2500000 0.6296296), wk = 0.0020000 k( 344) = ( 0.6157407 0.2500000 0.6342593), wk = 0.0020000 k( 345) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0020000 k( 346) = ( 0.6064815 0.2500000 0.6435185), wk = 0.0020000 k( 347) = ( 0.6018518 0.2500000 0.6481482), wk = 0.0020000 k( 348) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0020000 k( 349) = ( 0.5925926 0.2500000 0.6574074), wk = 0.0020000 k( 350) = ( 0.5879630 0.2500000 0.6620370), wk = 0.0020000 k( 351) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0020000 k( 352) = ( 0.5787037 0.2500000 0.6712963), wk = 0.0020000 k( 353) = ( 0.5740741 0.2500000 0.6759259), wk = 0.0020000 k( 354) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0020000 k( 355) = ( 0.5648148 0.2500000 0.6851852), wk = 0.0020000 k( 356) = ( 0.5601852 0.2500000 0.6898148), wk = 0.0020000 k( 357) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0020000 k( 358) = ( 0.5509259 0.2500000 0.6990741), wk = 0.0020000 k( 359) = ( 0.5462963 0.2500000 0.7037037), wk = 0.0020000 k( 360) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0020000 k( 361) = ( 0.5370370 0.2500000 0.7129630), wk = 0.0020000 k( 362) = ( 0.5324074 0.2500000 0.7175926), wk = 0.0020000 k( 363) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0020000 k( 364) = ( 0.5231482 0.2500000 0.7268519), wk = 0.0020000 k( 365) = ( 0.5185185 0.2500000 0.7314815), wk = 0.0020000 k( 366) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0020000 k( 367) = ( 0.5092593 0.2500000 0.7407407), wk = 0.0020000 k( 368) = ( 0.5046296 0.2500000 0.7453704), wk = 0.0020000 k( 369) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020000 k( 370) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020000 k( 371) = ( 0.5000000 0.2546296 0.7453704), wk = 0.0020000 k( 372) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0020000 k( 373) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0020000 k( 374) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0020000 k( 375) = ( 0.5000000 0.2731481 0.7268518), wk = 0.0020000 k( 376) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0020000 k( 377) = ( 0.5000000 0.2824074 0.7175926), wk = 0.0020000 k( 378) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0020000 k( 379) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0020000 k( 380) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0020000 k( 381) = ( 0.5000000 0.3009259 0.6990741), wk = 0.0020000 k( 382) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0020000 k( 383) = ( 0.5000000 0.3101852 0.6898148), wk = 0.0020000 k( 384) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0020000 k( 385) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0020000 k( 386) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0020000 k( 387) = ( 0.5000000 0.3287037 0.6712963), wk = 0.0020000 k( 388) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0020000 k( 389) = ( 0.5000000 0.3379630 0.6620370), wk = 0.0020000 k( 390) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0020000 k( 391) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0020000 k( 392) = ( 0.5000000 0.3518519 0.6481482), wk = 0.0020000 k( 393) = ( 0.5000000 0.3564815 0.6435185), wk = 0.0020000 k( 394) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0020000 k( 395) = ( 0.5000000 0.3657407 0.6342593), wk = 0.0020000 k( 396) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0020000 k( 397) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0020000 k( 398) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0020000 k( 399) = ( 0.5000000 0.3842593 0.6157407), wk = 0.0020000 k( 400) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0020000 k( 401) = ( 0.5000000 0.3935185 0.6064815), wk = 0.0020000 k( 402) = ( 0.5000000 0.3981482 0.6018518), wk = 0.0020000 k( 403) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0020000 k( 404) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0020000 k( 405) = ( 0.5000000 0.4120370 0.5879630), wk = 0.0020000 k( 406) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0020000 k( 407) = ( 0.5000000 0.4212963 0.5787037), wk = 0.0020000 k( 408) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0020000 k( 409) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0020000 k( 410) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0020000 k( 411) = ( 0.5000000 0.4398148 0.5601852), wk = 0.0020000 k( 412) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0020000 k( 413) = ( 0.5000000 0.4490741 0.5509259), wk = 0.0020000 k( 414) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0020000 k( 415) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0020000 k( 416) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0020000 k( 417) = ( 0.5000000 0.4675926 0.5324074), wk = 0.0020000 k( 418) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0020000 k( 419) = ( 0.5000000 0.4768518 0.5231482), wk = 0.0020000 k( 420) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0020000 k( 421) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0020000 k( 422) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0020000 k( 423) = ( 0.5000000 0.4953704 0.5046296), wk = 0.0020000 k( 424) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 425) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 426) = ( 0.4973404 0.4973404 0.5053192), wk = 0.0020000 k( 427) = ( 0.4946809 0.4946809 0.5106383), wk = 0.0020000 k( 428) = ( 0.4920213 0.4920213 0.5159575), wk = 0.0020000 k( 429) = ( 0.4893617 0.4893617 0.5212766), wk = 0.0020000 k( 430) = ( 0.4867021 0.4867021 0.5265957), wk = 0.0020000 k( 431) = ( 0.4840426 0.4840426 0.5319149), wk = 0.0020000 k( 432) = ( 0.4813830 0.4813830 0.5372340), wk = 0.0020000 k( 433) = ( 0.4787234 0.4787234 0.5425532), wk = 0.0020000 k( 434) = ( 0.4760638 0.4760638 0.5478723), wk = 0.0020000 k( 435) = ( 0.4734043 0.4734043 0.5531915), wk = 0.0020000 k( 436) = ( 0.4707447 0.4707447 0.5585106), wk = 0.0020000 k( 437) = ( 0.4680851 0.4680851 0.5638298), wk = 0.0020000 k( 438) = ( 0.4654255 0.4654255 0.5691489), wk = 0.0020000 k( 439) = ( 0.4627660 0.4627660 0.5744681), wk = 0.0020000 k( 440) = ( 0.4601064 0.4601064 0.5797872), wk = 0.0020000 k( 441) = ( 0.4574468 0.4574468 0.5851064), wk = 0.0020000 k( 442) = ( 0.4547872 0.4547872 0.5904255), wk = 0.0020000 k( 443) = ( 0.4521277 0.4521277 0.5957447), wk = 0.0020000 k( 444) = ( 0.4494681 0.4494681 0.6010638), wk = 0.0020000 k( 445) = ( 0.4468085 0.4468085 0.6063830), wk = 0.0020000 k( 446) = ( 0.4441489 0.4441489 0.6117021), wk = 0.0020000 k( 447) = ( 0.4414894 0.4414894 0.6170213), wk = 0.0020000 k( 448) = ( 0.4388298 0.4388298 0.6223404), wk = 0.0020000 k( 449) = ( 0.4361702 0.4361702 0.6276596), wk = 0.0020000 k( 450) = ( 0.4335106 0.4335106 0.6329787), wk = 0.0020000 k( 451) = ( 0.4308511 0.4308511 0.6382979), wk = 0.0020000 k( 452) = ( 0.4281915 0.4281915 0.6436170), wk = 0.0020000 k( 453) = ( 0.4255319 0.4255319 0.6489362), wk = 0.0020000 k( 454) = ( 0.4228723 0.4228723 0.6542553), wk = 0.0020000 k( 455) = ( 0.4202128 0.4202128 0.6595745), wk = 0.0020000 k( 456) = ( 0.4175532 0.4175532 0.6648936), wk = 0.0020000 k( 457) = ( 0.4148936 0.4148936 0.6702128), wk = 0.0020000 k( 458) = ( 0.4122340 0.4122340 0.6755319), wk = 0.0020000 k( 459) = ( 0.4095745 0.4095745 0.6808511), wk = 0.0020000 k( 460) = ( 0.4069149 0.4069149 0.6861702), wk = 0.0020000 k( 461) = ( 0.4042553 0.4042553 0.6914894), wk = 0.0020000 k( 462) = ( 0.4015957 0.4015957 0.6968085), wk = 0.0020000 k( 463) = ( 0.3989362 0.3989362 0.7021277), wk = 0.0020000 k( 464) = ( 0.3962766 0.3962766 0.7074468), wk = 0.0020000 k( 465) = ( 0.3936170 0.3936170 0.7127660), wk = 0.0020000 k( 466) = ( 0.3909574 0.3909574 0.7180851), wk = 0.0020000 k( 467) = ( 0.3882979 0.3882979 0.7234043), wk = 0.0020000 k( 468) = ( 0.3856383 0.3856383 0.7287234), wk = 0.0020000 k( 469) = ( 0.3829787 0.3829787 0.7340425), wk = 0.0020000 k( 470) = ( 0.3803191 0.3803191 0.7393617), wk = 0.0020000 k( 471) = ( 0.3776596 0.3776596 0.7446808), wk = 0.0020000 k( 472) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020000 k( 473) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020000 k( 474) = ( 0.6203704 0.2407407 0.6203704), wk = 0.0020000 k( 475) = ( 0.6157407 0.2314815 0.6157407), wk = 0.0020000 k( 476) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0020000 k( 477) = ( 0.6064815 0.2129630 0.6064815), wk = 0.0020000 k( 478) = ( 0.6018518 0.2037037 0.6018518), wk = 0.0020000 k( 479) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0020000 k( 480) = ( 0.5925926 0.1851852 0.5925926), wk = 0.0020000 k( 481) = ( 0.5879630 0.1759259 0.5879630), wk = 0.0020000 k( 482) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0020000 k( 483) = ( 0.5787037 0.1574074 0.5787037), wk = 0.0020000 k( 484) = ( 0.5740741 0.1481482 0.5740741), wk = 0.0020000 k( 485) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0020000 k( 486) = ( 0.5648148 0.1296296 0.5648148), wk = 0.0020000 k( 487) = ( 0.5601852 0.1203704 0.5601852), wk = 0.0020000 k( 488) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0020000 k( 489) = ( 0.5509259 0.1018518 0.5509259), wk = 0.0020000 k( 490) = ( 0.5462963 0.0925926 0.5462963), wk = 0.0020000 k( 491) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0020000 k( 492) = ( 0.5370370 0.0740741 0.5370370), wk = 0.0020000 k( 493) = ( 0.5324074 0.0648148 0.5324074), wk = 0.0020000 k( 494) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0020000 k( 495) = ( 0.5231482 0.0462963 0.5231482), wk = 0.0020000 k( 496) = ( 0.5185185 0.0370370 0.5185185), wk = 0.0020000 k( 497) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0020000 k( 498) = ( 0.5092593 0.0185185 0.5092593), wk = 0.0020000 k( 499) = ( 0.5046296 0.0092593 0.5046296), wk = 0.0020000 k( 500) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 Dense grid: 11017 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 5817 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 38, 22) NL pseudopotentials 0.01 Mb ( 19, 34) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 306) G-vector shells 0.00 Mb ( 118) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 38, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.02 Mb ( 34, 2, 22) The potential is recalculated from file : ./Mo.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.6 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 4.9 secs Computing kpt #: 14 total cpu time spent up to now is 5.0 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.1 secs Computing kpt #: 17 total cpu time spent up to now is 5.1 secs Computing kpt #: 18 total cpu time spent up to now is 5.2 secs Computing kpt #: 19 total cpu time spent up to now is 5.2 secs Computing kpt #: 20 total cpu time spent up to now is 5.3 secs Computing kpt #: 21 total cpu time spent up to now is 5.3 secs Computing kpt #: 22 total cpu time spent up to now is 5.4 secs Computing kpt #: 23 total cpu time spent up to now is 5.5 secs Computing kpt #: 24 total cpu time spent up to now is 5.5 secs Computing kpt #: 25 total cpu time spent up to now is 5.6 secs Computing kpt #: 26 total cpu time spent up to now is 5.6 secs Computing kpt #: 27 total cpu time spent up to now is 5.7 secs Computing kpt #: 28 total cpu time spent up to now is 5.8 secs Computing kpt #: 29 total cpu time spent up to now is 5.8 secs Computing kpt #: 30 total cpu time spent up to now is 5.9 secs Computing kpt #: 31 total cpu time spent up to now is 6.0 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.3 secs Computing kpt #: 35 total cpu time spent up to now is 6.4 secs Computing kpt #: 36 total cpu time spent up to now is 6.5 secs Computing kpt #: 37 total cpu time spent up to now is 6.5 secs Computing kpt #: 38 total cpu time spent up to now is 6.6 secs Computing kpt #: 39 total cpu time spent up to now is 6.7 secs Computing kpt #: 40 total cpu time spent up to now is 6.8 secs Computing kpt #: 41 total cpu time spent up to now is 6.9 secs Computing kpt #: 42 total cpu time spent up to now is 7.0 secs Computing kpt #: 43 total cpu time spent up to now is 7.1 secs Computing kpt #: 44 total cpu time spent up to now is 7.2 secs Computing kpt #: 45 total cpu time spent up to now is 7.2 secs Computing kpt #: 46 total cpu time spent up to now is 7.3 secs Computing kpt #: 47 total cpu time spent up to now is 7.4 secs Computing kpt #: 48 total cpu time spent up to now is 7.5 secs Computing kpt #: 49 total cpu time spent up to now is 7.6 secs Computing kpt #: 50 total cpu time spent up to now is 7.6 secs Computing kpt #: 51 total cpu time spent up to now is 7.7 secs Computing kpt #: 52 total cpu time spent up to now is 7.8 secs Computing kpt #: 53 total cpu time spent up to now is 7.9 secs Computing kpt #: 54 total cpu time spent up to now is 7.9 secs Computing kpt #: 55 total cpu time spent up to now is 8.0 secs Computing kpt #: 56 total cpu time spent up to now is 8.1 secs Computing kpt #: 57 total cpu time spent up to now is 8.1 secs Computing kpt #: 58 total cpu time spent up to now is 8.2 secs Computing kpt #: 59 total cpu time spent up to now is 8.3 secs Computing kpt #: 60 total cpu time spent up to now is 8.4 secs Computing kpt #: 61 total cpu time spent up to now is 8.4 secs Computing kpt #: 62 total cpu time spent up to now is 8.5 secs Computing kpt #: 63 total cpu time spent up to now is 8.6 secs Computing kpt #: 64 total cpu time spent up to now is 8.6 secs Computing kpt #: 65 total cpu time spent up to now is 8.7 secs Computing kpt #: 66 total cpu time spent up to now is 8.8 secs Computing kpt #: 67 total cpu time spent up to now is 8.8 secs Computing kpt #: 68 total cpu time spent up to now is 8.9 secs Computing kpt #: 69 total cpu time spent up to now is 8.9 secs Computing kpt #: 70 total cpu time spent up to now is 9.0 secs Computing kpt #: 71 total cpu time spent up to now is 9.1 secs Computing kpt #: 72 total cpu time spent up to now is 9.1 secs Computing kpt #: 73 total cpu time spent up to now is 9.2 secs Computing kpt #: 74 total cpu time spent up to now is 9.2 secs Computing kpt #: 75 total cpu time spent up to now is 9.3 secs Computing kpt #: 76 total cpu time spent up to now is 9.4 secs Computing kpt #: 77 total cpu time spent up to now is 9.5 secs Computing kpt #: 78 total cpu time spent up to now is 9.5 secs Computing kpt #: 79 total cpu time spent up to now is 9.6 secs Computing kpt #: 80 total cpu time spent up to now is 9.7 secs Computing kpt #: 81 total cpu time spent up to now is 10.1 secs Computing kpt #: 82 total cpu time spent up to now is 10.2 secs Computing kpt #: 83 total cpu time spent up to now is 10.2 secs Computing kpt #: 84 total cpu time spent up to now is 10.3 secs Computing kpt #: 85 total cpu time spent up to now is 10.4 secs Computing kpt #: 86 total cpu time spent up to now is 10.5 secs Computing kpt #: 87 total cpu time spent up to now is 10.6 secs Computing kpt #: 88 total cpu time spent up to now is 10.6 secs Computing kpt #: 89 total cpu time spent up to now is 10.7 secs Computing kpt #: 90 total cpu time spent up to now is 10.8 secs Computing kpt #: 91 total cpu time spent up to now is 10.8 secs Computing kpt #: 92 total cpu time spent up to now is 10.9 secs Computing kpt #: 93 total cpu time spent up to now is 11.0 secs Computing kpt #: 94 total cpu time spent up to now is 11.1 secs Computing kpt #: 95 total cpu time spent up to now is 11.1 secs Computing kpt #: 96 total cpu time spent up to now is 11.2 secs Computing kpt #: 97 total cpu time spent up to now is 11.3 secs Computing kpt #: 98 total cpu time spent up to now is 11.4 secs Computing kpt #: 99 total cpu time spent up to now is 11.4 secs Computing kpt #: 100 total cpu time spent up to now is 11.5 secs Computing kpt #: 101 total cpu time spent up to now is 11.6 secs Computing kpt #: 102 total cpu time spent up to now is 11.6 secs Computing kpt #: 103 total cpu time spent up to now is 11.7 secs Computing kpt #: 104 total cpu time spent up to now is 11.8 secs Computing kpt #: 105 total cpu time spent up to now is 11.9 secs Computing kpt #: 106 total cpu time spent up to now is 11.9 secs Computing kpt #: 107 total cpu time spent up to now is 12.0 secs Computing kpt #: 108 total cpu time spent up to now is 12.1 secs Computing kpt #: 109 total cpu time spent up to now is 12.2 secs Computing kpt #: 110 total cpu time spent up to now is 12.3 secs Computing kpt #: 111 total cpu time spent up to now is 12.3 secs Computing kpt #: 112 total cpu time spent up to now is 12.4 secs Computing kpt #: 113 total cpu time spent up to now is 12.5 secs Computing kpt #: 114 total cpu time spent up to now is 12.5 secs Computing kpt #: 115 total cpu time spent up to now is 12.6 secs Computing kpt #: 116 total cpu time spent up to now is 12.7 secs Computing kpt #: 117 total cpu time spent up to now is 12.7 secs Computing kpt #: 118 total cpu time spent up to now is 12.8 secs Computing kpt #: 119 total cpu time spent up to now is 12.9 secs Computing kpt #: 120 total cpu time spent up to now is 12.9 secs Computing kpt #: 121 total cpu time spent up to now is 13.0 secs Computing kpt #: 122 total cpu time spent up to now is 13.0 secs Computing kpt #: 123 total cpu time spent up to now is 13.1 secs Computing kpt #: 124 total cpu time spent up to now is 13.1 secs Computing kpt #: 125 total cpu time spent up to now is 13.2 secs Computing kpt #: 126 total cpu time spent up to now is 13.2 secs Computing kpt #: 127 total cpu time spent up to now is 13.3 secs Computing kpt #: 128 total cpu time spent up to now is 13.3 secs Computing kpt #: 129 total cpu time spent up to now is 13.4 secs Computing kpt #: 130 total cpu time spent up to now is 13.4 secs Computing kpt #: 131 total cpu time spent up to now is 13.5 secs Computing kpt #: 132 total cpu time spent up to now is 13.5 secs Computing kpt #: 133 total cpu time spent up to now is 13.6 secs Computing kpt #: 134 total cpu time spent up to now is 13.6 secs Computing kpt #: 135 total cpu time spent up to now is 13.7 secs Computing kpt #: 136 total cpu time spent up to now is 13.7 secs Computing kpt #: 137 total cpu time spent up to now is 13.7 secs Computing kpt #: 138 total cpu time spent up to now is 13.8 secs Computing kpt #: 139 total cpu time spent up to now is 13.8 secs Computing kpt #: 140 total cpu time spent up to now is 13.9 secs Computing kpt #: 141 total cpu time spent up to now is 13.9 secs Computing kpt #: 142 total cpu time spent up to now is 14.0 secs Computing kpt #: 143 total cpu time spent up to now is 14.0 secs Computing kpt #: 144 total cpu time spent up to now is 14.1 secs Computing kpt #: 145 total cpu time spent up to now is 14.1 secs Computing kpt #: 146 total cpu time spent up to now is 14.2 secs Computing kpt #: 147 total cpu time spent up to now is 14.2 secs Computing kpt #: 148 total cpu time spent up to now is 14.2 secs Computing kpt #: 149 total cpu time spent up to now is 14.3 secs Computing kpt #: 150 total cpu time spent up to now is 14.3 secs Computing kpt #: 151 total cpu time spent up to now is 14.4 secs Computing kpt #: 152 total cpu time spent up to now is 14.4 secs Computing kpt #: 153 total cpu time spent up to now is 14.5 secs Computing kpt #: 154 total cpu time spent up to now is 14.5 secs Computing kpt #: 155 total cpu time spent up to now is 14.6 secs Computing kpt #: 156 total cpu time spent up to now is 14.6 secs Computing kpt #: 157 total cpu time spent up to now is 14.7 secs Computing kpt #: 158 total cpu time spent up to now is 14.7 secs Computing kpt #: 159 total cpu time spent up to now is 14.8 secs Computing kpt #: 160 total cpu time spent up to now is 14.9 secs Computing kpt #: 161 total cpu time spent up to now is 14.9 secs Computing kpt #: 162 total cpu time spent up to now is 15.0 secs Computing kpt #: 163 total cpu time spent up to now is 15.0 secs Computing kpt #: 164 total cpu time spent up to now is 15.1 secs Computing kpt #: 165 total cpu time spent up to now is 15.2 secs Computing kpt #: 166 total cpu time spent up to now is 15.2 secs Computing kpt #: 167 total cpu time spent up to now is 15.3 secs Computing kpt #: 168 total cpu time spent up to now is 15.3 secs Computing kpt #: 169 total cpu time spent up to now is 15.4 secs Computing kpt #: 170 total cpu time spent up to now is 15.4 secs Computing kpt #: 171 total cpu time spent up to now is 15.5 secs Computing kpt #: 172 total cpu time spent up to now is 15.6 secs Computing kpt #: 173 total cpu time spent up to now is 15.6 secs Computing kpt #: 174 total cpu time spent up to now is 15.7 secs Computing kpt #: 175 total cpu time spent up to now is 15.7 secs Computing kpt #: 176 total cpu time spent up to now is 15.8 secs Computing kpt #: 177 total cpu time spent up to now is 15.9 secs Computing kpt #: 178 total cpu time spent up to now is 15.9 secs Computing kpt #: 179 total cpu time spent up to now is 16.0 secs Computing kpt #: 180 total cpu time spent up to now is 16.0 secs Computing kpt #: 181 total cpu time spent up to now is 16.1 secs Computing kpt #: 182 total cpu time spent up to now is 16.1 secs Computing kpt #: 183 total cpu time spent up to now is 16.2 secs Computing kpt #: 184 total cpu time spent up to now is 16.2 secs Computing kpt #: 185 total cpu time spent up to now is 16.3 secs Computing kpt #: 186 total cpu time spent up to now is 16.3 secs Computing kpt #: 187 total cpu time spent up to now is 16.4 secs Computing kpt #: 188 total cpu time spent up to now is 16.4 secs Computing kpt #: 189 total cpu time spent up to now is 16.5 secs Computing kpt #: 190 total cpu time spent up to now is 16.5 secs Computing kpt #: 191 total cpu time spent up to now is 16.6 secs Computing kpt #: 192 total cpu time spent up to now is 16.6 secs Computing kpt #: 193 total cpu time spent up to now is 16.7 secs Computing kpt #: 194 total cpu time spent up to now is 16.7 secs Computing kpt #: 195 total cpu time spent up to now is 16.8 secs Computing kpt #: 196 total cpu time spent up to now is 16.9 secs Computing kpt #: 197 total cpu time spent up to now is 16.9 secs Computing kpt #: 198 total cpu time spent up to now is 17.0 secs Computing kpt #: 199 total cpu time spent up to now is 17.1 secs Computing kpt #: 200 total cpu time spent up to now is 17.2 secs Computing kpt #: 201 total cpu time spent up to now is 17.2 secs Computing kpt #: 202 total cpu time spent up to now is 17.3 secs Computing kpt #: 203 total cpu time spent up to now is 17.4 secs Computing kpt #: 204 total cpu time spent up to now is 17.4 secs Computing kpt #: 205 total cpu time spent up to now is 17.5 secs Computing kpt #: 206 total cpu time spent up to now is 17.6 secs Computing kpt #: 207 total cpu time spent up to now is 17.6 secs Computing kpt #: 208 total cpu time spent up to now is 17.7 secs Computing kpt #: 209 total cpu time spent up to now is 17.8 secs Computing kpt #: 210 total cpu time spent up to now is 17.8 secs Computing kpt #: 211 total cpu time spent up to now is 17.9 secs Computing kpt #: 212 total cpu time spent up to now is 17.9 secs Computing kpt #: 213 total cpu time spent up to now is 18.0 secs Computing kpt #: 214 total cpu time spent up to now is 18.0 secs Computing kpt #: 215 total cpu time spent up to now is 18.1 secs Computing kpt #: 216 total cpu time spent up to now is 18.1 secs Computing kpt #: 217 total cpu time spent up to now is 18.2 secs Computing kpt #: 218 total cpu time spent up to now is 18.3 secs Computing kpt #: 219 total cpu time spent up to now is 18.3 secs Computing kpt #: 220 total cpu time spent up to now is 18.4 secs Computing kpt #: 221 total cpu time spent up to now is 18.4 secs Computing kpt #: 222 total cpu time spent up to now is 18.5 secs Computing kpt #: 223 total cpu time spent up to now is 18.6 secs Computing kpt #: 224 total cpu time spent up to now is 18.6 secs Computing kpt #: 225 total cpu time spent up to now is 18.7 secs Computing kpt #: 226 total cpu time spent up to now is 18.7 secs Computing kpt #: 227 total cpu time spent up to now is 18.8 secs Computing kpt #: 228 total cpu time spent up to now is 18.8 secs Computing kpt #: 229 total cpu time spent up to now is 18.9 secs Computing kpt #: 230 total cpu time spent up to now is 19.0 secs Computing kpt #: 231 total cpu time spent up to now is 19.0 secs Computing kpt #: 232 total cpu time spent up to now is 19.1 secs Computing kpt #: 233 total cpu time spent up to now is 19.1 secs Computing kpt #: 234 total cpu time spent up to now is 19.2 secs Computing kpt #: 235 total cpu time spent up to now is 19.2 secs Computing kpt #: 236 total cpu time spent up to now is 19.3 secs Computing kpt #: 237 total cpu time spent up to now is 19.3 secs Computing kpt #: 238 total cpu time spent up to now is 19.4 secs Computing kpt #: 239 total cpu time spent up to now is 19.5 secs Computing kpt #: 240 total cpu time spent up to now is 19.5 secs Computing kpt #: 241 total cpu time spent up to now is 19.6 secs Computing kpt #: 242 total cpu time spent up to now is 19.6 secs Computing kpt #: 243 total cpu time spent up to now is 19.7 secs Computing kpt #: 244 total cpu time spent up to now is 19.7 secs Computing kpt #: 245 total cpu time spent up to now is 19.8 secs Computing kpt #: 246 total cpu time spent up to now is 19.9 secs Computing kpt #: 247 total cpu time spent up to now is 19.9 secs Computing kpt #: 248 total cpu time spent up to now is 20.0 secs Computing kpt #: 249 total cpu time spent up to now is 20.0 secs Computing kpt #: 250 total cpu time spent up to now is 20.1 secs Computing kpt #: 251 total cpu time spent up to now is 20.2 secs Computing kpt #: 252 total cpu time spent up to now is 20.2 secs Computing kpt #: 253 total cpu time spent up to now is 20.3 secs Computing kpt #: 254 total cpu time spent up to now is 20.3 secs Computing kpt #: 255 total cpu time spent up to now is 20.4 secs Computing kpt #: 256 total cpu time spent up to now is 20.5 secs Computing kpt #: 257 total cpu time spent up to now is 20.5 secs Computing kpt #: 258 total cpu time spent up to now is 20.6 secs Computing kpt #: 259 total cpu time spent up to now is 20.6 secs Computing kpt #: 260 total cpu time spent up to now is 20.7 secs Computing kpt #: 261 total cpu time spent up to now is 20.8 secs Computing kpt #: 262 total cpu time spent up to now is 20.8 secs Computing kpt #: 263 total cpu time spent up to now is 20.9 secs Computing kpt #: 264 total cpu time spent up to now is 20.9 secs Computing kpt #: 265 total cpu time spent up to now is 21.0 secs Computing kpt #: 266 total cpu time spent up to now is 21.0 secs Computing kpt #: 267 total cpu time spent up to now is 21.1 secs Computing kpt #: 268 total cpu time spent up to now is 21.1 secs Computing kpt #: 269 total cpu time spent up to now is 21.2 secs Computing kpt #: 270 total cpu time spent up to now is 21.3 secs Computing kpt #: 271 total cpu time spent up to now is 21.3 secs Computing kpt #: 272 total cpu time spent up to now is 21.4 secs Computing kpt #: 273 total cpu time spent up to now is 21.4 secs Computing kpt #: 274 total cpu time spent up to now is 21.5 secs Computing kpt #: 275 total cpu time spent up to now is 21.5 secs Computing kpt #: 276 total cpu time spent up to now is 21.6 secs Computing kpt #: 277 total cpu time spent up to now is 21.6 secs Computing kpt #: 278 total cpu time spent up to now is 21.7 secs Computing kpt #: 279 total cpu time spent up to now is 21.8 secs Computing kpt #: 280 total cpu time spent up to now is 21.8 secs Computing kpt #: 281 total cpu time spent up to now is 21.9 secs Computing kpt #: 282 total cpu time spent up to now is 21.9 secs Computing kpt #: 283 total cpu time spent up to now is 22.0 secs Computing kpt #: 284 total cpu time spent up to now is 22.0 secs Computing kpt #: 285 total cpu time spent up to now is 22.1 secs Computing kpt #: 286 total cpu time spent up to now is 22.1 secs Computing kpt #: 287 total cpu time spent up to now is 22.2 secs Computing kpt #: 288 total cpu time spent up to now is 22.2 secs Computing kpt #: 289 total cpu time spent up to now is 22.3 secs Computing kpt #: 290 total cpu time spent up to now is 22.3 secs Computing kpt #: 291 total cpu time spent up to now is 22.4 secs Computing kpt #: 292 total cpu time spent up to now is 22.4 secs Computing kpt #: 293 total cpu time spent up to now is 22.4 secs Computing kpt #: 294 total cpu time spent up to now is 22.5 secs Computing kpt #: 295 total cpu time spent up to now is 22.5 secs Computing kpt #: 296 total cpu time spent up to now is 22.6 secs Computing kpt #: 297 total cpu time spent up to now is 22.6 secs Computing kpt #: 298 total cpu time spent up to now is 22.7 secs Computing kpt #: 299 total cpu time spent up to now is 22.7 secs Computing kpt #: 300 total cpu time spent up to now is 22.8 secs Computing kpt #: 301 total cpu time spent up to now is 22.8 secs Computing kpt #: 302 total cpu time spent up to now is 22.9 secs Computing kpt #: 303 total cpu time spent up to now is 22.9 secs Computing kpt #: 304 total cpu time spent up to now is 22.9 secs Computing kpt #: 305 total cpu time spent up to now is 23.0 secs Computing kpt #: 306 total cpu time spent up to now is 23.0 secs Computing kpt #: 307 total cpu time spent up to now is 23.1 secs Computing kpt #: 308 total cpu time spent up to now is 23.1 secs Computing kpt #: 309 total cpu time spent up to now is 23.2 secs Computing kpt #: 310 total cpu time spent up to now is 23.2 secs Computing kpt #: 311 total cpu time spent up to now is 23.3 secs Computing kpt #: 312 total cpu time spent up to now is 23.3 secs Computing kpt #: 313 total cpu time spent up to now is 23.4 secs Computing kpt #: 314 total cpu time spent up to now is 23.4 secs Computing kpt #: 315 total cpu time spent up to now is 23.5 secs Computing kpt #: 316 total cpu time spent up to now is 23.5 secs Computing kpt #: 317 total cpu time spent up to now is 23.6 secs Computing kpt #: 318 total cpu time spent up to now is 23.6 secs Computing kpt #: 319 total cpu time spent up to now is 23.7 secs Computing kpt #: 320 total cpu time spent up to now is 23.7 secs Computing kpt #: 321 total cpu time spent up to now is 23.8 secs Computing kpt #: 322 total cpu time spent up to now is 23.8 secs Computing kpt #: 323 total cpu time spent up to now is 23.9 secs Computing kpt #: 324 total cpu time spent up to now is 23.9 secs Computing kpt #: 325 total cpu time spent up to now is 24.0 secs Computing kpt #: 326 total cpu time spent up to now is 24.0 secs Computing kpt #: 327 total cpu time spent up to now is 24.1 secs Computing kpt #: 328 total cpu time spent up to now is 24.1 secs Computing kpt #: 329 total cpu time spent up to now is 24.2 secs Computing kpt #: 330 total cpu time spent up to now is 24.2 secs Computing kpt #: 331 total cpu time spent up to now is 24.3 secs Computing kpt #: 332 total cpu time spent up to now is 24.3 secs Computing kpt #: 333 total cpu time spent up to now is 24.4 secs Computing kpt #: 334 total cpu time spent up to now is 24.4 secs Computing kpt #: 335 total cpu time spent up to now is 24.5 secs Computing kpt #: 336 total cpu time spent up to now is 24.5 secs Computing kpt #: 337 total cpu time spent up to now is 24.6 secs Computing kpt #: 338 total cpu time spent up to now is 24.6 secs Computing kpt #: 339 total cpu time spent up to now is 24.7 secs Computing kpt #: 340 total cpu time spent up to now is 24.7 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 24.9 secs Computing kpt #: 346 total cpu time spent up to now is 25.0 secs Computing kpt #: 347 total cpu time spent up to now is 25.0 secs Computing kpt #: 348 total cpu time spent up to now is 25.1 secs Computing kpt #: 349 total cpu time spent up to now is 25.1 secs Computing kpt #: 350 total cpu time spent up to now is 25.2 secs Computing kpt #: 351 total cpu time spent up to now is 25.2 secs Computing kpt #: 352 total cpu time spent up to now is 25.2 secs Computing kpt #: 353 total cpu time spent up to now is 25.3 secs Computing kpt #: 354 total cpu time spent up to now is 25.3 secs Computing kpt #: 355 total cpu time spent up to now is 25.4 secs Computing kpt #: 356 total cpu time spent up to now is 25.4 secs Computing kpt #: 357 total cpu time spent up to now is 25.5 secs Computing kpt #: 358 total cpu time spent up to now is 25.5 secs Computing kpt #: 359 total cpu time spent up to now is 25.6 secs Computing kpt #: 360 total cpu time spent up to now is 25.6 secs Computing kpt #: 361 total cpu time spent up to now is 25.7 secs Computing kpt #: 362 total cpu time spent up to now is 25.7 secs Computing kpt #: 363 total cpu time spent up to now is 25.8 secs Computing kpt #: 364 total cpu time spent up to now is 25.8 secs Computing kpt #: 365 total cpu time spent up to now is 25.9 secs Computing kpt #: 366 total cpu time spent up to now is 26.0 secs Computing kpt #: 367 total cpu time spent up to now is 26.0 secs Computing kpt #: 368 total cpu time spent up to now is 26.1 secs Computing kpt #: 369 total cpu time spent up to now is 26.2 secs Computing kpt #: 370 total cpu time spent up to now is 26.2 secs Computing kpt #: 371 total cpu time spent up to now is 26.3 secs Computing kpt #: 372 total cpu time spent up to now is 26.3 secs Computing kpt #: 373 total cpu time spent up to now is 26.4 secs Computing kpt #: 374 total cpu time spent up to now is 26.5 secs Computing kpt #: 375 total cpu time spent up to now is 26.5 secs Computing kpt #: 376 total cpu time spent up to now is 26.6 secs Computing kpt #: 377 total cpu time spent up to now is 26.6 secs Computing kpt #: 378 total cpu time spent up to now is 26.7 secs Computing kpt #: 379 total cpu time spent up to now is 26.7 secs Computing kpt #: 380 total cpu time spent up to now is 26.8 secs Computing kpt #: 381 total cpu time spent up to now is 26.9 secs Computing kpt #: 382 total cpu time spent up to now is 26.9 secs Computing kpt #: 383 total cpu time spent up to now is 27.0 secs Computing kpt #: 384 total cpu time spent up to now is 27.0 secs Computing kpt #: 385 total cpu time spent up to now is 27.1 secs Computing kpt #: 386 total cpu time spent up to now is 27.1 secs Computing kpt #: 387 total cpu time spent up to now is 27.2 secs Computing kpt #: 388 total cpu time spent up to now is 27.2 secs Computing kpt #: 389 total cpu time spent up to now is 27.3 secs Computing kpt #: 390 total cpu time spent up to now is 27.3 secs Computing kpt #: 391 total cpu time spent up to now is 27.4 secs Computing kpt #: 392 total cpu time spent up to now is 27.4 secs Computing kpt #: 393 total cpu time spent up to now is 27.5 secs Computing kpt #: 394 total cpu time spent up to now is 27.5 secs Computing kpt #: 395 total cpu time spent up to now is 27.6 secs Computing kpt #: 396 total cpu time spent up to now is 27.6 secs Computing kpt #: 397 total cpu time spent up to now is 27.7 secs Computing kpt #: 398 total cpu time spent up to now is 27.7 secs Computing kpt #: 399 total cpu time spent up to now is 27.8 secs Computing kpt #: 400 total cpu time spent up to now is 27.8 secs Computing kpt #: 401 total cpu time spent up to now is 27.9 secs Computing kpt #: 402 total cpu time spent up to now is 27.9 secs Computing kpt #: 403 total cpu time spent up to now is 28.0 secs Computing kpt #: 404 total cpu time spent up to now is 28.0 secs Computing kpt #: 405 total cpu time spent up to now is 28.1 secs Computing kpt #: 406 total cpu time spent up to now is 28.1 secs Computing kpt #: 407 total cpu time spent up to now is 28.2 secs Computing kpt #: 408 total cpu time spent up to now is 28.2 secs Computing kpt #: 409 total cpu time spent up to now is 28.2 secs Computing kpt #: 410 total cpu time spent up to now is 28.3 secs Computing kpt #: 411 total cpu time spent up to now is 28.3 secs Computing kpt #: 412 total cpu time spent up to now is 28.4 secs Computing kpt #: 413 total cpu time spent up to now is 28.4 secs Computing kpt #: 414 total cpu time spent up to now is 28.5 secs Computing kpt #: 415 total cpu time spent up to now is 28.5 secs Computing kpt #: 416 total cpu time spent up to now is 28.6 secs Computing kpt #: 417 total cpu time spent up to now is 28.6 secs Computing kpt #: 418 total cpu time spent up to now is 28.7 secs Computing kpt #: 419 total cpu time spent up to now is 28.7 secs Computing kpt #: 420 total cpu time spent up to now is 28.7 secs Computing kpt #: 421 total cpu time spent up to now is 28.8 secs Computing kpt #: 422 total cpu time spent up to now is 28.8 secs Computing kpt #: 423 total cpu time spent up to now is 28.9 secs Computing kpt #: 424 total cpu time spent up to now is 28.9 secs Computing kpt #: 425 total cpu time spent up to now is 29.0 secs Computing kpt #: 426 total cpu time spent up to now is 29.0 secs Computing kpt #: 427 total cpu time spent up to now is 29.1 secs Computing kpt #: 428 total cpu time spent up to now is 29.1 secs Computing kpt #: 429 total cpu time spent up to now is 29.1 secs Computing kpt #: 430 total cpu time spent up to now is 29.2 secs Computing kpt #: 431 total cpu time spent up to now is 29.2 secs Computing kpt #: 432 total cpu time spent up to now is 29.3 secs Computing kpt #: 433 total cpu time spent up to now is 29.3 secs Computing kpt #: 434 total cpu time spent up to now is 29.4 secs Computing kpt #: 435 total cpu time spent up to now is 29.4 secs Computing kpt #: 436 total cpu time spent up to now is 29.5 secs Computing kpt #: 437 total cpu time spent up to now is 29.5 secs Computing kpt #: 438 total cpu time spent up to now is 29.5 secs Computing kpt #: 439 total cpu time spent up to now is 29.6 secs Computing kpt #: 440 total cpu time spent up to now is 29.6 secs Computing kpt #: 441 total cpu time spent up to now is 29.7 secs Computing kpt #: 442 total cpu time spent up to now is 29.7 secs Computing kpt #: 443 total cpu time spent up to now is 29.8 secs Computing kpt #: 444 total cpu time spent up to now is 29.8 secs Computing kpt #: 445 total cpu time spent up to now is 29.9 secs Computing kpt #: 446 total cpu time spent up to now is 29.9 secs Computing kpt #: 447 total cpu time spent up to now is 30.0 secs Computing kpt #: 448 total cpu time spent up to now is 30.0 secs Computing kpt #: 449 total cpu time spent up to now is 30.1 secs Computing kpt #: 450 total cpu time spent up to now is 30.1 secs Computing kpt #: 451 total cpu time spent up to now is 30.1 secs Computing kpt #: 452 total cpu time spent up to now is 30.2 secs Computing kpt #: 453 total cpu time spent up to now is 30.2 secs Computing kpt #: 454 total cpu time spent up to now is 30.3 secs Computing kpt #: 455 total cpu time spent up to now is 30.3 secs Computing kpt #: 456 total cpu time spent up to now is 30.4 secs Computing kpt #: 457 total cpu time spent up to now is 30.4 secs Computing kpt #: 458 total cpu time spent up to now is 30.5 secs Computing kpt #: 459 total cpu time spent up to now is 30.5 secs Computing kpt #: 460 total cpu time spent up to now is 30.6 secs Computing kpt #: 461 total cpu time spent up to now is 30.6 secs Computing kpt #: 462 total cpu time spent up to now is 30.7 secs Computing kpt #: 463 total cpu time spent up to now is 30.7 secs Computing kpt #: 464 total cpu time spent up to now is 30.8 secs Computing kpt #: 465 total cpu time spent up to now is 30.8 secs Computing kpt #: 466 total cpu time spent up to now is 30.9 secs Computing kpt #: 467 total cpu time spent up to now is 30.9 secs Computing kpt #: 468 total cpu time spent up to now is 31.0 secs Computing kpt #: 469 total cpu time spent up to now is 31.0 secs Computing kpt #: 470 total cpu time spent up to now is 31.0 secs Computing kpt #: 471 total cpu time spent up to now is 31.1 secs Computing kpt #: 472 total cpu time spent up to now is 31.1 secs Computing kpt #: 473 total cpu time spent up to now is 31.2 secs Computing kpt #: 474 total cpu time spent up to now is 31.2 secs Computing kpt #: 475 total cpu time spent up to now is 31.3 secs Computing kpt #: 476 total cpu time spent up to now is 31.3 secs Computing kpt #: 477 total cpu time spent up to now is 31.4 secs Computing kpt #: 478 total cpu time spent up to now is 31.4 secs Computing kpt #: 479 total cpu time spent up to now is 31.5 secs Computing kpt #: 480 total cpu time spent up to now is 31.5 secs Computing kpt #: 481 total cpu time spent up to now is 31.6 secs Computing kpt #: 482 total cpu time spent up to now is 31.6 secs Computing kpt #: 483 total cpu time spent up to now is 31.7 secs Computing kpt #: 484 total cpu time spent up to now is 31.7 secs Computing kpt #: 485 total cpu time spent up to now is 31.8 secs Computing kpt #: 486 total cpu time spent up to now is 31.8 secs Computing kpt #: 487 total cpu time spent up to now is 31.9 secs Computing kpt #: 488 total cpu time spent up to now is 32.0 secs Computing kpt #: 489 total cpu time spent up to now is 32.0 secs Computing kpt #: 490 total cpu time spent up to now is 32.1 secs Computing kpt #: 491 total cpu time spent up to now is 32.1 secs Computing kpt #: 492 total cpu time spent up to now is 32.2 secs Computing kpt #: 493 total cpu time spent up to now is 32.3 secs Computing kpt #: 494 total cpu time spent up to now is 32.3 secs Computing kpt #: 495 total cpu time spent up to now is 32.4 secs Computing kpt #: 496 total cpu time spent up to now is 32.5 secs Computing kpt #: 497 total cpu time spent up to now is 32.5 secs Computing kpt #: 498 total cpu time spent up to now is 32.6 secs Computing kpt #: 499 total cpu time spent up to now is 32.7 secs Computing kpt #: 500 total cpu time spent up to now is 32.8 secs ethr = 7.14E-08, avg # of iterations = 10.5 total cpu time spent up to now is 32.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -43.0568 -43.0568 -18.3779 -18.3779 -15.8034 -15.8034 -15.8034 -15.8034 11.3541 11.3541 17.0961 17.0961 17.0961 17.0961 17.2338 17.2338 19.4021 19.4021 19.4021 19.4021 30.8205 30.8205 k = 0.0066-0.0038 0.0054 ( 725 PWs) bands (ev): -43.0567 -43.0567 -18.3781 -18.3781 -15.8037 -15.8037 -15.8035 -15.8035 11.3562 11.3562 17.0953 17.0953 17.0973 17.0973 17.2340 17.2340 19.4001 19.4001 19.4028 19.4028 30.8244 30.8244 k = 0.0132-0.0076 0.0107 ( 725 PWs) bands (ev): -43.0564 -43.0564 -18.3787 -18.3787 -15.8047 -15.8047 -15.8040 -15.8040 11.3625 11.3625 17.0925 17.0925 17.1008 17.1008 17.2348 17.2348 19.3939 19.3939 19.4046 19.4046 30.8360 30.8360 k = 0.0197-0.0114 0.0161 ( 725 PWs) bands (ev): -43.0561 -43.0561 -18.3797 -18.3797 -15.8063 -15.8063 -15.8047 -15.8047 11.3730 11.3730 17.0875 17.0875 17.1066 17.1066 17.2365 17.2365 19.3836 19.3836 19.4077 19.4077 30.8553 30.8553 k = 0.0263-0.0152 0.0215 ( 725 PWs) bands (ev): -43.0555 -43.0555 -18.3810 -18.3810 -15.8086 -15.8086 -15.8058 -15.8058 11.3876 11.3876 17.0795 17.0795 17.1148 17.1148 17.2400 17.2400 19.3692 19.3692 19.4120 19.4120 30.8823 30.8823 k = 0.0329-0.0190 0.0269 ( 725 PWs) bands (ev): -43.0548 -43.0548 -18.3827 -18.3827 -15.8116 -15.8116 -15.8071 -15.8071 11.4064 11.4064 17.0680 17.0680 17.1252 17.1252 17.2459 17.2459 19.3508 19.3508 19.4175 19.4175 30.9169 30.9169 k = 0.0395-0.0228 0.0322 ( 725 PWs) bands (ev): -43.0540 -43.0540 -18.3848 -18.3848 -15.8151 -15.8151 -15.8087 -15.8087 11.4293 11.4293 17.0525 17.0525 17.1380 17.1380 17.2545 17.2545 19.3285 19.3285 19.4243 19.4243 30.9591 30.9591 k = 0.0461-0.0266 0.0376 ( 725 PWs) bands (ev): -43.0530 -43.0530 -18.3873 -18.3873 -15.8193 -15.8193 -15.8106 -15.8106 11.4562 11.4562 17.0330 17.0330 17.1532 17.1532 17.2662 17.2662 19.3024 19.3024 19.4322 19.4322 31.0086 31.0086 k = 0.0526-0.0304 0.0430 ( 725 PWs) bands (ev): -43.0518 -43.0518 -18.3902 -18.3902 -15.8241 -15.8241 -15.8128 -15.8128 11.4872 11.4872 17.0095 17.0095 17.1706 17.1706 17.2809 17.2809 19.2724 19.2724 19.4414 19.4414 31.0654 31.0654 k = 0.0592-0.0342 0.0483 ( 729 PWs) bands (ev): -43.0507 -43.0507 -18.3934 -18.3934 -15.8297 -15.8297 -15.8153 -15.8153 11.5222 11.5222 16.9821 16.9821 17.1903 17.1903 17.2986 17.2986 19.2389 19.2389 19.4517 19.4517 31.1294 31.1294 k = 0.0658-0.0380 0.0537 ( 729 PWs) bands (ev): -43.0493 -43.0493 -18.3970 -18.3970 -15.8357 -15.8357 -15.8181 -15.8181 11.5611 11.5611 16.9511 16.9511 17.2124 17.2124 17.3192 17.3192 19.2018 19.2018 19.4633 19.4633 31.2004 31.2004 k = 0.0724-0.0418 0.0591 ( 729 PWs) bands (ev): -43.0477 -43.0477 -18.4009 -18.4009 -15.8423 -15.8423 -15.8211 -15.8211 11.6039 11.6039 16.9167 16.9167 17.2367 17.2367 17.3426 17.3426 19.1614 19.1614 19.4760 19.4760 31.2782 31.2782 k = 0.0789-0.0456 0.0645 ( 729 PWs) bands (ev): -43.0460 -43.0460 -18.4052 -18.4052 -15.8495 -15.8495 -15.8244 -15.8244 11.6505 11.6505 16.8792 16.8792 17.2633 17.2633 17.3687 17.3687 19.1178 19.1178 19.4899 19.4899 31.3627 31.3627 k = 0.0855-0.0494 0.0698 ( 729 PWs) bands (ev): -43.0441 -43.0441 -18.4098 -18.4098 -15.8572 -15.8572 -15.8279 -15.8279 11.7008 11.7008 16.8388 16.8388 17.2921 17.2921 17.3973 17.3973 19.0711 19.0711 19.5049 19.5049 31.4537 31.4537 k = 0.0921-0.0532 0.0752 ( 729 PWs) bands (ev): -43.0421 -43.0421 -18.4147 -18.4147 -15.8654 -15.8654 -15.8318 -15.8318 11.7547 11.7547 16.7956 16.7956 17.3232 17.3232 17.4285 17.4285 19.0217 19.0217 19.5210 19.5210 31.5510 31.5510 k = 0.0987-0.0570 0.0806 ( 721 PWs) bands (ev): -43.0397 -43.0397 -18.4199 -18.4199 -15.8740 -15.8740 -15.8357 -15.8357 11.8121 11.8121 16.7498 16.7498 17.3565 17.3565 17.4622 17.4622 18.9697 18.9697 19.5383 19.5383 31.6545 31.6545 k = 0.1053-0.0608 0.0859 ( 721 PWs) bands (ev): -43.0374 -43.0374 -18.4254 -18.4254 -15.8833 -15.8833 -15.8400 -15.8400 11.8729 11.8729 16.7018 16.7018 17.3920 17.3920 17.4983 17.4983 18.9153 18.9153 19.5566 19.5566 31.7638 31.7638 k = 0.1118-0.0646 0.0913 ( 725 PWs) bands (ev): -43.0352 -43.0352 -18.4314 -18.4314 -15.8931 -15.8931 -15.8446 -15.8446 11.9370 11.9370 16.6515 16.6515 17.4296 17.4296 17.5368 17.5368 18.8589 18.8589 19.5761 19.5761 31.8787 31.8787 k = 0.1184-0.0684 0.0967 ( 717 PWs) bands (ev): -43.0324 -43.0324 -18.4374 -18.4374 -15.9031 -15.9031 -15.8493 -15.8493 12.0043 12.0043 16.5993 16.5993 17.4694 17.4694 17.5777 17.5777 18.8006 18.8006 19.5965 19.5965 31.9992 31.9992 k = 0.1250-0.0722 0.1021 ( 717 PWs) bands (ev): -43.0298 -43.0298 -18.4439 -18.4439 -15.9137 -15.9137 -15.8542 -15.8542 12.0745 12.0745 16.5453 16.5453 17.5113 17.5113 17.6209 17.6209 18.7408 18.7408 19.6180 19.6180 32.1248 32.1248 k = 0.1316-0.0760 0.1074 ( 717 PWs) bands (ev): -43.0271 -43.0271 -18.4506 -18.4506 -15.9247 -15.9247 -15.8594 -15.8594 12.1475 12.1475 16.4896 16.4896 17.5552 17.5552 17.6664 17.6664 18.6799 18.6799 19.6405 19.6405 32.2554 32.2554 k = 0.1382-0.0798 0.1128 ( 721 PWs) bands (ev): -43.0244 -43.0244 -18.4577 -18.4577 -15.9363 -15.9363 -15.8648 -15.8648 12.2232 12.2232 16.4325 16.4325 17.6010 17.6010 17.7142 17.7142 18.6182 18.6182 19.6640 19.6640 32.3908 32.3908 k = 0.1447-0.0836 0.1182 ( 721 PWs) bands (ev): -43.0215 -43.0215 -18.4650 -18.4650 -15.9480 -15.9480 -15.8703 -15.8703 12.3014 12.3014 16.3741 16.3741 17.6487 17.6487 17.7643 17.7643 18.5562 18.5562 19.6884 19.6884 32.5308 32.5308 k = 0.1513-0.0874 0.1235 ( 721 PWs) bands (ev): -43.0185 -43.0185 -18.4724 -18.4724 -15.9601 -15.9601 -15.8760 -15.8760 12.3817 12.3817 16.3145 16.3145 17.6979 17.6979 17.8166 17.8166 18.4944 18.4944 19.7138 19.7138 32.6750 32.6750 k = 0.1579-0.0912 0.1289 ( 721 PWs) bands (ev): -43.0154 -43.0154 -18.4802 -18.4802 -15.9726 -15.9726 -15.8819 -15.8819 12.4640 12.4640 16.2540 16.2540 17.7485 17.7485 17.8711 17.8711 18.4334 18.4334 19.7400 19.7400 32.8234 32.8234 k = 0.1645-0.0950 0.1343 ( 709 PWs) bands (ev): -43.0117 -43.0117 -18.4879 -18.4879 -15.9851 -15.9851 -15.8878 -15.8878 12.5481 12.5481 16.1926 16.1926 17.7999 17.7999 17.9277 17.9277 18.3741 18.3741 19.7671 19.7671 32.9757 32.9757 k = 0.1711-0.0988 0.1397 ( 709 PWs) bands (ev): -43.0084 -43.0084 -18.4960 -18.4960 -15.9981 -15.9981 -15.8940 -15.8940 12.6335 12.6335 16.1305 16.1305 17.8511 17.8511 17.9866 17.9866 18.3180 18.3180 19.7950 19.7950 33.1315 33.1315 k = 0.1776-0.1026 0.1450 ( 717 PWs) bands (ev): -43.0054 -43.0054 -18.5044 -18.5044 -16.0114 -16.0114 -15.9004 -15.9004 12.7200 12.7200 16.0679 16.0679 17.9000 17.9000 18.0475 18.0475 18.2675 18.2675 19.8237 19.8237 33.2904 33.2904 k = 0.1842-0.1064 0.1504 ( 725 PWs) bands (ev): -43.0024 -43.0024 -18.5131 -18.5131 -16.0250 -16.0250 -15.9069 -15.9069 12.8072 12.8072 16.0048 16.0048 17.9421 17.9421 18.1105 18.1105 18.2277 18.2277 19.8531 19.8531 33.4526 33.4526 k = 0.1908-0.1102 0.1558 ( 725 PWs) bands (ev): -42.9989 -42.9989 -18.5217 -18.5217 -16.0386 -16.0386 -15.9135 -15.9135 12.8948 12.8948 15.9415 15.9415 17.9679 17.9679 18.1755 18.1755 18.2085 18.2085 19.8833 19.8833 33.6176 33.6176 k = 0.1974-0.1140 0.1612 ( 721 PWs) bands (ev): -42.9951 -42.9951 -18.5304 -18.5304 -16.0523 -16.0523 -15.9202 -15.9202 12.9822 12.9822 15.8780 15.8780 17.9677 17.9677 18.2201 18.2201 18.2426 18.2426 19.9141 19.9141 33.7853 33.7853 k = 0.2039-0.1177 0.1665 ( 721 PWs) bands (ev): -42.9916 -42.9916 -18.5393 -18.5393 -16.0662 -16.0662 -15.9269 -15.9269 13.0691 13.0691 15.8145 15.8145 17.9457 17.9457 18.2589 18.2589 18.3117 18.3117 19.9455 19.9455 33.9038 33.9038 k = 0.2105-0.1215 0.1719 ( 721 PWs) bands (ev): -42.9879 -42.9879 -18.5483 -18.5483 -16.0801 -16.0801 -15.9338 -15.9338 13.1549 13.1549 15.7510 15.7510 17.9139 17.9139 18.3134 18.3134 18.3827 18.3827 19.9775 19.9775 33.8933 33.8933 k = 0.2171-0.1253 0.1773 ( 721 PWs) bands (ev): -42.9842 -42.9842 -18.5574 -18.5574 -16.0942 -16.0942 -15.9407 -15.9407 13.2390 13.2390 15.6877 15.6877 17.8801 17.8801 18.3764 18.3764 18.4555 18.4555 20.0101 20.0101 33.8851 33.8851 k = 0.2237-0.1291 0.1826 ( 721 PWs) bands (ev): -42.9805 -42.9805 -18.5666 -18.5666 -16.1083 -16.1083 -15.9476 -15.9476 13.3209 13.3209 15.6247 15.6247 17.8484 17.8484 18.4446 18.4446 18.5303 18.5303 20.0431 20.0431 33.8784 33.8784 k = 0.2303-0.1329 0.1880 ( 721 PWs) bands (ev): -42.9768 -42.9768 -18.5759 -18.5759 -16.1225 -16.1225 -15.9546 -15.9546 13.4000 13.4000 15.5621 15.5621 17.8208 17.8208 18.5164 18.5164 18.6068 18.6068 20.0766 20.0766 33.8728 33.8728 k = 0.2368-0.1367 0.1934 ( 721 PWs) bands (ev): -42.9730 -42.9730 -18.5852 -18.5852 -16.1367 -16.1367 -15.9616 -15.9616 13.4756 13.4756 15.5000 15.5000 17.7988 17.7988 18.5910 18.5910 18.6851 18.6851 20.1104 20.1104 33.8675 33.8675 k = 0.2434-0.1405 0.1988 ( 721 PWs) bands (ev): -42.9692 -42.9692 -18.5945 -18.5945 -16.1508 -16.1508 -15.9687 -15.9687 13.5471 13.5471 15.4385 15.4385 17.7836 17.7836 18.6680 18.6680 18.7650 18.7650 20.1446 20.1446 33.8615 33.8615 k = 0.2500-0.1443 0.2041 ( 729 PWs) bands (ev): -42.9658 -42.9658 -18.6040 -18.6040 -16.1650 -16.1650 -15.9759 -15.9759 13.6139 13.6139 15.3776 15.3776 17.7759 17.7759 18.7472 18.7472 18.8466 18.8466 20.1791 20.1791 33.8533 33.8533 k = 0.2566-0.1481 0.2095 ( 721 PWs) bands (ev): -42.9617 -42.9617 -18.6132 -18.6132 -16.1789 -16.1789 -15.9828 -15.9828 13.6754 13.6754 15.3175 15.3175 17.7765 17.7765 18.8283 18.8283 18.9298 18.9298 20.2139 20.2139 33.8401 33.8401 k = 0.2632-0.1519 0.2149 ( 721 PWs) bands (ev): -42.9579 -42.9579 -18.6225 -18.6225 -16.1928 -16.1928 -15.9898 -15.9898 13.7312 13.7312 15.2582 15.2582 17.7861 17.7861 18.9112 18.9112 19.0144 19.0144 20.2488 20.2488 33.8130 33.8130 k = 0.2697-0.1557 0.2202 ( 721 PWs) bands (ev): -42.9541 -42.9541 -18.6318 -18.6318 -16.2067 -16.2067 -15.9968 -15.9968 13.7806 13.7806 15.1998 15.1998 17.8051 17.8051 18.9957 18.9957 19.1005 19.1005 20.2839 20.2839 33.7410 33.7410 k = 0.2763-0.1595 0.2256 ( 721 PWs) bands (ev): -42.9504 -42.9504 -18.6411 -18.6411 -16.2203 -16.2203 -16.0038 -16.0038 13.8235 13.8235 15.1424 15.1424 17.8341 17.8341 19.0817 19.0817 19.1878 19.1878 20.3190 20.3190 33.6014 33.6014 k = 0.2829-0.1633 0.2310 ( 721 PWs) bands (ev): -42.9467 -42.9467 -18.6503 -18.6503 -16.2339 -16.2339 -16.0107 -16.0107 13.8596 13.8596 15.0860 15.0860 17.8731 17.8731 19.1691 19.1691 19.2764 19.2764 20.3541 20.3541 33.4324 33.4324 k = 0.2895-0.1671 0.2364 ( 721 PWs) bands (ev): -42.9430 -42.9430 -18.6594 -18.6594 -16.2472 -16.2472 -16.0175 -16.0175 13.8889 13.8889 15.0307 15.0307 17.9222 17.9222 19.2579 19.2579 19.3662 19.3662 20.3893 20.3893 33.2540 33.2540 k = 0.2961-0.1709 0.2417 ( 721 PWs) bands (ev): -42.9393 -42.9393 -18.6684 -18.6684 -16.2604 -16.2604 -16.0243 -16.0243 13.9113 13.9113 14.9766 14.9766 17.9814 17.9814 19.3478 19.3478 19.4570 19.4570 20.4243 20.4243 33.0713 33.0713 k = 0.3026-0.1747 0.2471 ( 721 PWs) bands (ev): -42.9357 -42.9357 -18.6773 -18.6773 -16.2733 -16.2733 -16.0309 -16.0309 13.9272 13.9272 14.9237 14.9237 18.0504 18.0504 19.4388 19.4388 19.5487 19.5487 20.4592 20.4592 32.8864 32.8864 k = 0.3092-0.1785 0.2525 ( 717 PWs) bands (ev): -42.9320 -42.9320 -18.6860 -18.6860 -16.2859 -16.2859 -16.0375 -16.0375 13.9367 13.9367 14.8721 14.8721 18.1288 18.1288 19.5308 19.5308 19.6411 19.6411 20.4939 20.4939 32.7004 32.7004 k = 0.3158-0.1823 0.2578 ( 717 PWs) bands (ev): -42.9285 -42.9285 -18.6946 -18.6946 -16.2983 -16.2983 -16.0440 -16.0440 13.9405 13.9405 14.8219 14.8219 18.2161 18.2161 19.6235 19.6235 19.7342 19.7342 20.5283 20.5283 32.5141 32.5141 k = 0.3224-0.1861 0.2632 ( 717 PWs) bands (ev): -42.9250 -42.9250 -18.7031 -18.7031 -16.3105 -16.3105 -16.0503 -16.0503 13.9388 13.9388 14.7730 14.7730 18.3117 18.3117 19.7169 19.7169 19.8278 19.8278 20.5625 20.5625 32.3281 32.3281 k = 0.3289-0.1899 0.2686 ( 717 PWs) bands (ev): -42.9216 -42.9216 -18.7114 -18.7114 -16.3223 -16.3223 -16.0565 -16.0565 13.9323 13.9323 14.7255 14.7255 18.4149 18.4149 19.8109 19.8109 19.9216 19.9216 20.5964 20.5964 32.1429 32.1429 k = 0.3355-0.1937 0.2740 ( 717 PWs) bands (ev): -42.9183 -42.9183 -18.7195 -18.7195 -16.3339 -16.3339 -16.0626 -16.0626 13.9216 13.9216 14.6795 14.6795 18.5251 18.5251 19.9052 19.9052 20.0155 20.0155 20.6299 20.6299 31.9592 31.9592 k = 0.3421-0.1975 0.2793 ( 717 PWs) bands (ev): -42.9151 -42.9151 -18.7275 -18.7275 -16.3451 -16.3451 -16.0685 -16.0685 13.9072 13.9072 14.6350 14.6350 18.6414 18.6414 19.9996 19.9996 20.1093 20.1093 20.6631 20.6631 31.7774 31.7774 k = 0.3487-0.2013 0.2847 ( 717 PWs) bands (ev): -42.9120 -42.9120 -18.7352 -18.7352 -16.3560 -16.3560 -16.0742 -16.0742 13.8896 13.8896 14.5920 14.5920 18.7631 18.7631 20.0941 20.0941 20.2025 20.2025 20.6960 20.6960 31.5978 31.5978 k = 0.3553-0.2051 0.2901 ( 717 PWs) bands (ev): -42.9089 -42.9089 -18.7427 -18.7427 -16.3665 -16.3665 -16.0798 -16.0798 13.8695 13.8695 14.5507 14.5507 18.8893 18.8893 20.1883 20.1883 20.2950 20.2950 20.7287 20.7287 31.4210 31.4210 k = 0.3618-0.2089 0.2954 ( 717 PWs) bands (ev): -42.9060 -42.9060 -18.7499 -18.7499 -16.3767 -16.3767 -16.0852 -16.0852 13.8473 13.8473 14.5109 14.5109 19.0194 19.0194 20.2820 20.2820 20.3862 20.3862 20.7614 20.7614 31.2475 31.2475 k = 0.3684-0.2127 0.3008 ( 717 PWs) bands (ev): -42.9031 -42.9031 -18.7569 -18.7569 -16.3864 -16.3864 -16.0904 -16.0904 13.8236 13.8236 14.4729 14.4729 19.1524 19.1524 20.3750 20.3750 20.4754 20.4754 20.7944 20.7944 31.0775 31.0775 k = 0.3750-0.2165 0.3062 ( 725 PWs) bands (ev): -42.9007 -42.9007 -18.7638 -18.7638 -16.3960 -16.3960 -16.0954 -16.0954 13.7987 13.7987 14.4364 14.4364 19.2876 19.2876 20.4671 20.4671 20.5617 20.5617 20.8283 20.8283 30.9115 30.9115 k = 0.3816-0.2203 0.3116 ( 725 PWs) bands (ev): -42.8981 -42.8981 -18.7703 -18.7703 -16.4050 -16.4050 -16.1002 -16.1002 13.7731 13.7731 14.4017 14.4017 19.4242 19.4242 20.5579 20.5579 20.6434 20.6434 20.8645 20.8645 30.7501 30.7501 k = 0.3882-0.2241 0.3169 ( 721 PWs) bands (ev): -42.8954 -42.8954 -18.7764 -18.7764 -16.4134 -16.4134 -16.1048 -16.1048 13.7471 13.7471 14.3688 14.3688 19.5614 19.5614 20.6471 20.6471 20.7181 20.7181 20.9051 20.9051 30.5936 30.5936 k = 0.3947-0.2279 0.3223 ( 721 PWs) bands (ev): -42.8930 -42.8930 -18.7823 -18.7823 -16.4215 -16.4215 -16.1092 -16.1092 13.7211 13.7211 14.3376 14.3376 19.6983 19.6983 20.7344 20.7344 20.7823 20.7823 20.9532 20.9532 30.4425 30.4425 k = 0.4013-0.2317 0.3277 ( 725 PWs) bands (ev): -42.8909 -42.8909 -18.7879 -18.7879 -16.4292 -16.4292 -16.1134 -16.1134 13.6955 13.6955 14.3081 14.3081 19.8341 19.8341 20.8194 20.8194 20.8337 20.8337 21.0105 21.0105 30.2971 30.2971 k = 0.4079-0.2355 0.3330 ( 725 PWs) bands (ev): -42.8888 -42.8888 -18.7932 -18.7932 -16.4364 -16.4364 -16.1174 -16.1174 13.6703 13.6703 14.2805 14.2805 19.9680 19.9680 20.8738 20.8738 20.9018 20.9018 21.0753 21.0753 30.1581 30.1581 k = 0.4145-0.2393 0.3384 ( 725 PWs) bands (ev): -42.8867 -42.8867 -18.7981 -18.7981 -16.4432 -16.4432 -16.1210 -16.1210 13.6460 13.6460 14.2547 14.2547 20.0990 20.0990 20.9059 20.9059 20.9811 20.9811 21.1438 21.1438 30.0259 30.0259 k = 0.4211-0.2431 0.3438 ( 725 PWs) bands (ev): -42.8849 -42.8849 -18.8027 -18.8027 -16.4495 -16.4495 -16.1244 -16.1244 13.6228 13.6228 14.2308 14.2308 20.2262 20.2262 20.9327 20.9327 21.0569 21.0569 21.2128 21.2128 29.9009 29.9009 k = 0.4276-0.2469 0.3492 ( 724 PWs) bands (ev): -42.8831 -42.8831 -18.8070 -18.8070 -16.4553 -16.4553 -16.1276 -16.1276 13.6007 13.6007 14.2087 14.2087 20.3486 20.3486 20.9557 20.9557 21.1288 21.1288 21.2803 21.2803 29.7837 29.7837 k = 0.4342-0.2507 0.3545 ( 724 PWs) bands (ev): -42.8815 -42.8815 -18.8109 -18.8109 -16.4606 -16.4606 -16.1305 -16.1305 13.5801 13.5801 14.1885 14.1885 20.4654 20.4654 20.9759 20.9759 21.1963 21.1963 21.3450 21.3450 29.6747 29.6747 k = 0.4408-0.2545 0.3599 ( 732 PWs) bands (ev): -42.8804 -42.8804 -18.8146 -18.8146 -16.4656 -16.4656 -16.1333 -16.1333 13.5610 13.5610 14.1701 14.1701 20.5754 20.5754 20.9937 20.9937 21.2589 21.2589 21.4058 21.4058 29.5744 29.5744 k = 0.4474-0.2583 0.3653 ( 732 PWs) bands (ev): -42.8791 -42.8791 -18.8178 -18.8178 -16.4700 -16.4700 -16.1357 -16.1357 13.5436 13.5436 14.1537 14.1537 20.6777 20.6777 21.0094 21.0094 21.3163 21.3163 21.4620 21.4620 29.4834 29.4834 k = 0.4539-0.2621 0.3706 ( 732 PWs) bands (ev): -42.8779 -42.8779 -18.8207 -18.8207 -16.4738 -16.4738 -16.1378 -16.1378 13.5279 13.5279 14.1391 14.1391 20.7713 20.7713 21.0231 21.0231 21.3680 21.3680 21.5131 21.5131 29.4019 29.4019 k = 0.4605-0.2659 0.3760 ( 732 PWs) bands (ev): -42.8769 -42.8769 -18.8231 -18.8231 -16.4772 -16.4772 -16.1396 -16.1396 13.5142 13.5142 14.1265 14.1265 20.8551 20.8551 21.0349 21.0349 21.4135 21.4135 21.5585 21.5585 29.3305 29.3305 k = 0.4671-0.2697 0.3814 ( 740 PWs) bands (ev): -42.8764 -42.8764 -18.8254 -18.8254 -16.4801 -16.4801 -16.1413 -16.1413 13.5024 13.5024 14.1158 14.1158 20.9280 20.9280 21.0449 21.0449 21.4526 21.4526 21.5977 21.5977 29.2694 29.2694 k = 0.4737-0.2735 0.3868 ( 740 PWs) bands (ev): -42.8757 -42.8757 -18.8271 -18.8271 -16.4824 -16.4824 -16.1426 -16.1426 13.4927 13.4927 14.1071 14.1071 20.9893 20.9893 21.0530 21.0530 21.4849 21.4849 21.6304 21.6304 29.2191 29.2191 k = 0.4803-0.2773 0.3921 ( 740 PWs) bands (ev): -42.8751 -42.8751 -18.8284 -18.8284 -16.4842 -16.4842 -16.1436 -16.1436 13.4851 13.4851 14.1003 14.1003 21.0380 21.0380 21.0593 21.0593 21.5102 21.5102 21.6562 21.6562 29.1796 29.1796 k = 0.4868-0.2811 0.3975 ( 740 PWs) bands (ev): -42.8747 -42.8747 -18.8294 -18.8294 -16.4855 -16.4855 -16.1443 -16.1443 13.4797 13.4797 14.0954 14.0954 21.0638 21.0638 21.0733 21.0733 21.5284 21.5284 21.6748 21.6748 29.1513 29.1513 k = 0.4934-0.2849 0.4029 ( 740 PWs) bands (ev): -42.8745 -42.8745 -18.8300 -18.8300 -16.4863 -16.4863 -16.1447 -16.1447 13.4764 13.4764 14.0925 14.0925 21.0665 21.0665 21.0948 21.0948 21.5393 21.5393 21.6861 21.6861 29.1343 29.1343 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -42.8744 -42.8744 -18.8302 -18.8302 -16.4866 -16.4866 -16.1449 -16.1449 13.4753 13.4753 14.0915 14.0915 21.0674 21.0674 21.1020 21.1020 21.5430 21.5430 21.6898 21.6898 29.1286 29.1286 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -42.8744 -42.8744 -18.8302 -18.8302 -16.4866 -16.4866 -16.1449 -16.1449 13.4753 13.4753 14.0915 14.0915 21.0674 21.0674 21.1020 21.1020 21.5430 21.5430 21.6898 21.6898 29.1286 29.1286 k = 0.5000-0.2811 0.4136 ( 740 PWs) bands (ev): -42.8744 -42.8744 -18.8301 -18.8301 -16.4865 -16.4865 -16.1450 -16.1450 13.4769 13.4769 14.0930 14.0930 21.0398 21.0398 21.0796 21.0796 21.5664 21.5664 21.7140 21.7140 29.1263 29.1263 k = 0.5000-0.2735 0.4190 ( 736 PWs) bands (ev): -42.8742 -42.8742 -18.8300 -18.8300 -16.4862 -16.4862 -16.1453 -16.1453 13.4819 13.4819 14.0974 14.0974 20.9356 20.9356 21.0651 21.0651 21.5946 21.5946 21.7969 21.7969 29.1191 29.1191 k = 0.5000-0.2659 0.4244 ( 732 PWs) bands (ev): -42.8740 -42.8740 -18.8298 -18.8298 -16.4858 -16.4858 -16.1459 -16.1459 13.4901 13.4901 14.1048 14.1048 20.8018 20.8018 21.0485 21.0485 21.6062 21.6062 21.9232 21.9232 29.1071 29.1071 k = 0.5000-0.2583 0.4297 ( 732 PWs) bands (ev): -42.8740 -42.8740 -18.8297 -18.8297 -16.4853 -16.4853 -16.1468 -16.1468 13.5015 13.5015 14.1151 14.1151 20.6574 20.6574 21.0262 21.0262 21.6107 21.6107 22.0681 22.0681 29.0901 29.0901 k = 0.5000-0.2507 0.4351 ( 732 PWs) bands (ev): -42.8740 -42.8740 -18.8295 -18.8295 -16.4846 -16.4846 -16.1480 -16.1480 13.5162 13.5162 14.1283 14.1283 20.5084 20.5084 20.9978 20.9978 21.6127 21.6127 22.2214 22.2214 29.0681 29.0681 k = 0.5000-0.2431 0.4405 ( 732 PWs) bands (ev): -42.8740 -42.8740 -18.8293 -18.8293 -16.4838 -16.4838 -16.1494 -16.1494 13.5340 13.5340 14.1445 14.1445 20.3574 20.3574 20.9634 20.9634 21.6136 21.6136 22.3791 22.3791 29.0413 29.0413 k = 0.5000-0.2355 0.4459 ( 728 PWs) bands (ev): -42.8738 -42.8738 -18.8290 -18.8290 -16.4828 -16.4828 -16.1510 -16.1510 13.5550 13.5550 14.1636 14.1636 20.2056 20.2056 20.9232 20.9232 21.6139 21.6139 22.5393 22.5393 29.0100 29.0100 k = 0.5000-0.2279 0.4512 ( 724 PWs) bands (ev): -42.8737 -42.8737 -18.8286 -18.8286 -16.4816 -16.4816 -16.1529 -16.1529 13.5791 13.5791 14.1857 14.1857 20.0537 20.0537 20.8772 20.8772 21.6141 21.6141 22.7013 22.7013 28.9749 28.9749 k = 0.5000-0.2203 0.4566 ( 724 PWs) bands (ev): -42.8736 -42.8736 -18.8283 -18.8283 -16.4804 -16.4804 -16.1551 -16.1551 13.6061 13.6061 14.2106 14.2106 19.9022 19.9022 20.8258 20.8258 21.6141 21.6141 22.8644 22.8644 28.9368 28.9368 k = 0.5000-0.2127 0.4620 ( 724 PWs) bands (ev): -42.8736 -42.8736 -18.8279 -18.8279 -16.4790 -16.4790 -16.1575 -16.1575 13.6361 13.6361 14.2384 14.2384 19.7513 19.7513 20.7691 20.7691 21.6140 21.6140 23.0283 23.0283 28.8965 28.8965 k = 0.5000-0.2051 0.4673 ( 724 PWs) bands (ev): -42.8736 -42.8736 -18.8275 -18.8275 -16.4775 -16.4775 -16.1601 -16.1601 13.6690 13.6690 14.2692 14.2692 19.6013 19.6013 20.7074 20.7074 21.6139 21.6139 23.1927 23.1927 28.8549 28.8549 k = 0.5000-0.1975 0.4727 ( 720 PWs) bands (ev): -42.8734 -42.8734 -18.8270 -18.8270 -16.4758 -16.4758 -16.1628 -16.1628 13.7045 13.7045 14.3028 14.3028 19.4522 19.4522 20.6411 20.6411 21.6138 21.6138 23.3574 23.3574 28.8128 28.8128 k = 0.5000-0.1899 0.4781 ( 720 PWs) bands (ev): -42.8734 -42.8734 -18.8266 -18.8266 -16.4740 -16.4740 -16.1658 -16.1658 13.7427 13.7427 14.3393 14.3393 19.3041 19.3041 20.5704 20.5704 21.6137 21.6137 23.5222 23.5222 28.7708 28.7708 k = 0.5000-0.1823 0.4835 ( 724 PWs) bands (ev): -42.8736 -42.8736 -18.8262 -18.8262 -16.4721 -16.4721 -16.1691 -16.1691 13.7834 13.7834 14.3786 14.3786 19.1573 19.1573 20.4958 20.4958 21.6136 21.6136 23.6869 23.6869 28.7295 28.7295 k = 0.5000-0.1747 0.4888 ( 724 PWs) bands (ev): -42.8736 -42.8736 -18.8257 -18.8257 -16.4701 -16.4701 -16.1724 -16.1724 13.8264 13.8264 14.4208 14.4208 19.0117 19.0117 20.4177 20.4177 21.6135 21.6135 23.8515 23.8515 28.6892 28.6892 k = 0.5000-0.1671 0.4942 ( 726 PWs) bands (ev): -42.8737 -42.8737 -18.8252 -18.8252 -16.4680 -16.4680 -16.1759 -16.1759 13.8715 13.8715 14.4658 14.4658 18.8675 18.8675 20.3364 20.3364 21.6135 21.6135 24.0158 24.0158 28.6503 28.6503 k = 0.5000-0.1595 0.4996 ( 726 PWs) bands (ev): -42.8736 -42.8736 -18.8247 -18.8247 -16.4658 -16.4658 -16.1795 -16.1795 13.9187 13.9187 14.5136 14.5136 18.7246 18.7246 20.2524 20.2524 21.6135 21.6135 24.1797 24.1797 28.6131 28.6131 k = 0.5000-0.1519 0.5049 ( 730 PWs) bands (ev): -42.8738 -42.8738 -18.8243 -18.8243 -16.4635 -16.4635 -16.1834 -16.1834 13.9676 13.9676 14.5642 14.5642 18.5832 18.5832 20.1662 20.1662 21.6135 21.6135 24.3431 24.3431 28.5777 28.5777 k = 0.5000-0.1443 0.5103 ( 730 PWs) bands (ev): -42.8738 -42.8738 -18.8238 -18.8238 -16.4611 -16.4611 -16.1872 -16.1872 14.0182 14.0182 14.6176 14.6176 18.4433 18.4433 20.0783 20.0783 21.6135 21.6135 24.5057 24.5057 28.5443 28.5443 k = 0.5000-0.1367 0.5157 ( 730 PWs) bands (ev): -42.8738 -42.8738 -18.8233 -18.8233 -16.4586 -16.4586 -16.1911 -16.1911 14.0700 14.0700 14.6737 14.6737 18.3050 18.3050 19.9892 19.9892 21.6136 21.6136 24.6676 24.6676 28.5129 28.5129 k = 0.5000-0.1291 0.5211 ( 730 PWs) bands (ev): -42.8738 -42.8738 -18.8228 -18.8228 -16.4561 -16.4561 -16.1951 -16.1951 14.1228 14.1228 14.7325 14.7325 18.1682 18.1682 19.8994 19.8994 21.6136 21.6136 24.8285 24.8285 28.4836 28.4836 k = 0.5000-0.1215 0.5264 ( 730 PWs) bands (ev): -42.8737 -42.8737 -18.8223 -18.8223 -16.4535 -16.4535 -16.1990 -16.1990 14.1764 14.1764 14.7940 14.7940 18.0331 18.0331 19.8095 19.8095 21.6137 21.6137 24.9884 24.9884 28.4563 28.4563 k = 0.5000-0.1140 0.5318 ( 720 PWs) bands (ev): -42.8733 -42.8733 -18.8216 -18.8216 -16.4507 -16.4507 -16.2028 -16.2028 14.2304 14.2304 14.8583 14.8583 17.8997 17.8997 19.7200 19.7200 21.6138 21.6138 25.1471 25.1471 28.4312 28.4312 k = 0.5000-0.1064 0.5372 ( 720 PWs) bands (ev): -42.8733 -42.8733 -18.8211 -18.8211 -16.4481 -16.4481 -16.2068 -16.2068 14.2845 14.2845 14.9252 14.9252 17.7680 17.7680 19.6316 19.6316 21.6138 21.6138 25.3044 25.3044 28.4080 28.4080 k = 0.5000-0.0988 0.5425 ( 718 PWs) bands (ev): -42.8732 -42.8732 -18.8206 -18.8206 -16.4454 -16.4454 -16.2107 -16.2107 14.3382 14.3382 14.9947 14.9947 17.6381 17.6381 19.5449 19.5449 21.6139 21.6139 25.4603 25.4603 28.3868 28.3868 k = 0.5000-0.0912 0.5479 ( 718 PWs) bands (ev): -42.8732 -42.8732 -18.8202 -18.8202 -16.4428 -16.4428 -16.2145 -16.2145 14.3910 14.3910 15.0668 15.0668 17.5100 17.5100 19.4606 19.4606 21.6140 21.6140 25.6145 25.6145 28.3673 28.3673 k = 0.5000-0.0836 0.5533 ( 718 PWs) bands (ev): -42.8732 -42.8732 -18.8198 -18.8198 -16.4402 -16.4402 -16.2182 -16.2182 14.4426 14.4426 15.1415 15.1415 17.3837 17.3837 19.3793 19.3793 21.6141 21.6141 25.7669 25.7669 28.3489 28.3489 k = 0.5000-0.0760 0.5587 ( 726 PWs) bands (ev): -42.8735 -42.8735 -18.8195 -18.8195 -16.4379 -16.4379 -16.2219 -16.2219 14.4924 14.4924 15.2188 15.2188 17.2593 17.2593 19.3017 19.3017 21.6142 21.6142 25.9174 25.9174 28.3264 28.3264 k = 0.5000-0.0684 0.5640 ( 726 PWs) bands (ev): -42.8735 -42.8735 -18.8192 -18.8192 -16.4355 -16.4355 -16.2253 -16.2253 14.5399 14.5399 15.2986 15.2986 17.1369 17.1369 19.2285 19.2285 21.6143 21.6143 26.0657 26.0657 28.2617 28.2617 k = 0.5000-0.0608 0.5694 ( 726 PWs) bands (ev): -42.8735 -42.8735 -18.8188 -18.8188 -16.4332 -16.4332 -16.2284 -16.2284 14.5846 14.5846 15.3810 15.3810 17.0164 17.0164 19.1604 19.1604 21.6143 21.6143 26.2116 26.2116 28.1754 28.1754 k = 0.5000-0.0532 0.5748 ( 726 PWs) bands (ev): -42.8735 -42.8735 -18.8185 -18.8185 -16.4312 -16.4312 -16.2314 -16.2314 14.6258 14.6258 15.4658 15.4658 16.8979 16.8979 19.0983 19.0983 21.6144 21.6144 26.3549 26.3549 28.0836 28.0836 k = 0.5000-0.0456 0.5801 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8182 -18.8182 -16.4292 -16.4292 -16.2339 -16.2339 14.6630 14.6630 15.5530 15.5530 16.7814 16.7814 19.0426 19.0426 21.6145 21.6145 26.4953 26.4953 27.9879 27.9879 k = 0.5000-0.0380 0.5855 ( 720 PWs) bands (ev): -42.8732 -42.8732 -18.8180 -18.8180 -16.4275 -16.4275 -16.2361 -16.2361 14.6956 14.6956 15.6427 15.6427 16.6670 16.6670 18.9942 18.9942 21.6145 21.6145 26.6324 26.6324 27.8887 27.8887 k = 0.5000-0.0304 0.5909 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8178 -18.8178 -16.4261 -16.4261 -16.2382 -16.2382 14.7231 14.7231 15.7348 15.7348 16.5547 16.5547 18.9536 18.9536 21.6146 21.6146 26.7654 26.7654 27.7867 27.7867 k = 0.5000-0.0228 0.5963 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8177 -18.8177 -16.4250 -16.4250 -16.2397 -16.2397 14.7451 14.7451 15.8292 15.8292 16.4445 16.4445 18.9214 18.9214 21.6146 21.6146 26.8931 26.8931 27.6833 27.6833 k = 0.5000-0.0152 0.6016 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8176 -18.8176 -16.4242 -16.4242 -16.2408 -16.2408 14.7611 14.7611 15.9258 15.9258 16.3366 16.3366 18.8981 18.8981 21.6147 21.6147 27.0122 27.0122 27.5814 27.5814 k = 0.5000-0.0076 0.6070 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8175 -18.8175 -16.4237 -16.4237 -16.2415 -16.2415 14.7708 14.7708 16.0246 16.0246 16.2311 16.2311 18.8840 18.8840 21.6147 21.6147 27.1128 27.1128 27.4912 27.4912 k = 0.5000 0.0000 0.6124 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8175 -18.8175 -16.4235 -16.4235 -16.2417 -16.2417 14.7741 14.7741 16.1143 16.1143 16.1391 16.1391 18.8792 18.8792 21.6147 21.6147 27.1598 27.1598 27.4477 27.4477 k = 0.5000 0.0000 0.6124 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8175 -18.8175 -16.4235 -16.4235 -16.2417 -16.2417 14.7741 14.7741 16.1143 16.1143 16.1391 16.1391 18.8792 18.8792 21.6147 21.6147 27.1598 27.1598 27.4477 27.4477 k = 0.4954 0.0080 0.6124 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8175 -18.8175 -16.4236 -16.4236 -16.2415 -16.2415 14.7732 14.7732 16.0534 16.0534 16.2005 16.2005 18.8819 18.8819 21.6127 21.6127 27.1339 27.1339 27.4580 27.4580 k = 0.4907 0.0160 0.6124 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8174 -18.8174 -16.4240 -16.4240 -16.2407 -16.2407 14.7704 14.7704 15.9819 15.9819 16.2739 16.2739 18.8896 18.8896 21.6067 21.6067 27.0787 27.0787 27.4633 27.4633 k = 0.4861 0.0241 0.6124 ( 724 PWs) bands (ev): -42.8735 -42.8735 -18.8173 -18.8173 -16.4246 -16.4246 -16.2395 -16.2395 14.7657 14.7657 15.9106 15.9106 16.3486 16.3486 18.9023 18.9023 21.5967 21.5967 27.0144 27.0144 27.4452 27.4452 k = 0.4815 0.0321 0.6124 ( 724 PWs) bands (ev): -42.8736 -42.8736 -18.8172 -18.8172 -16.4254 -16.4254 -16.2378 -16.2378 14.7590 14.7590 15.8405 15.8405 16.4242 16.4242 18.9194 18.9194 21.5827 21.5827 26.9485 26.9485 27.4039 27.4039 k = 0.4769 0.0401 0.6124 ( 725 PWs) bands (ev): -42.8738 -42.8738 -18.8170 -18.8170 -16.4264 -16.4264 -16.2357 -16.2357 14.7503 14.7503 15.7720 15.7720 16.5006 16.5006 18.9407 18.9407 21.5650 21.5650 26.8836 26.8836 27.3451 27.3451 k = 0.4722 0.0481 0.6124 ( 725 PWs) bands (ev): -42.8740 -42.8740 -18.8169 -18.8169 -16.4277 -16.4277 -16.2331 -16.2331 14.7395 14.7395 15.7058 15.7058 16.5774 16.5774 18.9658 18.9658 21.5435 21.5435 26.8211 26.8211 27.2746 27.2746 k = 0.4676 0.0561 0.6124 ( 725 PWs) bands (ev): -42.8742 -42.8742 -18.8167 -18.8167 -16.4291 -16.4291 -16.2303 -16.2303 14.7266 14.7266 15.6423 15.6423 16.6545 16.6545 18.9942 18.9942 21.5185 21.5185 26.7613 26.7613 27.1964 27.1964 k = 0.4630 0.0642 0.6124 ( 721 PWs) bands (ev): -42.8742 -42.8742 -18.8164 -18.8164 -16.4306 -16.4306 -16.2272 -16.2272 14.7115 14.7115 15.5819 15.5819 16.7317 16.7317 19.0256 19.0256 21.4902 21.4902 26.7045 26.7045 27.1135 27.1135 k = 0.4583 0.0722 0.6124 ( 721 PWs) bands (ev): -42.8744 -42.8744 -18.8162 -18.8162 -16.4322 -16.4322 -16.2239 -16.2239 14.6943 14.6943 15.5251 15.5251 16.8087 16.8087 19.0594 19.0594 21.4588 21.4588 26.6508 26.6508 27.0281 27.0281 k = 0.4537 0.0802 0.6124 ( 721 PWs) bands (ev): -42.8746 -42.8746 -18.8160 -18.8160 -16.4339 -16.4339 -16.2204 -16.2204 14.6750 14.6750 15.4721 15.4721 16.8853 16.8853 19.0953 19.0953 21.4246 21.4246 26.5999 26.5999 26.9418 26.9418 k = 0.4491 0.0882 0.6124 ( 721 PWs) bands (ev): -42.8748 -42.8748 -18.8158 -18.8158 -16.4357 -16.4357 -16.2169 -16.2169 14.6539 14.6539 15.4233 15.4233 16.9611 16.9611 19.1327 19.1327 21.3880 21.3880 26.5517 26.5517 26.8562 26.8562 k = 0.4444 0.0962 0.6124 ( 721 PWs) bands (ev): -42.8751 -42.8751 -18.8156 -18.8156 -16.4375 -16.4375 -16.2133 -16.2133 14.6310 14.6310 15.3787 15.3787 17.0359 17.0359 19.1713 19.1713 21.3494 21.3494 26.5057 26.5057 26.7727 26.7727 k = 0.4398 0.1042 0.6124 ( 722 PWs) bands (ev): -42.8753 -42.8753 -18.8155 -18.8155 -16.4393 -16.4393 -16.2097 -16.2097 14.6067 14.6067 15.3384 15.3384 17.1093 17.1093 19.2104 19.2104 21.3092 21.3092 26.4611 26.4611 26.6927 26.6927 k = 0.4352 0.1123 0.6124 ( 722 PWs) bands (ev): -42.8756 -42.8756 -18.8153 -18.8153 -16.4410 -16.4410 -16.2061 -16.2061 14.5815 14.5815 15.3023 15.3023 17.1810 17.1810 19.2496 19.2496 21.2678 21.2678 26.4169 26.4169 26.6180 26.6180 k = 0.4306 0.1203 0.6124 ( 720 PWs) bands (ev): -42.8757 -42.8757 -18.8151 -18.8151 -16.4427 -16.4427 -16.2026 -16.2026 14.5556 14.5556 15.2703 15.2703 17.2504 17.2504 19.2885 19.2885 21.2258 21.2258 26.3717 26.3717 26.5507 26.5507 k = 0.4259 0.1283 0.6124 ( 722 PWs) bands (ev): -42.8760 -42.8760 -18.8149 -18.8149 -16.4444 -16.4444 -16.1993 -16.1993 14.5296 14.5296 15.2420 15.2420 17.3172 17.3172 19.3266 19.3266 21.1838 21.1838 26.3239 26.3239 26.4928 26.4928 k = 0.4213 0.1363 0.6124 ( 720 PWs) bands (ev): -42.8761 -42.8761 -18.8147 -18.8147 -16.4459 -16.4459 -16.1960 -16.1960 14.5040 14.5040 15.2174 15.2174 17.3809 17.3809 19.3633 19.3633 21.1423 21.1423 26.2731 26.2731 26.4453 26.4453 k = 0.4167 0.1443 0.6124 ( 720 PWs) bands (ev): -42.8763 -42.8763 -18.8146 -18.8146 -16.4473 -16.4473 -16.1930 -16.1930 14.4793 14.4793 15.1960 15.1960 17.4410 17.4410 19.3982 19.3982 21.1019 21.1019 26.2207 26.2207 26.4072 26.4072 k = 0.4120 0.1524 0.6124 ( 720 PWs) bands (ev): -42.8765 -42.8765 -18.8145 -18.8145 -16.4487 -16.4487 -16.1903 -16.1903 14.4560 14.4560 15.1776 15.1776 17.4968 17.4968 19.4309 19.4309 21.0633 21.0633 26.1687 26.1687 26.3769 26.3769 k = 0.4074 0.1604 0.6124 ( 723 PWs) bands (ev): -42.8767 -42.8767 -18.8144 -18.8144 -16.4499 -16.4499 -16.1878 -16.1878 14.4344 14.4344 15.1620 15.1620 17.5480 17.5480 19.4609 19.4609 21.0272 21.0272 26.1194 26.1194 26.3526 26.3526 k = 0.4028 0.1684 0.6124 ( 723 PWs) bands (ev): -42.8769 -42.8769 -18.8143 -18.8143 -16.4510 -16.4510 -16.1856 -16.1856 14.4149 14.4149 15.1490 15.1490 17.5938 17.5938 19.4878 19.4878 20.9943 20.9943 26.0744 26.0744 26.3329 26.3329 k = 0.3981 0.1764 0.6124 ( 725 PWs) bands (ev): -42.8771 -42.8771 -18.8143 -18.8143 -16.4519 -16.4519 -16.1837 -16.1837 14.3979 14.3979 15.1382 15.1382 17.6338 17.6338 19.5113 19.5113 20.9650 20.9650 26.0349 26.0349 26.3172 26.3172 k = 0.3935 0.1844 0.6124 ( 725 PWs) bands (ev): -42.8772 -42.8772 -18.8142 -18.8142 -16.4526 -16.4526 -16.1821 -16.1821 14.3836 14.3836 15.1296 15.1296 17.6674 17.6674 19.5309 19.5309 20.9402 20.9402 26.0016 26.0016 26.3048 26.3048 k = 0.3889 0.1925 0.6124 ( 721 PWs) bands (ev): -42.8771 -42.8771 -18.8141 -18.8141 -16.4532 -16.4532 -16.1807 -16.1807 14.3723 14.3723 15.1231 15.1231 17.6941 17.6941 19.5465 19.5465 20.9202 20.9202 25.9752 25.9752 26.2954 26.2954 k = 0.3843 0.2005 0.6124 ( 721 PWs) bands (ev): -42.8771 -42.8771 -18.8140 -18.8140 -16.4536 -16.4536 -16.1798 -16.1798 14.3641 14.3641 15.1185 15.1185 17.7134 17.7134 19.5579 19.5579 20.9056 20.9056 25.9560 25.9560 26.2888 26.2888 k = 0.3796 0.2085 0.6124 ( 721 PWs) bands (ev): -42.8772 -42.8772 -18.8140 -18.8140 -16.4539 -16.4539 -16.1793 -16.1793 14.3592 14.3592 15.1157 15.1157 17.7252 17.7252 19.5647 19.5647 20.8967 20.8967 25.9444 25.9444 26.2850 26.2850 k = 0.3750 0.2165 0.6124 ( 724 PWs) bands (ev): -42.8773 -42.8773 -18.8141 -18.8141 -16.4540 -16.4540 -16.1792 -16.1792 14.3575 14.3575 15.1148 15.1148 17.7291 17.7291 19.5670 19.5670 20.8937 20.8937 25.9405 25.9405 26.2837 26.2837 k = 0.3750 0.2165 0.6124 ( 724 PWs) bands (ev): -42.8773 -42.8773 -18.8141 -18.8141 -16.4540 -16.4540 -16.1792 -16.1792 14.3575 14.3575 15.1148 15.1148 17.7291 17.7291 19.5670 19.5670 20.8937 20.8937 25.9405 25.9405 26.2837 26.2837 k = 0.3704 0.2138 0.6048 ( 724 PWs) bands (ev): -42.8779 -42.8779 -18.8127 -18.8127 -16.4527 -16.4527 -16.1780 -16.1780 14.4101 14.4101 15.1768 15.1768 17.6299 17.6299 19.4936 19.4936 20.8432 20.8432 25.8128 25.8128 26.4700 26.4700 k = 0.3657 0.2112 0.5973 ( 724 PWs) bands (ev): -42.8785 -42.8785 -18.8112 -18.8112 -16.4515 -16.4515 -16.1763 -16.1763 14.4634 14.4634 15.2376 15.2376 17.5334 17.5334 19.4213 19.4213 20.7913 20.7913 25.6819 25.6819 26.6629 26.6629 k = 0.3611 0.2085 0.5897 ( 724 PWs) bands (ev): -42.8792 -42.8792 -18.8097 -18.8097 -16.4502 -16.4502 -16.1743 -16.1743 14.5174 14.5174 15.2971 15.2971 17.4397 17.4397 19.3504 19.3504 20.7382 20.7382 25.5525 25.5525 26.8579 26.8579 k = 0.3565 0.2058 0.5821 ( 720 PWs) bands (ev): -42.8798 -42.8798 -18.8080 -18.8080 -16.4489 -16.4489 -16.1718 -16.1718 14.5721 14.5721 15.3547 15.3547 17.3487 17.3487 19.2808 19.2808 20.6839 20.6839 25.4255 25.4255 27.0540 27.0540 k = 0.3519 0.2031 0.5746 ( 720 PWs) bands (ev): -42.8806 -42.8806 -18.8062 -18.8062 -16.4475 -16.4475 -16.1689 -16.1689 14.6272 14.6272 15.4101 15.4101 17.2606 17.2606 19.2129 19.2129 20.6285 20.6285 25.3012 25.3012 27.2509 27.2509 k = 0.3472 0.2005 0.5670 ( 720 PWs) bands (ev): -42.8815 -42.8815 -18.8043 -18.8043 -16.4461 -16.4461 -16.1657 -16.1657 14.6829 14.6829 15.4630 15.4630 17.1753 17.1753 19.1466 19.1466 20.5720 20.5720 25.1797 25.1797 27.4483 27.4483 k = 0.3426 0.1978 0.5595 ( 720 PWs) bands (ev): -42.8824 -42.8824 -18.8023 -18.8023 -16.4446 -16.4446 -16.1620 -16.1620 14.7388 14.7388 15.5129 15.5129 17.0928 17.0928 19.0821 19.0821 20.5145 20.5145 25.0609 25.0609 27.6461 27.6461 k = 0.3380 0.1951 0.5519 ( 716 PWs) bands (ev): -42.8833 -42.8833 -18.8001 -18.8001 -16.4429 -16.4429 -16.1580 -16.1580 14.7948 14.7948 15.5598 15.5598 17.0133 17.0133 19.0195 19.0195 20.4560 20.4560 24.9449 24.9449 27.8443 27.8443 k = 0.3333 0.1925 0.5443 ( 718 PWs) bands (ev): -42.8845 -42.8845 -18.7978 -18.7978 -16.4411 -16.4411 -16.1536 -16.1536 14.8507 14.8507 15.6032 15.6032 16.9366 16.9366 18.9589 18.9589 20.3966 20.3966 24.8313 24.8313 28.0427 28.0427 k = 0.3287 0.1898 0.5368 ( 718 PWs) bands (ev): -42.8857 -42.8857 -18.7954 -18.7954 -16.4391 -16.4391 -16.1490 -16.1490 14.9062 14.9062 15.6431 15.6431 16.8628 16.8628 18.9003 18.9003 20.3364 20.3364 24.7199 24.7199 28.2412 28.2412 k = 0.3241 0.1871 0.5292 ( 718 PWs) bands (ev): -42.8870 -42.8870 -18.7928 -18.7928 -16.4369 -16.4369 -16.1440 -16.1440 14.9611 14.9611 15.6796 15.6796 16.7920 16.7920 18.8438 18.8438 20.2755 20.2755 24.6105 24.6105 28.4397 28.4397 k = 0.3194 0.1844 0.5217 ( 718 PWs) bands (ev): -42.8883 -42.8883 -18.7900 -18.7900 -16.4345 -16.4345 -16.1387 -16.1387 15.0147 15.0147 15.7126 15.7126 16.7241 16.7241 18.7896 18.7896 20.2138 20.2138 24.5027 24.5027 28.6381 28.6381 k = 0.3148 0.1818 0.5141 ( 718 PWs) bands (ev): -42.8897 -42.8897 -18.7871 -18.7871 -16.4318 -16.4318 -16.1332 -16.1332 15.0666 15.0666 15.7426 15.7426 16.6592 16.6592 18.7376 18.7376 20.1515 20.1515 24.3961 24.3961 28.8361 28.8361 k = 0.3102 0.1791 0.5065 ( 722 PWs) bands (ev): -42.8914 -42.8914 -18.7840 -18.7840 -16.4289 -16.4289 -16.1276 -16.1276 15.1159 15.1159 15.7700 15.7700 16.5972 16.5972 18.6879 18.6879 20.0886 20.0886 24.2903 24.2903 29.0329 29.0329 k = 0.3056 0.1764 0.4990 ( 722 PWs) bands (ev): -42.8931 -42.8931 -18.7807 -18.7807 -16.4257 -16.4257 -16.1216 -16.1216 15.1618 15.1618 15.7955 15.7955 16.5382 16.5382 18.6407 18.6407 20.0251 20.0251 24.1849 24.1849 29.2240 29.2240 k = 0.3009 0.1737 0.4914 ( 722 PWs) bands (ev): -42.8948 -42.8948 -18.7771 -18.7771 -16.4221 -16.4221 -16.1154 -16.1154 15.2030 15.2030 15.8202 15.8202 16.4822 16.4822 18.5958 18.5958 19.9612 19.9612 24.0794 24.0794 29.3434 29.3434 k = 0.2963 0.1711 0.4838 ( 728 PWs) bands (ev): -42.8968 -42.8968 -18.7735 -18.7735 -16.4183 -16.4183 -16.1090 -16.1090 15.2382 15.2382 15.8453 15.8453 16.4292 16.4292 18.5534 18.5534 19.8969 19.8969 23.9734 23.9734 29.3729 29.3729 k = 0.2917 0.1684 0.4763 ( 728 PWs) bands (ev): -42.8987 -42.8987 -18.7695 -18.7695 -16.4141 -16.4141 -16.1025 -16.1025 15.2659 15.2659 15.8722 15.8722 16.3792 16.3792 18.5135 18.5135 19.8323 19.8323 23.8666 23.8666 29.4019 29.4019 k = 0.2870 0.1657 0.4687 ( 728 PWs) bands (ev): -42.9006 -42.9006 -18.7653 -18.7653 -16.4095 -16.4095 -16.0958 -16.0958 15.2847 15.2847 15.9023 15.9023 16.3321 16.3321 18.4761 18.4761 19.7674 19.7674 23.7586 23.7586 29.4380 29.4380 k = 0.2824 0.1630 0.4612 ( 728 PWs) bands (ev): -42.9027 -42.9027 -18.7609 -18.7609 -16.4045 -16.4045 -16.0889 -16.0889 15.2937 15.2937 15.9365 15.9365 16.2881 16.2881 18.4412 18.4412 19.7023 19.7023 23.6490 23.6490 29.4822 29.4822 k = 0.2778 0.1604 0.4536 ( 724 PWs) bands (ev): -42.9046 -42.9046 -18.7562 -18.7562 -16.3990 -16.3990 -16.0819 -16.0819 15.2923 15.2923 15.9756 15.9756 16.2470 16.2470 18.4090 18.4090 19.6370 19.6370 23.5376 23.5376 29.5348 29.5348 k = 0.2731 0.1577 0.4460 ( 724 PWs) bands (ev): -42.9069 -42.9069 -18.7513 -18.7513 -16.3933 -16.3933 -16.0749 -16.0749 15.2806 15.2806 16.0194 16.0194 16.2089 16.2089 18.3793 18.3793 19.5716 19.5716 23.4242 23.4242 29.5955 29.5955 k = 0.2685 0.1550 0.4385 ( 724 PWs) bands (ev): -42.9092 -42.9092 -18.7462 -18.7462 -16.3872 -16.3872 -16.0678 -16.0678 15.2591 15.2591 16.0675 16.0675 16.1738 16.1738 18.3522 18.3522 19.5062 19.5062 23.3088 23.3088 29.6641 29.6641 k = 0.2639 0.1524 0.4309 ( 728 PWs) bands (ev): -42.9118 -42.9118 -18.7410 -18.7410 -16.3807 -16.3807 -16.0606 -16.0606 15.2286 15.2286 16.1193 16.1193 16.1418 16.1418 18.3277 18.3277 19.4409 19.4409 23.1911 23.1911 29.7401 29.7401 k = 0.2593 0.1497 0.4234 ( 720 PWs) bands (ev): -42.9139 -42.9139 -18.7352 -18.7352 -16.3736 -16.3736 -16.0532 -16.0532 15.1899 15.1899 16.1122 16.1122 16.1746 16.1746 18.3058 18.3058 19.3756 19.3756 23.0713 23.0713 29.8231 29.8231 k = 0.2546 0.1470 0.4158 ( 716 PWs) bands (ev): -42.9163 -42.9163 -18.7293 -18.7293 -16.3662 -16.3662 -16.0459 -16.0459 15.1438 15.1438 16.0860 16.0860 16.2320 16.2320 18.2865 18.2865 19.3105 19.3105 22.9494 22.9494 29.9122 29.9122 k = 0.2500 0.1443 0.4082 ( 716 PWs) bands (ev): -42.9189 -42.9189 -18.7233 -18.7233 -16.3585 -16.3585 -16.0386 -16.0386 15.0911 15.0911 16.0626 16.0626 16.2912 16.2912 18.2699 18.2699 19.2455 19.2455 22.8255 22.8255 30.0065 30.0065 k = 0.2454 0.1417 0.4007 ( 716 PWs) bands (ev): -42.9216 -42.9216 -18.7170 -18.7170 -16.3503 -16.3503 -16.0313 -16.0313 15.0324 15.0324 16.0422 16.0422 16.3517 16.3517 18.2558 18.2558 19.1809 19.1809 22.6999 22.6999 30.1051 30.1051 k = 0.2407 0.1390 0.3931 ( 730 PWs) bands (ev): -42.9250 -42.9250 -18.7107 -18.7107 -16.3420 -16.3420 -16.0241 -16.0241 14.9685 14.9685 16.0246 16.0246 16.4131 16.4131 18.2443 18.2443 19.1166 19.1166 22.5727 22.5727 30.2070 30.2070 k = 0.2361 0.1363 0.3856 ( 730 PWs) bands (ev): -42.9279 -42.9279 -18.7039 -18.7039 -16.3331 -16.3331 -16.0168 -16.0168 14.8998 14.8998 16.0099 16.0099 16.4750 16.4750 18.2353 18.2353 19.0526 19.0526 22.4441 22.4441 30.3110 30.3110 k = 0.2315 0.1336 0.3780 ( 730 PWs) bands (ev): -42.9309 -42.9309 -18.6969 -18.6969 -16.3237 -16.3237 -16.0096 -16.0096 14.8268 14.8268 15.9980 15.9980 16.5371 16.5371 18.2289 18.2289 18.9891 18.9891 22.3145 22.3145 30.4162 30.4162 k = 0.2269 0.1310 0.3704 ( 730 PWs) bands (ev): -42.9339 -42.9339 -18.6897 -18.6897 -16.3140 -16.3140 -16.0023 -16.0023 14.7500 14.7500 15.9890 15.9890 16.5991 16.5991 18.2250 18.2250 18.9261 18.9261 22.1842 22.1842 30.5214 30.5214 k = 0.2222 0.1283 0.3629 ( 730 PWs) bands (ev): -42.9369 -42.9369 -18.6823 -18.6823 -16.3039 -16.3039 -15.9951 -15.9951 14.6698 14.6698 15.9826 15.9826 16.6607 16.6607 18.2235 18.2235 18.8637 18.8637 22.0534 22.0534 30.6257 30.6257 k = 0.2176 0.1256 0.3553 ( 730 PWs) bands (ev): -42.9401 -42.9401 -18.6747 -18.6747 -16.2935 -16.2935 -15.9880 -15.9880 14.5865 14.5865 15.9791 15.9791 16.7218 16.7218 18.2244 18.2244 18.8019 18.8019 21.9225 21.9225 30.7283 30.7283 k = 0.2130 0.1230 0.3478 ( 730 PWs) bands (ev): -42.9433 -42.9433 -18.6669 -18.6669 -16.2827 -16.2827 -15.9809 -15.9809 14.5006 14.5006 15.9782 15.9782 16.7821 16.7821 18.2277 18.2277 18.7409 18.7409 21.7919 21.7919 30.8286 30.8286 k = 0.2083 0.1203 0.3402 ( 728 PWs) bands (ev): -42.9464 -42.9464 -18.6589 -18.6589 -16.2715 -16.2715 -15.9738 -15.9738 14.4123 14.4123 15.9799 15.9799 16.8413 16.8413 18.2332 18.2332 18.6806 18.6806 21.6618 21.6618 30.9262 30.9262 k = 0.2037 0.1176 0.3326 ( 728 PWs) bands (ev): -42.9497 -42.9497 -18.6508 -18.6508 -16.2601 -16.2601 -15.9669 -15.9669 14.3219 14.3219 15.9842 15.9842 16.8994 16.8994 18.2409 18.2409 18.6213 18.6213 21.5327 21.5327 31.0208 31.0208 k = 0.1991 0.1149 0.3251 ( 728 PWs) bands (ev): -42.9530 -42.9530 -18.6425 -18.6425 -16.2483 -16.2483 -15.9601 -15.9601 14.2298 14.2298 15.9911 15.9911 16.9560 16.9560 18.2505 18.2505 18.5631 18.5631 21.4049 21.4049 31.1125 31.1125 k = 0.1944 0.1123 0.3175 ( 728 PWs) bands (ev): -42.9564 -42.9564 -18.6341 -18.6341 -16.2363 -16.2363 -15.9533 -15.9533 14.1362 14.1362 16.0005 16.0005 17.0110 17.0110 18.2617 18.2617 18.5064 18.5064 21.2786 21.2786 31.2015 31.2015 k = 0.1898 0.1096 0.3100 ( 728 PWs) bands (ev): -42.9598 -42.9598 -18.6256 -18.6256 -16.2239 -16.2239 -15.9466 -15.9466 14.0413 14.0413 16.0122 16.0122 17.0642 17.0642 18.2736 18.2736 18.4520 18.4520 21.1544 21.1544 31.2880 31.2880 k = 0.1852 0.1069 0.3024 ( 732 PWs) bands (ev): -42.9634 -42.9634 -18.6171 -18.6171 -16.2114 -16.2114 -15.9402 -15.9402 13.9455 13.9455 16.0263 16.0263 17.1154 17.1154 18.2836 18.2836 18.4026 18.4026 21.0324 21.0324 31.3727 31.3727 k = 0.1806 0.1042 0.2948 ( 732 PWs) bands (ev): -42.9668 -42.9668 -18.6083 -18.6083 -16.1985 -16.1985 -15.9337 -15.9337 13.8489 13.8489 16.0427 16.0427 17.1643 17.1643 18.2819 18.2819 18.3678 18.3678 20.9131 20.9131 31.4559 31.4559 k = 0.1759 0.1016 0.2873 ( 732 PWs) bands (ev): -42.9703 -42.9703 -18.5996 -18.5996 -16.1854 -16.1854 -15.9274 -15.9274 13.7518 13.7518 16.0613 16.0613 17.2108 17.2108 18.2534 18.2534 18.3628 18.3628 20.7967 20.7967 31.5383 31.5383 k = 0.1713 0.0989 0.2797 ( 732 PWs) bands (ev): -42.9737 -42.9737 -18.5907 -18.5907 -16.1722 -16.1722 -15.9212 -15.9212 13.6544 13.6544 16.0820 16.0820 17.2546 17.2546 18.2088 18.2088 18.3770 18.3770 20.6837 20.6837 31.6205 31.6205 k = 0.1667 0.0962 0.2722 ( 732 PWs) bands (ev): -42.9772 -42.9772 -18.5819 -18.5819 -16.1587 -16.1587 -15.9151 -15.9151 13.5569 13.5569 16.1048 16.1048 17.2956 17.2956 18.1600 18.1600 18.3982 18.3982 20.5742 20.5742 31.7028 31.7028 k = 0.1620 0.0936 0.2646 ( 732 PWs) bands (ev): -42.9807 -42.9807 -18.5730 -18.5730 -16.1451 -16.1451 -15.9092 -15.9092 13.4595 13.4595 16.1295 16.1295 17.3334 17.3334 18.1107 18.1107 18.4228 18.4228 20.4687 20.4687 31.7859 31.7860 k = 0.1574 0.0909 0.2570 ( 732 PWs) bands (ev): -42.9841 -42.9841 -18.5641 -18.5641 -16.1314 -16.1314 -15.9034 -15.9034 13.3624 13.3624 16.1560 16.1560 17.3679 17.3679 18.0619 18.0619 18.4498 18.4498 20.3675 20.3675 31.8703 31.8703 k = 0.1528 0.0882 0.2495 ( 724 PWs) bands (ev): -42.9872 -42.9872 -18.5551 -18.5551 -16.1174 -16.1174 -15.8976 -15.8976 13.2659 13.2659 16.1843 16.1843 17.3988 17.3988 18.0139 18.0139 18.4788 18.4788 20.2709 20.2709 31.9565 31.9565 k = 0.1481 0.0855 0.2419 ( 728 PWs) bands (ev): -42.9908 -42.9908 -18.5464 -18.5464 -16.1036 -16.1036 -15.8921 -15.8921 13.1700 13.1700 16.2142 16.2142 17.4259 17.4259 17.9672 17.9672 18.5093 18.5093 20.1790 20.1790 32.0446 32.0446 k = 0.1435 0.0829 0.2344 ( 724 PWs) bands (ev): -42.9940 -42.9940 -18.5375 -18.5375 -16.0895 -16.0895 -15.8867 -15.8867 13.0750 13.0750 16.2456 16.2456 17.4489 17.4489 17.9217 17.9217 18.5413 18.5413 20.0923 20.0923 32.1350 32.1350 k = 0.1389 0.0802 0.2268 ( 724 PWs) bands (ev): -42.9974 -42.9974 -18.5289 -18.5289 -16.0755 -16.0755 -15.8815 -15.8815 12.9810 12.9810 16.2784 16.2784 17.4676 17.4676 17.8777 17.8777 18.5746 18.5746 20.0110 20.0110 32.2280 32.2280 k = 0.1343 0.0775 0.2192 ( 724 PWs) bands (ev): -43.0007 -43.0007 -18.5203 -18.5203 -16.0615 -16.0615 -15.8765 -15.8765 12.8883 12.8883 16.3125 16.3125 17.4819 17.4819 17.8354 17.8354 18.6089 18.6089 19.9351 19.9351 32.3240 32.3240 k = 0.1296 0.0748 0.2117 ( 736 PWs) bands (ev): -43.0046 -43.0046 -18.5120 -18.5120 -16.0477 -16.0477 -15.8718 -15.8718 12.7969 12.7969 16.3477 16.3477 17.4914 17.4914 17.7948 17.7948 18.6442 18.6442 19.8650 19.8650 32.4229 32.4229 k = 0.1250 0.0722 0.2041 ( 737 PWs) bands (ev): -43.0078 -43.0078 -18.5037 -18.5037 -16.0339 -16.0339 -15.8670 -15.8670 12.7071 12.7071 16.3840 16.3840 17.4961 17.4961 17.7561 17.7561 18.6804 18.6804 19.8007 19.8007 32.5250 32.5250 k = 0.1204 0.0695 0.1966 ( 725 PWs) bands (ev): -43.0105 -43.0105 -18.4953 -18.4953 -16.0198 -16.0198 -15.8624 -15.8624 12.6190 12.6190 16.4210 16.4210 17.4959 17.4959 17.7195 17.7195 18.7172 18.7172 19.7422 19.7422 32.6305 32.6305 k = 0.1157 0.0668 0.1890 ( 725 PWs) bands (ev): -43.0136 -43.0136 -18.4873 -18.4873 -16.0062 -16.0062 -15.8580 -15.8580 12.5328 12.5328 16.4588 16.4588 17.4907 17.4907 17.6851 17.6851 18.7546 18.7546 19.6895 19.6895 32.7389 32.7389 k = 0.1111 0.0642 0.1814 ( 719 PWs) bands (ev): -43.0164 -43.0164 -18.4794 -18.4794 -15.9927 -15.9927 -15.8536 -15.8536 12.4486 12.4486 16.4971 16.4971 17.4807 17.4807 17.6529 17.6529 18.7923 18.7923 19.6425 19.6425 32.6424 32.6424 k = 0.1065 0.0615 0.1739 ( 719 PWs) bands (ev): -43.0194 -43.0194 -18.4717 -18.4717 -15.9794 -15.9794 -15.8495 -15.8495 12.3666 12.3666 16.5358 16.5358 17.4665 17.4665 17.6227 17.6227 18.8302 18.8302 19.6010 19.6010 32.5216 32.5216 k = 0.1019 0.0588 0.1663 ( 719 PWs) bands (ev): -43.0223 -43.0223 -18.4643 -18.4643 -15.9663 -15.9663 -15.8456 -15.8456 12.2869 12.2869 16.5747 16.5747 17.4485 17.4485 17.5942 17.5942 18.8682 18.8682 19.5648 19.5648 32.4013 32.4013 k = 0.0972 0.0561 0.1588 ( 719 PWs) bands (ev): -43.0251 -43.0251 -18.4571 -18.4571 -15.9536 -15.9536 -15.8419 -15.8419 12.2097 12.2097 16.6136 16.6136 17.4278 17.4278 17.5669 17.5669 18.9061 18.9061 19.5335 19.5335 32.2823 32.2823 k = 0.0926 0.0535 0.1512 ( 719 PWs) bands (ev): -43.0278 -43.0278 -18.4502 -18.4502 -15.9411 -15.9411 -15.8383 -15.8383 12.1351 12.1351 16.6524 16.6524 17.4051 17.4051 17.5403 17.5403 18.9438 18.9438 19.5067 19.5067 32.1649 32.1649 k = 0.0880 0.0508 0.1436 ( 719 PWs) bands (ev): -43.0304 -43.0304 -18.4435 -18.4435 -15.9290 -15.9290 -15.8349 -15.8349 12.0632 12.0632 16.6908 16.6908 17.3814 17.3814 17.5142 17.5142 18.9811 18.9811 19.4842 19.4842 32.0499 32.0499 k = 0.0833 0.0481 0.1361 ( 719 PWs) bands (ev): -43.0329 -43.0329 -18.4370 -18.4370 -15.9172 -15.9172 -15.8317 -15.8317 11.9942 11.9942 16.7286 16.7286 17.3571 17.3571 17.4882 17.4882 19.0177 19.0177 19.4653 19.4653 31.9377 31.9377 k = 0.0787 0.0454 0.1285 ( 721 PWs) bands (ev): -43.0355 -43.0355 -18.4309 -18.4309 -15.9059 -15.9059 -15.8287 -15.8287 11.9281 11.9281 16.7658 16.7658 17.3329 17.3329 17.4625 17.4625 19.0536 19.0536 19.4499 19.4499 31.8286 31.8286 k = 0.0741 0.0428 0.1210 ( 721 PWs) bands (ev): -43.0378 -43.0378 -18.4251 -18.4251 -15.8950 -15.8950 -15.8258 -15.8258 11.8652 11.8652 16.8020 16.8020 17.3092 17.3092 17.4370 17.4370 19.0886 19.0886 19.4374 19.4374 31.7234 31.7234 k = 0.0694 0.0401 0.1134 ( 725 PWs) bands (ev): -43.0401 -43.0401 -18.4196 -18.4196 -15.8847 -15.8847 -15.8231 -15.8231 11.8054 11.8054 16.8370 16.8370 17.2861 17.2861 17.4119 17.4119 19.1225 19.1225 19.4274 19.4274 31.6222 31.6222 k = 0.0648 0.0374 0.1058 ( 729 PWs) bands (ev): -43.0424 -43.0424 -18.4145 -18.4145 -15.8749 -15.8749 -15.8206 -15.8206 11.7490 11.7490 16.8707 16.8707 17.2639 17.2639 17.3876 17.3876 19.1552 19.1552 19.4196 19.4196 31.5257 31.5257 k = 0.0602 0.0347 0.0983 ( 729 PWs) bands (ev): -43.0443 -43.0443 -18.4096 -18.4096 -15.8655 -15.8655 -15.8182 -15.8182 11.6960 11.6960 16.9028 16.9028 17.2426 17.2426 17.3643 17.3643 19.1865 19.1865 19.4136 19.4136 31.4340 31.4340 k = 0.0556 0.0321 0.0907 ( 729 PWs) bands (ev): -43.0461 -43.0461 -18.4050 -18.4050 -15.8567 -15.8567 -15.8160 -15.8160 11.6466 11.6466 16.9331 16.9331 17.2225 17.2225 17.3423 17.3423 19.2161 19.2161 19.4092 19.4092 31.3476 31.3476 k = 0.0509 0.0294 0.0832 ( 725 PWs) bands (ev): -43.0477 -43.0477 -18.4007 -18.4007 -15.8484 -15.8484 -15.8140 -15.8140 11.6008 11.6008 16.9613 16.9613 17.2036 17.2036 17.3218 17.3218 19.2441 19.2441 19.4060 19.4060 31.2668 31.2668 k = 0.0463 0.0267 0.0756 ( 727 PWs) bands (ev): -43.0493 -43.0493 -18.3968 -18.3968 -15.8409 -15.8409 -15.8121 -15.8121 11.5586 11.5586 16.9873 16.9873 17.1860 17.1860 17.3031 17.3031 19.2702 19.2702 19.4038 19.4038 31.1920 31.1920 k = 0.0417 0.0241 0.0680 ( 727 PWs) bands (ev): -43.0507 -43.0507 -18.3933 -18.3933 -15.8339 -15.8339 -15.8105 -15.8105 11.5202 11.5202 17.0107 17.0107 17.1698 17.1698 17.2864 17.2864 19.2943 19.2943 19.4024 19.4024 31.1233 31.1233 k = 0.0370 0.0214 0.0605 ( 727 PWs) bands (ev): -43.0520 -43.0520 -18.3901 -18.3901 -15.8277 -15.8277 -15.8090 -15.8090 11.4857 11.4857 17.0314 17.0314 17.1549 17.1549 17.2720 17.2720 19.3162 19.3162 19.4016 19.4016 31.0611 31.0611 k = 0.0324 0.0187 0.0529 ( 725 PWs) bands (ev): -43.0530 -43.0530 -18.3872 -18.3872 -15.8220 -15.8220 -15.8077 -15.8077 11.4551 11.4551 17.0491 17.0491 17.1416 17.1416 17.2601 17.2601 19.3359 19.3359 19.4012 19.4012 31.0056 31.0056 k = 0.0278 0.0160 0.0454 ( 725 PWs) bands (ev): -43.0540 -43.0540 -18.3848 -18.3848 -15.8171 -15.8171 -15.8065 -15.8065 11.4285 11.4285 17.0637 17.0637 17.1298 17.1298 17.2507 17.2507 19.3531 19.3531 19.4011 19.4011 30.9571 30.9571 k = 0.0231 0.0134 0.0378 ( 725 PWs) bands (ev): -43.0548 -43.0548 -18.3827 -18.3827 -15.8130 -15.8130 -15.8056 -15.8056 11.4058 11.4058 17.0752 17.0752 17.1197 17.1197 17.2437 17.2437 19.3679 19.3679 19.4013 19.4013 30.9157 30.9157 k = 0.0185 0.0107 0.0302 ( 725 PWs) bands (ev): -43.0555 -43.0555 -18.3810 -18.3810 -15.8095 -15.8095 -15.8048 -15.8048 11.3873 11.3873 17.0838 17.0838 17.1113 17.1113 17.2390 17.2390 19.3801 19.3801 19.4015 19.4015 30.8816 30.8816 k = 0.0139 0.0080 0.0227 ( 725 PWs) bands (ev): -43.0561 -43.0561 -18.3796 -18.3796 -15.8069 -15.8069 -15.8042 -15.8042 11.3728 11.3728 17.0897 17.0897 17.1047 17.1047 17.2362 17.2362 19.3897 19.3897 19.4017 19.4017 30.8549 30.8549 k = 0.0093 0.0053 0.0151 ( 725 PWs) bands (ev): -43.0564 -43.0564 -18.3787 -18.3787 -15.8049 -15.8049 -15.8037 -15.8037 11.3624 11.3624 17.0934 17.0934 17.0999 17.0999 17.2347 17.2347 19.3966 19.3966 19.4019 19.4019 30.8358 30.8358 k = 0.0046 0.0027 0.0076 ( 725 PWs) bands (ev): -43.0567 -43.0567 -18.3781 -18.3781 -15.8038 -15.8038 -15.8035 -15.8035 11.3562 11.3562 17.0955 17.0955 17.0971 17.0971 17.2340 17.2340 19.4008 19.4008 19.4021 19.4021 30.8243 30.8243 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -43.0568 -43.0568 -18.3779 -18.3779 -15.8034 -15.8034 -15.8034 -15.8034 11.3541 11.3541 17.0961 17.0961 17.0961 17.0961 17.2338 17.2338 19.4021 19.4021 19.4021 19.4021 30.8205 30.8205 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -43.0568 -43.0568 -18.3779 -18.3779 -15.8034 -15.8034 -15.8034 -15.8034 11.3541 11.3541 17.0961 17.0961 17.0961 17.0961 17.2338 17.2338 19.4021 19.4021 19.4021 19.4021 30.8205 30.8205 k = 0.0076 0.0044 0.0031 ( 725 PWs) bands (ev): -43.0567 -43.0567 -18.3781 -18.3781 -15.8038 -15.8038 -15.8035 -15.8035 11.3562 11.3562 17.0955 17.0955 17.0970 17.0970 17.2340 17.2340 19.4013 19.4013 19.4015 19.4015 30.8243 30.8243 k = 0.0152 0.0087 0.0062 ( 725 PWs) bands (ev): -43.0564 -43.0564 -18.3787 -18.3787 -15.8050 -15.8050 -15.8037 -15.8037 11.3625 11.3625 17.0937 17.0937 17.0997 17.0997 17.2347 17.2347 19.3990 19.3990 19.3996 19.3996 30.8359 30.8359 k = 0.0227 0.0131 0.0093 ( 725 PWs) bands (ev): -43.0561 -43.0561 -18.3797 -18.3797 -15.8070 -15.8070 -15.8040 -15.8040 11.3729 11.3729 17.0904 17.0904 17.1041 17.1041 17.2361 17.2361 19.3951 19.3951 19.3964 19.3964 30.8551 30.8551 k = 0.0303 0.0175 0.0124 ( 725 PWs) bands (ev): -43.0555 -43.0555 -18.3810 -18.3810 -15.8098 -15.8098 -15.8046 -15.8046 11.3874 11.3874 17.0852 17.0852 17.1102 17.1102 17.2387 17.2387 19.3896 19.3896 19.3920 19.3920 30.8818 30.8818 k = 0.0379 0.0219 0.0155 ( 725 PWs) bands (ev): -43.0548 -43.0548 -18.3827 -18.3827 -15.8134 -15.8134 -15.8052 -15.8052 11.4060 11.4060 17.0775 17.0775 17.1180 17.1180 17.2430 17.2430 19.3828 19.3828 19.3864 19.3864 30.9160 30.9160 k = 0.0455 0.0262 0.0186 ( 725 PWs) bands (ev): -43.0540 -43.0540 -18.3848 -18.3848 -15.8177 -15.8177 -15.8060 -15.8060 11.4287 11.4287 17.0673 17.0673 17.1274 17.1274 17.2493 17.2493 19.3746 19.3746 19.3798 19.3798 30.9574 30.9574 k = 0.0530 0.0306 0.0216 ( 725 PWs) bands (ev): -43.0530 -43.0530 -18.3873 -18.3873 -15.8229 -15.8229 -15.8069 -15.8069 11.4555 11.4555 17.0542 17.0542 17.1384 17.1384 17.2579 17.2579 19.3651 19.3651 19.3723 19.3723 31.0059 31.0059 k = 0.0606 0.0350 0.0247 ( 725 PWs) bands (ev): -43.0519 -43.0519 -18.3901 -18.3901 -15.8287 -15.8287 -15.8080 -15.8080 11.4861 11.4861 17.0383 17.0383 17.1508 17.1508 17.2686 17.2686 19.3545 19.3545 19.3640 19.3640 31.0613 31.0613 k = 0.0682 0.0394 0.0278 ( 725 PWs) bands (ev): -43.0506 -43.0506 -18.3933 -18.3933 -15.8353 -15.8353 -15.8092 -15.8092 11.5207 11.5207 17.0198 17.0198 17.1646 17.1646 17.2816 17.2816 19.3429 19.3429 19.3549 19.3549 31.1231 31.1231 k = 0.0758 0.0437 0.0309 ( 731 PWs) bands (ev): -43.0494 -43.0494 -18.3970 -18.3970 -15.8427 -15.8427 -15.8106 -15.8106 11.5591 11.5591 16.9988 16.9988 17.1796 17.1796 17.2965 17.2965 19.3306 19.3306 19.3454 19.3454 31.1912 31.1912 k = 0.0833 0.0481 0.0340 ( 728 PWs) bands (ev): -43.0478 -43.0478 -18.4008 -18.4008 -15.8506 -15.8506 -15.8120 -15.8120 11.6013 11.6013 16.9757 16.9757 17.1957 17.1957 17.3132 17.3132 19.3176 19.3176 19.3356 19.3356 31.2652 31.2652 k = 0.0909 0.0525 0.0371 ( 728 PWs) bands (ev): -43.0461 -43.0461 -18.4051 -18.4051 -15.8592 -15.8592 -15.8136 -15.8136 11.6470 11.6470 16.9507 16.9507 17.2127 17.2127 17.3315 17.3315 19.3041 19.3041 19.3257 19.3257 31.3445 31.3445 k = 0.0985 0.0569 0.0402 ( 728 PWs) bands (ev): -43.0443 -43.0443 -18.4097 -18.4097 -15.8685 -15.8685 -15.8153 -15.8153 11.6963 11.6963 16.9241 16.9241 17.2305 17.2305 17.3511 17.3511 19.2905 19.2905 19.3160 19.3160 31.4287 31.4287 k = 0.1061 0.0612 0.0433 ( 728 PWs) bands (ev): -43.0423 -43.0423 -18.4146 -18.4146 -15.8784 -15.8784 -15.8171 -15.8171 11.7490 11.7490 16.8961 16.8961 17.2488 17.2488 17.3718 17.3718 19.2770 19.2770 19.3066 19.3066 31.5172 31.5172 k = 0.1136 0.0656 0.0464 ( 724 PWs) bands (ev): -43.0401 -43.0401 -18.4198 -18.4198 -15.8887 -15.8887 -15.8190 -15.8190 11.8050 11.8050 16.8671 16.8671 17.2675 17.2675 17.3933 17.3933 19.2638 19.2638 19.2979 19.2979 31.6094 31.6094 k = 0.1212 0.0700 0.0495 ( 724 PWs) bands (ev): -43.0379 -43.0379 -18.4254 -18.4254 -15.8997 -15.8997 -15.8210 -15.8210 11.8640 11.8640 16.8374 16.8374 17.2864 17.2864 17.4153 17.4153 19.2513 19.2513 19.2901 19.2901 31.7042 31.7042 k = 0.1288 0.0744 0.0526 ( 718 PWs) bands (ev): -43.0353 -43.0353 -18.4312 -18.4312 -15.9111 -15.9111 -15.8232 -15.8232 11.9261 11.9261 16.8072 16.8072 17.3051 17.3051 17.4376 17.4376 19.2398 19.2398 19.2837 19.2837 31.8005 31.8005 k = 0.1364 0.0787 0.0557 ( 718 PWs) bands (ev): -43.0329 -43.0329 -18.4374 -18.4374 -15.9230 -15.9230 -15.8254 -15.8254 11.9909 11.9909 16.7769 16.7769 17.3235 17.3235 17.4598 17.4598 19.2296 19.2296 19.2787 19.2787 31.8969 31.8969 k = 0.1439 0.0831 0.0588 ( 718 PWs) bands (ev): -43.0304 -43.0304 -18.4439 -18.4439 -15.9355 -15.9355 -15.8277 -15.8277 12.0582 12.0582 16.7467 16.7467 17.3412 17.3412 17.4816 17.4816 19.2211 19.2211 19.2757 19.2757 31.9908 31.9908 k = 0.1515 0.0875 0.0619 ( 712 PWs) bands (ev): -43.0275 -43.0275 -18.4505 -18.4505 -15.9482 -15.9482 -15.8301 -15.8301 12.1279 12.1279 16.7171 16.7171 17.3579 17.3579 17.5027 17.5027 19.2147 19.2147 19.2749 19.2749 32.0784 32.0784 k = 0.1591 0.0919 0.0649 ( 712 PWs) bands (ev): -43.0248 -43.0248 -18.4575 -18.4575 -15.9614 -15.9614 -15.8326 -15.8326 12.1997 12.1997 16.6883 16.6883 17.3735 17.3735 17.5227 17.5227 19.2108 19.2108 19.2767 19.2767 32.1517 32.1517 k = 0.1667 0.0962 0.0680 ( 718 PWs) bands (ev): -43.0223 -43.0223 -18.4649 -18.4649 -15.9751 -15.9751 -15.8352 -15.8352 12.2734 12.2734 16.6606 16.6606 17.3876 17.3876 17.5412 17.5412 19.2098 19.2098 19.2813 19.2813 32.1956 32.1956 k = 0.1742 0.1006 0.0711 ( 718 PWs) bands (ev): -43.0195 -43.0195 -18.4724 -18.4724 -15.9890 -15.9890 -15.8379 -15.8379 12.3486 12.3486 16.6346 16.6346 17.3999 17.3999 17.5578 17.5578 19.2121 19.2121 19.2891 19.2891 32.1872 32.1872 k = 0.1818 0.1050 0.0742 ( 718 PWs) bands (ev): -43.0165 -43.0165 -18.4802 -18.4802 -16.0031 -16.0031 -15.8406 -15.8406 12.4250 12.4250 16.6104 16.6104 17.4103 17.4103 17.5724 17.5724 19.2180 19.2180 19.3003 19.3003 32.1189 32.1189 k = 0.1894 0.1093 0.0773 ( 718 PWs) bands (ev): -43.0135 -43.0135 -18.4881 -18.4881 -16.0175 -16.0175 -15.8433 -15.8433 12.5023 12.5023 16.5887 16.5887 17.4186 17.4186 17.5845 17.5845 19.2278 19.2278 19.3151 19.3151 32.0105 32.0105 k = 0.1970 0.1137 0.0804 ( 718 PWs) bands (ev): -43.0105 -43.0105 -18.4962 -18.4962 -16.0320 -16.0320 -15.8462 -15.8462 12.5801 12.5801 16.5696 16.5696 17.4245 17.4245 17.5940 17.5940 19.2418 19.2418 19.3338 19.3338 31.8823 31.8823 k = 0.2045 0.1181 0.0835 ( 718 PWs) bands (ev): -43.0073 -43.0073 -18.5046 -18.5046 -16.0467 -16.0467 -15.8490 -15.8490 12.6581 12.6581 16.5538 16.5538 17.4280 17.4280 17.6006 17.6006 19.2602 19.2602 19.3564 19.3564 31.7454 31.7454 k = 0.2121 0.1225 0.0866 ( 724 PWs) bands (ev): -43.0045 -43.0045 -18.5132 -18.5132 -16.0616 -16.0616 -15.8520 -15.8520 12.7357 12.7357 16.5416 16.5416 17.4290 17.4290 17.6043 17.6043 19.2832 19.2832 19.3831 19.3831 31.6045 31.6045 k = 0.2197 0.1268 0.0897 ( 724 PWs) bands (ev): -43.0013 -43.0013 -18.5218 -18.5218 -16.0765 -16.0765 -15.8549 -15.8549 12.8125 12.8125 16.5335 16.5335 17.4276 17.4276 17.6050 17.6050 19.3106 19.3106 19.4137 19.4137 31.4622 31.4622 k = 0.2273 0.1312 0.0928 ( 727 PWs) bands (ev): -42.9982 -42.9982 -18.5306 -18.5306 -16.0915 -16.0915 -15.8579 -15.8579 12.8882 12.8882 16.5299 16.5299 17.4237 17.4237 17.6027 17.6027 19.3426 19.3426 19.4483 19.4483 31.3195 31.3195 k = 0.2348 0.1356 0.0959 ( 727 PWs) bands (ev): -42.9949 -42.9949 -18.5394 -18.5394 -16.1064 -16.1064 -15.8609 -15.8609 12.9621 12.9621 16.5314 16.5314 17.4174 17.4174 17.5975 17.5975 19.3789 19.3789 19.4867 19.4867 31.1771 31.1771 k = 0.2424 0.1400 0.0990 ( 733 PWs) bands (ev): -42.9919 -42.9919 -18.5485 -18.5485 -16.1214 -16.1214 -15.8640 -15.8640 13.0339 13.0339 16.5384 16.5384 17.4089 17.4089 17.5896 17.5896 19.4195 19.4195 19.5289 19.5289 31.0354 31.0354 k = 0.2500 0.1443 0.1021 ( 733 PWs) bands (ev): -42.9886 -42.9886 -18.5575 -18.5575 -16.1362 -16.1362 -15.8670 -15.8670 13.1029 13.1029 16.5513 16.5513 17.3984 17.3984 17.5792 17.5792 19.4640 19.4640 19.5746 19.5746 30.8946 30.8946 k = 0.2576 0.1487 0.1052 ( 727 PWs) bands (ev): -42.9851 -42.9851 -18.5664 -18.5664 -16.1508 -16.1508 -15.8700 -15.8700 13.1688 13.1688 16.5705 16.5705 17.3859 17.3859 17.5666 17.5666 19.5122 19.5122 19.6235 19.6235 30.7547 30.7547 k = 0.2652 0.1531 0.1082 ( 727 PWs) bands (ev): -42.9818 -42.9818 -18.5755 -18.5755 -16.1654 -16.1654 -15.8730 -15.8730 13.2312 13.2312 16.5964 16.5964 17.3717 17.3717 17.5518 17.5518 19.5638 19.5638 19.6755 19.6755 30.6157 30.6157 k = 0.2727 0.1575 0.1113 ( 727 PWs) bands (ev): -42.9785 -42.9785 -18.5846 -18.5846 -16.1799 -16.1799 -15.8760 -15.8760 13.2896 13.2896 16.6293 16.6293 17.3559 17.3559 17.5354 17.5354 19.6185 19.6185 19.7303 19.7303 30.4777 30.4777 k = 0.2803 0.1618 0.1144 ( 739 PWs) bands (ev): -42.9758 -42.9758 -18.5939 -18.5939 -16.1943 -16.1943 -15.8791 -15.8791 13.3438 13.3438 16.6694 16.6694 17.3389 17.3389 17.5174 17.5174 19.6758 19.6758 19.7875 19.7875 30.3403 30.3403 k = 0.2879 0.1662 0.1175 ( 739 PWs) bands (ev): -42.9726 -42.9726 -18.6029 -18.6029 -16.2083 -16.2083 -15.8820 -15.8820 13.3935 13.3935 16.7168 16.7168 17.3208 17.3208 17.4981 17.4981 19.7356 19.7356 19.8470 19.8470 30.2037 30.2037 k = 0.2955 0.1706 0.1206 ( 739 PWs) bands (ev): -42.9694 -42.9694 -18.6119 -18.6119 -16.2221 -16.2221 -15.8849 -15.8849 13.4385 13.4385 16.7714 16.7714 17.3017 17.3017 17.4778 17.4778 19.7973 19.7973 19.9083 19.9083 30.0676 30.0676 k = 0.3030 0.1750 0.1237 ( 742 PWs) bands (ev): -42.9664 -42.9664 -18.6209 -18.6209 -16.2357 -16.2357 -15.8878 -15.8878 13.4788 13.4788 16.8333 16.8333 17.2819 17.2819 17.4567 17.4567 19.8607 19.8607 19.9712 19.9712 29.9319 29.9319 k = 0.3106 0.1793 0.1268 ( 742 PWs) bands (ev): -42.9633 -42.9633 -18.6297 -18.6297 -16.2488 -16.2488 -15.8906 -15.8906 13.5145 13.5145 16.9021 16.9021 17.2617 17.2617 17.4350 17.4350 19.9255 19.9255 20.0353 20.0353 29.7964 29.7964 k = 0.3182 0.1837 0.1299 ( 745 PWs) bands (ev): -42.9604 -42.9604 -18.6384 -18.6384 -16.2618 -16.2618 -15.8933 -15.8933 13.5456 13.5456 16.9776 16.9776 17.2410 17.2410 17.4130 17.4130 19.9913 19.9913 20.1004 20.1004 29.6610 29.6610 k = 0.3258 0.1881 0.1330 ( 745 PWs) bands (ev): -42.9575 -42.9575 -18.6470 -18.6470 -16.2743 -16.2743 -15.8960 -15.8960 13.5723 13.5723 17.0592 17.0592 17.2202 17.2202 17.3907 17.3907 20.0578 20.0578 20.1662 20.1662 29.5256 29.5256 k = 0.3333 0.1925 0.1361 ( 745 PWs) bands (ev): -42.9546 -42.9546 -18.6553 -18.6553 -16.2864 -16.2864 -15.8986 -15.8986 13.5950 13.5950 17.1466 17.1466 17.1993 17.1993 17.3685 17.3685 20.1246 20.1246 20.2323 20.2323 29.3900 29.3900 k = 0.3409 0.1968 0.1392 ( 745 PWs) bands (ev): -42.9517 -42.9517 -18.6635 -18.6635 -16.2982 -16.2982 -15.9012 -15.9012 13.6138 13.6138 17.1785 17.1785 17.2391 17.2391 17.3464 17.3464 20.1914 20.1914 20.2984 20.2984 29.2543 29.2543 k = 0.3485 0.2012 0.1423 ( 745 PWs) bands (ev): -42.9490 -42.9490 -18.6715 -18.6715 -16.3095 -16.3095 -15.9037 -15.9037 13.6291 13.6291 17.1579 17.1579 17.3238 17.3238 17.3367 17.3367 20.2579 20.2579 20.3642 20.3642 29.1185 29.1185 k = 0.3561 0.2056 0.1454 ( 742 PWs) bands (ev): -42.9462 -42.9462 -18.6791 -18.6791 -16.3203 -16.3203 -15.9060 -15.9060 13.6413 13.6413 17.1377 17.1377 17.3029 17.3029 17.4368 17.4368 20.3238 20.3238 20.4294 20.4294 28.9826 28.9826 k = 0.3636 0.2099 0.1485 ( 742 PWs) bands (ev): -42.9437 -42.9437 -18.6866 -18.6866 -16.3307 -16.3307 -15.9083 -15.9083 13.6507 13.6507 17.1180 17.1180 17.2820 17.2820 17.5404 17.5404 20.3888 20.3888 20.4937 20.4937 28.8469 28.8469 k = 0.3712 0.2143 0.1515 ( 739 PWs) bands (ev): -42.9411 -42.9411 -18.6937 -18.6937 -16.3406 -16.3406 -15.9105 -15.9105 13.6577 13.6577 17.0988 17.0988 17.2617 17.2617 17.6462 17.6462 20.4525 20.4525 20.5569 20.5569 28.7116 28.7116 k = 0.3788 0.2187 0.1546 ( 739 PWs) bands (ev): -42.9387 -42.9387 -18.7006 -18.7006 -16.3500 -16.3500 -15.9126 -15.9126 13.6625 13.6625 17.0802 17.0802 17.2421 17.2421 17.7534 17.7534 20.5146 20.5146 20.6184 20.6184 28.5771 28.5771 k = 0.3864 0.2231 0.1577 ( 739 PWs) bands (ev): -42.9365 -42.9365 -18.7072 -18.7072 -16.3590 -16.3590 -15.9146 -15.9146 13.6656 13.6656 17.0625 17.0625 17.2233 17.2233 17.8610 17.8610 20.5749 20.5749 20.6782 20.6782 28.4440 28.4440 k = 0.3939 0.2274 0.1608 ( 739 PWs) bands (ev): -42.9344 -42.9344 -18.7135 -18.7135 -16.3674 -16.3674 -15.9165 -15.9165 13.6671 13.6671 17.0455 17.0455 17.2053 17.2053 17.9683 17.9683 20.6330 20.6330 20.7358 20.7358 28.3129 28.3129 k = 0.4015 0.2318 0.1639 ( 739 PWs) bands (ev): -42.9324 -42.9324 -18.7194 -18.7194 -16.3753 -16.3753 -15.9183 -15.9183 13.6675 13.6675 17.0294 17.0294 17.1884 17.1884 18.0742 18.0742 20.6886 20.6886 20.7911 20.7911 28.1844 28.1844 k = 0.4091 0.2362 0.1670 ( 739 PWs) bands (ev): -42.9305 -42.9305 -18.7249 -18.7249 -16.3827 -16.3827 -15.9199 -15.9199 13.6669 13.6669 17.0143 17.0143 17.1724 17.1724 18.1779 18.1779 20.7415 20.7415 20.8436 20.8436 28.0596 28.0596 k = 0.4167 0.2406 0.1701 ( 736 PWs) bands (ev): -42.9287 -42.9287 -18.7300 -18.7300 -16.3894 -16.3894 -15.9215 -15.9215 13.6656 13.6656 17.0002 17.0002 17.1576 17.1576 18.2784 18.2784 20.7913 20.7913 20.8931 20.8931 27.9392 27.9392 k = 0.4242 0.2449 0.1732 ( 736 PWs) bands (ev): -42.9271 -42.9271 -18.7348 -18.7348 -16.3957 -16.3957 -15.9229 -15.9229 13.6637 13.6637 16.9871 16.9871 17.1438 17.1438 18.3747 18.3747 20.8378 20.8378 20.9393 20.9393 27.8244 27.8244 k = 0.4318 0.2493 0.1763 ( 730 PWs) bands (ev): -42.9254 -42.9254 -18.7390 -18.7390 -16.4013 -16.4013 -15.9240 -15.9240 13.6616 13.6616 16.9752 16.9752 17.1313 17.1313 18.4659 18.4659 20.8807 20.8807 20.9820 20.9820 27.7160 27.7160 k = 0.4394 0.2537 0.1794 ( 730 PWs) bands (ev): -42.9241 -42.9241 -18.7430 -18.7430 -16.4064 -16.4064 -15.9252 -15.9252 13.6592 13.6592 16.9644 16.9644 17.1199 17.1199 18.5508 18.5508 20.9198 20.9198 21.0210 21.0210 27.6153 27.6153 k = 0.4470 0.2581 0.1825 ( 724 PWs) bands (ev): -42.9226 -42.9226 -18.7464 -18.7464 -16.4108 -16.4108 -15.9261 -15.9261 13.6568 13.6568 16.9548 16.9548 17.1098 17.1098 18.6287 18.6287 20.9548 20.9548 21.0559 21.0559 27.5232 27.5232 k = 0.4545 0.2624 0.1856 ( 724 PWs) bands (ev): -42.9216 -42.9216 -18.7494 -18.7494 -16.4147 -16.4147 -15.9270 -15.9270 13.6545 13.6545 16.9464 16.9464 17.1010 17.1010 18.6985 18.6985 20.9856 20.9856 21.0866 21.0866 27.4408 27.4408 k = 0.4621 0.2668 0.1887 ( 724 PWs) bands (ev): -42.9208 -42.9208 -18.7520 -18.7520 -16.4181 -16.4181 -15.9278 -15.9278 13.6524 13.6524 16.9392 16.9392 17.0935 17.0935 18.7593 18.7593 21.0120 21.0120 21.1130 21.1130 27.3691 27.3691 k = 0.4697 0.2712 0.1918 ( 724 PWs) bands (ev): -42.9201 -42.9201 -18.7541 -18.7541 -16.4208 -16.4208 -15.9284 -15.9284 13.6505 13.6505 16.9333 16.9333 17.0874 17.0874 18.8103 18.8103 21.0338 21.0338 21.1348 21.1348 27.3091 27.3091 k = 0.4773 0.2756 0.1948 ( 724 PWs) bands (ev): -42.9195 -42.9195 -18.7558 -18.7558 -16.4229 -16.4229 -15.9289 -15.9289 13.6490 13.6490 16.9288 16.9288 17.0826 17.0826 18.8508 18.8508 21.0509 21.0509 21.1518 21.1518 27.2615 27.2615 k = 0.4848 0.2799 0.1979 ( 718 PWs) bands (ev): -42.9188 -42.9188 -18.7569 -18.7569 -16.4243 -16.4243 -15.9292 -15.9292 13.6479 13.6479 16.9255 16.9255 17.0791 17.0791 18.8801 18.8801 21.0632 21.0632 21.1641 21.1641 27.2271 27.2271 k = 0.4924 0.2843 0.2010 ( 718 PWs) bands (ev): -42.9186 -42.9186 -18.7576 -18.7576 -16.4252 -16.4252 -15.9294 -15.9294 13.6472 13.6472 16.9235 16.9235 17.0771 17.0771 18.8979 18.8979 21.0706 21.0706 21.1715 21.1715 27.2062 27.2062 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -42.9185 -42.9185 -18.7579 -18.7579 -16.4256 -16.4256 -15.9295 -15.9295 13.6470 13.6470 16.9228 16.9228 17.0764 17.0764 18.9039 18.9039 21.0731 21.0731 21.1740 21.1740 27.1992 27.1992 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -42.9185 -42.9185 -18.7579 -18.7579 -16.4256 -16.4256 -15.9295 -15.9295 13.6470 13.6470 16.9228 16.9228 17.0764 17.0764 18.9039 18.9039 21.0731 21.0731 21.1740 21.1740 27.1992 27.1992 k = 0.5027 0.2810 0.2085 ( 718 PWs) bands (ev): -42.9185 -42.9185 -18.7579 -18.7579 -16.4256 -16.4256 -15.9297 -15.9297 13.6489 13.6489 16.9224 16.9224 17.0759 17.0759 18.8972 18.8972 21.0770 21.0770 21.1782 21.1782 27.1980 27.1980 k = 0.5053 0.2733 0.2128 ( 718 PWs) bands (ev): -42.9184 -42.9184 -18.7580 -18.7580 -16.4256 -16.4256 -15.9305 -15.9305 13.6546 13.6546 16.9209 16.9209 17.0750 17.0750 18.8776 18.8776 21.0864 21.0864 21.1929 21.1929 27.1946 27.1946 k = 0.5080 0.2656 0.2172 ( 726 PWs) bands (ev): -42.9185 -42.9185 -18.7583 -18.7583 -16.4258 -16.4258 -15.9321 -15.9321 13.6641 13.6641 16.9172 16.9172 17.0745 17.0745 18.8458 18.8458 21.0955 21.0955 21.2228 21.2228 27.1889 27.1889 k = 0.5106 0.2580 0.2215 ( 728 PWs) bands (ev): -42.9184 -42.9184 -18.7585 -18.7585 -16.4260 -16.4260 -15.9339 -15.9339 13.6773 13.6773 16.9101 16.9101 17.0760 17.0760 18.8033 18.8033 21.1006 21.1006 21.2705 21.2705 27.1810 27.1810 k = 0.5133 0.2503 0.2258 ( 730 PWs) bands (ev): -42.9181 -42.9181 -18.7588 -18.7588 -16.4262 -16.4262 -15.9363 -15.9363 13.6942 13.6942 16.8979 16.8979 17.0811 17.0811 18.7515 18.7515 21.1016 21.1016 21.3343 21.3343 27.1710 27.1710 k = 0.5160 0.2426 0.2302 ( 730 PWs) bands (ev): -42.9177 -42.9177 -18.7592 -18.7592 -16.4265 -16.4265 -15.9392 -15.9392 13.7148 13.7148 16.8799 16.8799 17.0908 17.0908 18.6920 18.6920 21.0998 21.0998 21.4115 21.4115 27.1588 27.1588 k = 0.5186 0.2349 0.2345 ( 730 PWs) bands (ev): -42.9172 -42.9172 -18.7596 -18.7596 -16.4267 -16.4267 -15.9426 -15.9426 13.7390 13.7390 16.8557 16.8557 17.1055 17.1055 18.6263 18.6263 21.0961 21.0961 21.4996 21.4996 27.1445 27.1445 k = 0.5213 0.2273 0.2389 ( 727 PWs) bands (ev): -42.9165 -42.9165 -18.7601 -18.7601 -16.4270 -16.4270 -15.9465 -15.9465 13.7667 13.7667 16.8259 16.8259 17.1250 17.1250 18.5558 18.5558 21.0909 21.0909 21.5968 21.5968 27.1284 27.1284 k = 0.5239 0.2196 0.2432 ( 725 PWs) bands (ev): -42.9158 -42.9158 -18.7606 -18.7606 -16.4273 -16.4273 -15.9508 -15.9508 13.7977 13.7977 16.7909 16.7909 17.1490 17.1490 18.4817 18.4817 21.0845 21.0845 21.7016 21.7016 27.1104 27.1104 k = 0.5266 0.2119 0.2476 ( 725 PWs) bands (ev): -42.9151 -42.9151 -18.7612 -18.7612 -16.4276 -16.4276 -15.9555 -15.9555 13.8321 13.8321 16.7513 16.7513 17.1770 17.1770 18.4049 18.4049 21.0771 21.0771 21.8127 21.8127 27.0906 27.0906 k = 0.5293 0.2042 0.2519 ( 725 PWs) bands (ev): -42.9144 -42.9144 -18.7619 -18.7619 -16.4280 -16.4280 -15.9608 -15.9608 13.8696 13.8696 16.7077 16.7077 17.2088 17.2088 18.3264 18.3264 21.0687 21.0687 21.9291 21.9291 27.0693 27.0693 k = 0.5319 0.1965 0.2562 ( 730 PWs) bands (ev): -42.9138 -42.9138 -18.7628 -18.7628 -16.4285 -16.4285 -15.9665 -15.9665 13.9101 13.9101 16.6606 16.6606 17.2442 17.2442 18.2467 18.2467 21.0596 21.0596 22.0501 22.0501 27.0465 27.0465 k = 0.5346 0.1889 0.2606 ( 730 PWs) bands (ev): -42.9129 -42.9129 -18.7636 -18.7636 -16.4289 -16.4289 -15.9725 -15.9725 13.9534 13.9534 16.6104 16.6104 17.2829 17.2829 18.1666 18.1666 21.0498 21.0498 22.1748 22.1748 27.0224 27.0224 k = 0.5372 0.1812 0.2649 ( 728 PWs) bands (ev): -42.9119 -42.9119 -18.7645 -18.7645 -16.4294 -16.4294 -15.9788 -15.9788 13.9993 13.9993 16.5576 16.5576 17.3248 17.3248 18.0866 18.0866 21.0392 21.0392 22.3027 22.3027 26.9972 26.9972 k = 0.5399 0.1735 0.2693 ( 730 PWs) bands (ev): -42.9110 -42.9110 -18.7655 -18.7655 -16.4299 -16.4299 -15.9856 -15.9856 14.0476 14.0476 16.5026 16.5026 17.3696 17.3696 18.0072 18.0072 21.0281 21.0281 22.4333 22.4333 26.9711 26.9711 k = 0.5426 0.1658 0.2736 ( 730 PWs) bands (ev): -42.9100 -42.9100 -18.7665 -18.7665 -16.4304 -16.4304 -15.9926 -15.9926 14.0980 14.0980 16.4458 16.4458 17.4171 17.4171 17.9290 17.9290 21.0164 21.0164 22.5660 22.5660 26.9442 26.9442 k = 0.5452 0.1582 0.2780 ( 730 PWs) bands (ev): -42.9090 -42.9090 -18.7676 -18.7676 -16.4309 -16.4309 -15.9998 -15.9998 14.1502 14.1502 16.3877 16.3877 17.4667 17.4667 17.8526 17.8526 21.0042 21.0042 22.7005 22.7005 26.9169 26.9169 k = 0.5479 0.1505 0.2823 ( 730 PWs) bands (ev): -42.9079 -42.9079 -18.7688 -18.7688 -16.4314 -16.4314 -16.0074 -16.0074 14.2038 14.2038 16.3285 16.3285 17.5171 17.5171 17.7798 17.7798 20.9916 20.9916 22.8363 22.8363 26.8892 26.8892 k = 0.5505 0.1428 0.2866 ( 726 PWs) bands (ev): -42.9065 -42.9065 -18.7700 -18.7700 -16.4319 -16.4319 -16.0150 -16.0150 14.2586 14.2586 16.2687 16.2687 17.5634 17.5634 17.7156 17.7156 20.9786 20.9786 22.9731 22.9731 26.8615 26.8615 k = 0.5532 0.1351 0.2910 ( 728 PWs) bands (ev): -42.9054 -42.9054 -18.7713 -18.7713 -16.4325 -16.4325 -16.0230 -16.0230 14.3139 14.3139 16.2087 16.2087 17.5774 17.5774 17.6886 17.6886 20.9653 20.9653 23.1105 23.1105 26.8340 26.8340 k = 0.5559 0.1274 0.2953 ( 724 PWs) bands (ev): -42.9040 -42.9040 -18.7726 -18.7726 -16.4330 -16.4330 -16.0310 -16.0310 14.3693 14.3693 16.1490 16.1490 17.5331 17.5331 17.7248 17.7248 20.9518 20.9518 23.2482 23.2482 26.8070 26.8070 k = 0.5585 0.1198 0.2997 ( 724 PWs) bands (ev): -42.9028 -42.9028 -18.7741 -18.7741 -16.4336 -16.4336 -16.0391 -16.0391 14.4241 14.4241 16.0899 16.0899 17.4725 17.4725 17.7826 17.7826 20.9380 20.9380 23.3858 23.3858 26.7809 26.7809 k = 0.5612 0.1121 0.3040 ( 724 PWs) bands (ev): -42.9015 -42.9015 -18.7756 -18.7756 -16.4341 -16.4341 -16.0474 -16.0474 14.4777 14.4777 16.0319 16.0319 17.4113 17.4113 17.8467 17.8467 20.9242 20.9242 23.5229 23.5229 26.7558 26.7558 k = 0.5638 0.1044 0.3084 ( 722 PWs) bands (ev): -42.9002 -42.9002 -18.7771 -18.7771 -16.4347 -16.4347 -16.0556 -16.0556 14.5294 14.5294 15.9754 15.9754 17.3525 17.3525 17.9144 17.9144 20.9104 20.9104 23.6591 23.6591 26.7321 26.7321 k = 0.5665 0.0967 0.3127 ( 724 PWs) bands (ev): -42.8990 -42.8990 -18.7788 -18.7788 -16.4353 -16.4353 -16.0639 -16.0639 14.5781 14.5781 15.9209 15.9209 17.2974 17.2974 17.9847 17.9847 20.8966 20.8966 23.7942 23.7942 26.7102 26.7102 k = 0.5691 0.0891 0.3170 ( 724 PWs) bands (ev): -42.8977 -42.8977 -18.7804 -18.7804 -16.4360 -16.4360 -16.0722 -16.0722 14.6230 14.6230 15.8688 15.8688 17.2470 17.2470 18.0572 18.0572 20.8830 20.8830 23.9276 23.9276 26.6903 26.6903 k = 0.5718 0.0814 0.3214 ( 720 PWs) bands (ev): -42.8962 -42.8962 -18.7821 -18.7821 -16.4365 -16.4365 -16.0802 -16.0802 14.6631 14.6631 15.8195 15.8195 17.2019 17.2019 18.1316 18.1316 20.8696 20.8696 24.0590 24.0590 26.6730 26.6730 k = 0.5745 0.0737 0.3257 ( 720 PWs) bands (ev): -42.8949 -42.8949 -18.7838 -18.7838 -16.4372 -16.4372 -16.0883 -16.0883 14.6973 14.6973 15.7734 15.7734 17.1629 17.1629 18.2077 18.2077 20.8566 20.8566 24.1878 24.1878 26.6583 26.6583 k = 0.5771 0.0660 0.3301 ( 718 PWs) bands (ev): -42.8935 -42.8935 -18.7856 -18.7856 -16.4379 -16.4379 -16.0961 -16.0961 14.7248 14.7248 15.7307 15.7307 17.1308 17.1308 18.2852 18.2852 20.8440 20.8440 24.3137 24.3137 26.6467 26.6467 k = 0.5798 0.0583 0.3344 ( 718 PWs) bands (ev): -42.8923 -42.8923 -18.7874 -18.7874 -16.4386 -16.4386 -16.1038 -16.1038 14.7447 14.7447 15.6914 15.6914 17.1063 17.1063 18.3640 18.3640 20.8320 20.8320 24.4362 24.4362 26.6385 26.6385 k = 0.5824 0.0507 0.3388 ( 718 PWs) bands (ev): -42.8910 -42.8910 -18.7892 -18.7892 -16.4393 -16.4393 -16.1113 -16.1113 14.7567 14.7567 15.6553 15.6553 17.0899 17.0899 18.4437 18.4437 20.8207 20.8207 24.5548 24.5548 26.6337 26.6337 k = 0.5851 0.0430 0.3431 ( 720 PWs) bands (ev): -42.8899 -42.8899 -18.7911 -18.7911 -16.4401 -16.4401 -16.1186 -16.1186 14.7606 14.7606 15.6219 15.6219 17.0823 17.0823 18.5241 18.5241 20.8102 20.8102 24.6691 24.6691 26.6326 26.6326 k = 0.5878 0.0353 0.3474 ( 720 PWs) bands (ev): -42.8887 -42.8887 -18.7930 -18.7930 -16.4409 -16.4409 -16.1255 -16.1255 14.7568 14.7568 15.5906 15.5906 17.0837 17.0837 18.6050 18.6050 20.8008 20.8008 24.7787 24.7787 26.6348 26.6348 k = 0.5904 0.0276 0.3518 ( 720 PWs) bands (ev): -42.8875 -42.8875 -18.7949 -18.7949 -16.4417 -16.4417 -16.1321 -16.1321 14.7459 14.7459 15.5605 15.5605 17.0940 17.0940 18.6860 18.6860 20.7925 20.7925 24.8834 24.8834 26.6402 26.6402 k = 0.5931 0.0200 0.3561 ( 719 PWs) bands (ev): -42.8863 -42.8863 -18.7967 -18.7967 -16.4425 -16.4425 -16.1383 -16.1383 14.7289 14.7289 15.5307 15.5307 17.1132 17.1132 18.7668 18.7668 20.7856 20.7856 24.9830 24.9830 26.6481 26.6481 k = 0.5957 0.0123 0.3605 ( 719 PWs) bands (ev): -42.8852 -42.8852 -18.7985 -18.7985 -16.4434 -16.4434 -16.1442 -16.1442 14.7068 14.7068 15.5006 15.5006 17.1406 17.1406 18.8471 18.8471 20.7802 20.7802 25.0776 25.0776 26.6576 26.6576 k = 0.5984 0.0046 0.3648 ( 719 PWs) bands (ev): -42.8841 -42.8841 -18.8003 -18.8003 -16.4444 -16.4444 -16.1497 -16.1497 14.6807 14.6807 15.4696 15.4696 17.1756 17.1756 18.9264 18.9264 20.7766 20.7766 25.1674 25.1674 26.6671 26.6671 k = 0.6011-0.0031 0.3692 ( 721 PWs) bands (ev): -42.8832 -42.8832 -18.8021 -18.8021 -16.4454 -16.4454 -16.1547 -16.1547 14.6515 14.6515 15.4375 15.4375 17.2172 17.2172 19.0043 19.0043 20.7751 20.7751 25.2527 25.2527 26.6749 26.6749 k = 0.6037-0.0107 0.3735 ( 721 PWs) bands (ev): -42.8823 -42.8823 -18.8038 -18.8038 -16.4463 -16.4463 -16.1593 -16.1593 14.6201 14.6201 15.4042 15.4042 17.2644 17.2644 19.0804 19.0804 20.7759 20.7759 25.3343 25.3343 26.6787 26.6787 k = 0.6064-0.0184 0.3778 ( 723 PWs) bands (ev): -42.8815 -42.8815 -18.8054 -18.8054 -16.4474 -16.4474 -16.1635 -16.1635 14.5873 14.5873 15.3697 15.3697 17.3163 17.3163 19.1542 19.1542 20.7792 20.7792 25.4128 25.4128 26.6760 26.6760 k = 0.6090-0.0261 0.3822 ( 723 PWs) bands (ev): -42.8806 -42.8806 -18.8070 -18.8070 -16.4484 -16.4484 -16.1672 -16.1672 14.5536 14.5536 15.3343 15.3343 17.3718 17.3718 19.2253 19.2253 20.7854 20.7854 25.4891 25.4891 26.6638 26.6638 k = 0.6117-0.0338 0.3865 ( 723 PWs) bands (ev): -42.8799 -42.8799 -18.8085 -18.8085 -16.4494 -16.4494 -16.1704 -16.1704 14.5197 14.5197 15.2981 15.2981 17.4298 17.4298 19.2930 19.2930 20.7946 20.7946 25.5642 25.5642 26.6395 26.6395 k = 0.6144-0.0415 0.3909 ( 723 PWs) bands (ev): -42.8792 -42.8792 -18.8098 -18.8098 -16.4504 -16.4504 -16.1731 -16.1731 14.4858 14.4858 15.2614 15.2614 17.4895 17.4895 19.3570 19.3570 20.8073 20.8073 25.6388 25.6388 26.6005 26.6005 k = 0.6170-0.0491 0.3952 ( 722 PWs) bands (ev): -42.8786 -42.8786 -18.8111 -18.8111 -16.4514 -16.4514 -16.1753 -16.1753 14.4525 14.4525 15.2244 15.2244 17.5501 17.5501 19.4167 19.4167 20.8235 20.8235 25.7139 25.7139 26.5451 26.5451 k = 0.6197-0.0568 0.3996 ( 722 PWs) bands (ev): -42.8780 -42.8780 -18.8122 -18.8122 -16.4523 -16.4523 -16.1770 -16.1770 14.4198 14.4198 15.1876 15.1876 17.6106 17.6106 19.4718 19.4718 20.8433 20.8433 25.7899 25.7899 26.4726 26.4726 k = 0.6223-0.0645 0.4039 ( 724 PWs) bands (ev): -42.8777 -42.8777 -18.8132 -18.8132 -16.4532 -16.4532 -16.1784 -16.1784 14.3881 14.3881 15.1509 15.1509 17.6705 17.6705 19.5219 19.5219 20.8667 20.8667 25.8665 25.8665 26.3839 26.3839 k = 0.6250-0.0722 0.4082 ( 724 PWs) bands (ev): -42.8773 -42.8773 -18.8141 -18.8141 -16.4540 -16.4540 -16.1792 -16.1792 14.3575 14.3575 15.1148 15.1148 17.7291 17.7291 19.5670 19.5670 20.8937 20.8937 25.9405 25.9405 26.2837 26.2837 k = 0.6250-0.0722 0.4082 ( 724 PWs) bands (ev): -42.8773 -42.8773 -18.8141 -18.8141 -16.4540 -16.4540 -16.1792 -16.1792 14.3575 14.3575 15.1148 15.1148 17.7291 17.7291 19.5670 19.5670 20.8937 20.8937 25.9405 25.9405 26.2837 26.2837 k = 0.6204-0.0695 0.4158 ( 721 PWs) bands (ev): -42.8772 -42.8772 -18.8140 -18.8140 -16.4539 -16.4539 -16.1793 -16.1793 14.3592 14.3592 15.1157 15.1157 17.7252 17.7252 19.5647 19.5647 20.8967 20.8967 25.9444 25.9444 26.2850 26.2850 k = 0.6157-0.0668 0.4234 ( 721 PWs) bands (ev): -42.8771 -42.8771 -18.8140 -18.8140 -16.4536 -16.4536 -16.1798 -16.1798 14.3641 14.3641 15.1185 15.1185 17.7134 17.7134 19.5579 19.5579 20.9056 20.9056 25.9560 25.9560 26.2888 26.2888 k = 0.6111-0.0642 0.4309 ( 721 PWs) bands (ev): -42.8771 -42.8771 -18.8141 -18.8141 -16.4532 -16.4532 -16.1807 -16.1807 14.3723 14.3723 15.1231 15.1231 17.6941 17.6941 19.5465 19.5465 20.9202 20.9202 25.9752 25.9752 26.2954 26.2954 k = 0.6065-0.0615 0.4385 ( 725 PWs) bands (ev): -42.8772 -42.8772 -18.8142 -18.8142 -16.4526 -16.4526 -16.1821 -16.1821 14.3836 14.3836 15.1296 15.1296 17.6674 17.6674 19.5309 19.5309 20.9402 20.9402 26.0016 26.0016 26.3048 26.3048 k = 0.6019-0.0588 0.4460 ( 725 PWs) bands (ev): -42.8771 -42.8771 -18.8143 -18.8143 -16.4519 -16.4519 -16.1837 -16.1837 14.3979 14.3979 15.1382 15.1382 17.6338 17.6338 19.5113 19.5113 20.9650 20.9650 26.0349 26.0349 26.3172 26.3172 k = 0.5972-0.0561 0.4536 ( 723 PWs) bands (ev): -42.8769 -42.8769 -18.8143 -18.8143 -16.4510 -16.4510 -16.1856 -16.1856 14.4149 14.4149 15.1490 15.1490 17.5938 17.5938 19.4878 19.4878 20.9943 20.9943 26.0744 26.0744 26.3329 26.3329 k = 0.5926-0.0535 0.4612 ( 723 PWs) bands (ev): -42.8767 -42.8767 -18.8144 -18.8144 -16.4499 -16.4499 -16.1878 -16.1878 14.4344 14.4344 15.1620 15.1620 17.5480 17.5480 19.4609 19.4609 21.0272 21.0272 26.1194 26.1194 26.3526 26.3526 k = 0.5880-0.0508 0.4687 ( 720 PWs) bands (ev): -42.8765 -42.8765 -18.8145 -18.8145 -16.4487 -16.4487 -16.1903 -16.1903 14.4560 14.4560 15.1776 15.1776 17.4968 17.4968 19.4309 19.4309 21.0633 21.0633 26.1687 26.1687 26.3769 26.3769 k = 0.5833-0.0481 0.4763 ( 720 PWs) bands (ev): -42.8763 -42.8763 -18.8146 -18.8146 -16.4473 -16.4473 -16.1930 -16.1930 14.4793 14.4793 15.1960 15.1960 17.4410 17.4410 19.3982 19.3982 21.1019 21.1019 26.2207 26.2207 26.4072 26.4072 k = 0.5787-0.0454 0.4838 ( 720 PWs) bands (ev): -42.8761 -42.8761 -18.8147 -18.8147 -16.4459 -16.4459 -16.1960 -16.1960 14.5040 14.5040 15.2174 15.2174 17.3809 17.3809 19.3633 19.3633 21.1423 21.1423 26.2731 26.2731 26.4453 26.4453 k = 0.5741-0.0428 0.4914 ( 722 PWs) bands (ev): -42.8760 -42.8760 -18.8149 -18.8149 -16.4444 -16.4444 -16.1993 -16.1993 14.5296 14.5296 15.2420 15.2420 17.3172 17.3172 19.3266 19.3266 21.1838 21.1838 26.3239 26.3239 26.4928 26.4928 k = 0.5694-0.0401 0.4990 ( 720 PWs) bands (ev): -42.8757 -42.8757 -18.8151 -18.8151 -16.4427 -16.4427 -16.2026 -16.2026 14.5556 14.5556 15.2703 15.2703 17.2504 17.2504 19.2885 19.2885 21.2258 21.2258 26.3717 26.3717 26.5507 26.5507 k = 0.5648-0.0374 0.5065 ( 722 PWs) bands (ev): -42.8756 -42.8756 -18.8153 -18.8153 -16.4410 -16.4410 -16.2061 -16.2061 14.5815 14.5815 15.3023 15.3023 17.1810 17.1810 19.2496 19.2496 21.2678 21.2678 26.4169 26.4169 26.6180 26.6180 k = 0.5602-0.0347 0.5141 ( 722 PWs) bands (ev): -42.8753 -42.8753 -18.8155 -18.8155 -16.4393 -16.4393 -16.2097 -16.2097 14.6067 14.6067 15.3384 15.3384 17.1093 17.1093 19.2104 19.2104 21.3092 21.3092 26.4611 26.4611 26.6927 26.6927 k = 0.5556-0.0321 0.5217 ( 721 PWs) bands (ev): -42.8751 -42.8751 -18.8156 -18.8156 -16.4375 -16.4375 -16.2133 -16.2133 14.6310 14.6310 15.3787 15.3787 17.0359 17.0359 19.1713 19.1713 21.3494 21.3494 26.5057 26.5057 26.7727 26.7727 k = 0.5509-0.0294 0.5292 ( 721 PWs) bands (ev): -42.8748 -42.8748 -18.8158 -18.8158 -16.4357 -16.4357 -16.2169 -16.2169 14.6539 14.6539 15.4233 15.4233 16.9611 16.9611 19.1327 19.1327 21.3880 21.3880 26.5517 26.5517 26.8562 26.8562 k = 0.5463-0.0267 0.5368 ( 721 PWs) bands (ev): -42.8746 -42.8746 -18.8160 -18.8160 -16.4339 -16.4339 -16.2204 -16.2204 14.6750 14.6750 15.4721 15.4721 16.8853 16.8853 19.0953 19.0953 21.4246 21.4246 26.5999 26.5999 26.9418 26.9418 k = 0.5417-0.0241 0.5443 ( 721 PWs) bands (ev): -42.8744 -42.8744 -18.8162 -18.8162 -16.4322 -16.4322 -16.2239 -16.2239 14.6943 14.6943 15.5251 15.5251 16.8087 16.8087 19.0594 19.0594 21.4588 21.4588 26.6508 26.6508 27.0281 27.0281 k = 0.5370-0.0214 0.5519 ( 721 PWs) bands (ev): -42.8742 -42.8742 -18.8164 -18.8164 -16.4306 -16.4306 -16.2272 -16.2272 14.7115 14.7115 15.5819 15.5819 16.7317 16.7317 19.0256 19.0256 21.4902 21.4902 26.7045 26.7045 27.1135 27.1135 k = 0.5324-0.0187 0.5595 ( 725 PWs) bands (ev): -42.8742 -42.8742 -18.8167 -18.8167 -16.4291 -16.4291 -16.2303 -16.2303 14.7266 14.7266 15.6423 15.6423 16.6545 16.6545 18.9942 18.9942 21.5185 21.5185 26.7613 26.7613 27.1964 27.1964 k = 0.5278-0.0160 0.5670 ( 725 PWs) bands (ev): -42.8740 -42.8740 -18.8169 -18.8169 -16.4277 -16.4277 -16.2331 -16.2331 14.7395 14.7395 15.7058 15.7058 16.5774 16.5774 18.9658 18.9658 21.5435 21.5435 26.8211 26.8211 27.2746 27.2746 k = 0.5231-0.0134 0.5746 ( 725 PWs) bands (ev): -42.8738 -42.8738 -18.8170 -18.8170 -16.4264 -16.4264 -16.2357 -16.2357 14.7503 14.7503 15.7720 15.7720 16.5006 16.5006 18.9407 18.9407 21.5650 21.5650 26.8836 26.8836 27.3451 27.3451 k = 0.5185-0.0107 0.5821 ( 724 PWs) bands (ev): -42.8736 -42.8736 -18.8172 -18.8172 -16.4254 -16.4254 -16.2378 -16.2378 14.7590 14.7590 15.8405 15.8405 16.4242 16.4242 18.9194 18.9194 21.5827 21.5827 26.9485 26.9485 27.4039 27.4039 k = 0.5139-0.0080 0.5897 ( 724 PWs) bands (ev): -42.8735 -42.8735 -18.8173 -18.8173 -16.4246 -16.4246 -16.2395 -16.2395 14.7657 14.7657 15.9106 15.9106 16.3486 16.3486 18.9023 18.9023 21.5967 21.5967 27.0144 27.0144 27.4452 27.4452 k = 0.5093-0.0053 0.5973 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8174 -18.8174 -16.4240 -16.4240 -16.2407 -16.2407 14.7704 14.7704 15.9819 15.9819 16.2739 16.2739 18.8896 18.8896 21.6067 21.6067 27.0787 27.0787 27.4633 27.4633 k = 0.5046-0.0027 0.6048 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8175 -18.8175 -16.4236 -16.4236 -16.2415 -16.2415 14.7732 14.7732 16.0534 16.0534 16.2005 16.2005 18.8819 18.8819 21.6127 21.6127 27.1339 27.1339 27.4580 27.4580 k = 0.5000 0.0000 0.6124 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8175 -18.8175 -16.4235 -16.4235 -16.2417 -16.2417 14.7741 14.7741 16.1143 16.1143 16.1391 16.1391 18.8792 18.8792 21.6147 21.6147 27.1598 27.1598 27.4477 27.4477 k = 0.5000 0.0000 0.6124 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8175 -18.8175 -16.4235 -16.4235 -16.2417 -16.2417 14.7741 14.7741 16.1143 16.1143 16.1391 16.1391 18.8792 18.8792 21.6147 21.6147 27.1598 27.1598 27.4477 27.4477 k = 0.5000 0.0053 0.6048 ( 724 PWs) bands (ev): -42.8734 -42.8734 -18.8174 -18.8174 -16.4236 -16.4236 -16.2415 -16.2415 14.7755 14.7755 16.1134 16.1134 16.1387 16.1387 18.8799 18.8799 21.6107 21.6107 27.1498 27.1498 27.4329 27.4329 k = 0.5000 0.0107 0.5973 ( 724 PWs) bands (ev): -42.8735 -42.8735 -18.8172 -18.8172 -16.4238 -16.4238 -16.2406 -16.2406 14.7798 14.7798 16.1091 16.1091 16.1392 16.1392 18.8818 18.8818 21.5988 21.5988 27.1207 27.1207 27.3926 27.3926 k = 0.5000 0.0160 0.5897 ( 724 PWs) bands (ev): -42.8737 -42.8737 -18.8169 -18.8169 -16.4241 -16.4241 -16.2391 -16.2391 14.7870 14.7870 16.0984 16.0984 16.1434 16.1434 18.8849 18.8849 21.5793 21.5793 27.0759 27.0759 27.3343 27.3343 k = 0.5000 0.0214 0.5821 ( 724 PWs) bands (ev): -42.8740 -42.8740 -18.8164 -18.8164 -16.4245 -16.4245 -16.2371 -16.2371 14.7970 14.7970 16.0813 16.0813 16.1518 16.1518 18.8888 18.8888 21.5525 21.5525 27.0199 27.0199 27.2639 27.2639 k = 0.5000 0.0267 0.5746 ( 724 PWs) bands (ev): -42.8743 -42.8743 -18.8158 -18.8158 -16.4250 -16.4250 -16.2345 -16.2345 14.8098 14.8098 16.0585 16.0585 16.1636 16.1636 18.8932 18.8932 21.5192 21.5192 26.9568 26.9568 27.1846 27.1846 k = 0.5000 0.0321 0.5670 ( 724 PWs) bands (ev): -42.8748 -42.8748 -18.8150 -18.8150 -16.4256 -16.4256 -16.2314 -16.2314 14.8255 14.8255 16.0306 16.0306 16.1785 16.1785 18.8977 18.8977 21.4799 21.4799 26.8897 26.8897 27.0986 27.0986 k = 0.5000 0.0374 0.5595 ( 722 PWs) bands (ev): -42.8752 -42.8752 -18.8141 -18.8141 -16.4263 -16.4263 -16.2277 -16.2277 14.8439 14.8439 15.9980 15.9980 16.1964 16.1964 18.9016 18.9016 21.4355 21.4355 26.8198 26.8198 27.0087 27.0087 k = 0.5000 0.0428 0.5519 ( 724 PWs) bands (ev): -42.8758 -42.8758 -18.8132 -18.8132 -16.4270 -16.4270 -16.2236 -16.2236 14.8651 14.8651 15.9611 15.9611 16.2171 16.2171 18.9045 18.9045 21.3871 21.3871 26.7454 26.7454 26.9192 26.9192 k = 0.5000 0.0481 0.5443 ( 724 PWs) bands (ev): -42.8764 -42.8764 -18.8121 -18.8121 -16.4277 -16.4277 -16.2190 -16.2190 14.8891 14.8891 15.9201 15.9201 16.2406 16.2406 18.9057 18.9057 21.3357 21.3357 26.6622 26.6622 26.8363 26.8363 k = 0.5000 0.0535 0.5368 ( 724 PWs) bands (ev): -42.8771 -42.8771 -18.8109 -18.8109 -16.4285 -16.4285 -16.2140 -16.2140 14.9158 14.9158 15.8754 15.8754 16.2668 16.2668 18.9044 18.9044 21.2825 21.2825 26.5657 26.5657 26.7660 26.7660 k = 0.5000 0.0588 0.5292 ( 728 PWs) bands (ev): -42.8780 -42.8780 -18.8096 -18.8096 -16.4293 -16.4293 -16.2087 -16.2087 14.9452 14.9452 15.8273 15.8273 16.2956 16.2956 18.9000 18.9000 21.2285 21.2285 26.4560 26.4560 26.7095 26.7095 k = 0.5000 0.0642 0.5217 ( 728 PWs) bands (ev): -42.8789 -42.8789 -18.8083 -18.8083 -16.4301 -16.4301 -16.2028 -16.2028 14.9772 14.9772 15.7761 15.7761 16.3272 16.3272 18.8917 18.8917 21.1751 21.1751 26.3362 26.3362 26.6643 26.6643 k = 0.5000 0.0695 0.5141 ( 728 PWs) bands (ev): -42.8798 -42.8798 -18.8068 -18.8068 -16.4308 -16.4308 -16.1966 -16.1966 15.0117 15.0117 15.7220 15.7220 16.3613 16.3613 18.8789 18.8789 21.1233 21.1233 26.2092 26.2092 26.6281 26.6281 k = 0.5000 0.0748 0.5065 ( 728 PWs) bands (ev): -42.8807 -42.8807 -18.8052 -18.8052 -16.4315 -16.4315 -16.1901 -16.1901 15.0489 15.0489 15.6654 15.6654 16.3980 16.3980 18.8610 18.8610 21.0742 21.0742 26.0770 26.0770 26.5992 26.5992 k = 0.5000 0.0802 0.4990 ( 728 PWs) bands (ev): -42.8817 -42.8817 -18.8036 -18.8036 -16.4321 -16.4321 -16.1833 -16.1833 15.0885 15.0885 15.6064 15.6064 16.4372 16.4372 18.8374 18.8374 21.0289 21.0289 25.9410 25.9410 26.5768 26.5768 k = 0.5000 0.0855 0.4914 ( 728 PWs) bands (ev): -42.8827 -42.8827 -18.8020 -18.8020 -16.4327 -16.4327 -16.1761 -16.1761 15.1305 15.1305 15.5454 15.5454 16.4789 16.4789 18.8078 18.8078 20.9880 20.9880 25.8019 25.8019 26.5602 26.5602 k = 0.5000 0.0909 0.4838 ( 728 PWs) bands (ev): -42.8838 -42.8838 -18.8002 -18.8002 -16.4332 -16.4332 -16.1687 -16.1687 15.1748 15.1748 15.4827 15.4827 16.5230 16.5230 18.7721 18.7721 20.9521 20.9521 25.6603 25.6603 26.5487 26.5487 k = 0.5000 0.0962 0.4763 ( 722 PWs) bands (ev): -42.8847 -42.8847 -18.7984 -18.7984 -16.4336 -16.4336 -16.1610 -16.1610 15.2214 15.2214 15.4183 15.4183 16.5695 16.5695 18.7303 18.7303 20.9217 20.9217 25.5168 25.5168 26.5420 26.5420 k = 0.5000 0.1016 0.4687 ( 724 PWs) bands (ev): -42.8859 -42.8859 -18.7966 -18.7966 -16.4340 -16.4340 -16.1531 -16.1531 15.2702 15.2702 15.3526 15.3526 16.6184 16.6184 18.6826 18.6826 20.8969 20.8969 25.3716 25.3716 26.5397 26.5397 k = 0.5000 0.1069 0.4612 ( 724 PWs) bands (ev): -42.8871 -42.8871 -18.7948 -18.7948 -16.4343 -16.4343 -16.1450 -16.1450 15.2856 15.2856 15.3213 15.3213 16.6695 16.6695 18.6294 18.6294 20.8775 20.8775 25.2251 25.2251 26.5415 26.5415 k = 0.5000 0.1123 0.4536 ( 724 PWs) bands (ev): -42.8884 -42.8884 -18.7930 -18.7930 -16.4345 -16.4345 -16.1368 -16.1368 15.2179 15.2179 15.3741 15.3741 16.7229 16.7229 18.5713 18.5713 20.8635 20.8635 25.0777 25.0777 26.5469 26.5469 k = 0.5000 0.1176 0.4460 ( 724 PWs) bands (ev): -42.8896 -42.8896 -18.7912 -18.7912 -16.4347 -16.4347 -16.1284 -16.1284 15.1493 15.1493 15.4289 15.4289 16.7784 16.7784 18.5089 18.5089 20.8543 20.8543 24.9294 24.9294 26.5557 26.5557 k = 0.5000 0.1230 0.4385 ( 724 PWs) bands (ev): -42.8909 -42.8909 -18.7893 -18.7893 -16.4348 -16.4348 -16.1198 -16.1198 15.0802 15.0802 15.4855 15.4855 16.8360 16.8360 18.4429 18.4429 20.8495 20.8495 24.7805 24.7805 26.5676 26.5676 k = 0.5000 0.1283 0.4309 ( 726 PWs) bands (ev): -42.8923 -42.8923 -18.7876 -18.7876 -16.4348 -16.4348 -16.1112 -16.1112 15.0108 15.0108 15.5437 15.5437 16.8957 16.8957 18.3742 18.3742 20.8487 20.8487 24.6312 24.6312 26.5823 26.5823 k = 0.5000 0.1336 0.4234 ( 722 PWs) bands (ev): -42.8934 -42.8934 -18.7857 -18.7857 -16.4347 -16.4347 -16.1024 -16.1024 14.9412 14.9412 15.6034 15.6034 16.9573 16.9573 18.3034 18.3034 20.8513 20.8513 24.4817 24.4817 26.5995 26.5995 k = 0.5000 0.1390 0.4158 ( 722 PWs) bands (ev): -42.8947 -42.8947 -18.7839 -18.7839 -16.4346 -16.4346 -16.0936 -16.0936 14.8716 14.8716 15.6645 15.6645 17.0208 17.0208 18.2313 18.2313 20.8568 20.8568 24.3321 24.3321 26.6189 26.6189 k = 0.5000 0.1443 0.4082 ( 722 PWs) bands (ev): -42.8960 -42.8960 -18.7822 -18.7822 -16.4344 -16.4344 -16.0848 -16.0848 14.8022 14.8022 15.7268 15.7268 17.0861 17.0861 18.1585 18.1585 20.8648 20.8648 24.1826 24.1826 26.6404 26.6404 k = 0.5000 0.1497 0.4007 ( 722 PWs) bands (ev): -42.8974 -42.8974 -18.7805 -18.7805 -16.4342 -16.4342 -16.0760 -16.0760 14.7332 14.7332 15.7901 15.7901 17.1531 17.1531 18.0856 18.0856 20.8746 20.8746 24.0333 24.0333 26.6636 26.6636 k = 0.5000 0.1550 0.3931 ( 722 PWs) bands (ev): -42.8987 -42.8987 -18.7788 -18.7788 -16.4339 -16.4339 -16.0672 -16.0672 14.6649 14.6649 15.8543 15.8543 17.2217 17.2217 18.0134 18.0134 20.8860 20.8860 23.8843 23.8843 26.6883 26.6883 k = 0.5000 0.1604 0.3856 ( 722 PWs) bands (ev): -42.9000 -42.9000 -18.7772 -18.7772 -16.4336 -16.4336 -16.0584 -16.0584 14.5972 14.5972 15.9191 15.9191 17.2917 17.2917 17.9422 17.9422 20.8986 20.8986 23.7359 23.7359 26.7143 26.7143 k = 0.5000 0.1657 0.3780 ( 726 PWs) bands (ev): -42.9014 -42.9014 -18.7757 -18.7757 -16.4333 -16.4333 -16.0498 -16.0498 14.5306 14.5306 15.9844 15.9844 17.3629 17.3629 17.8728 17.8728 20.9120 20.9120 23.5881 23.5881 26.7414 26.7414 k = 0.5000 0.1711 0.3704 ( 726 PWs) bands (ev): -42.9027 -42.9027 -18.7742 -18.7742 -16.4329 -16.4329 -16.0412 -16.0412 14.4651 14.4651 16.0499 16.0499 17.4346 17.4346 17.8060 17.8060 20.9260 20.9260 23.4411 23.4411 26.7692 26.7692 k = 0.5000 0.1764 0.3629 ( 726 PWs) bands (ev): -42.9040 -42.9040 -18.7728 -18.7728 -16.4325 -16.4325 -16.0327 -16.0327 14.4010 14.4010 16.1153 16.1153 17.5052 17.5052 17.7437 17.7437 20.9403 20.9403 23.2951 23.2951 26.7976 26.7976 k = 0.5000 0.1818 0.3553 ( 724 PWs) bands (ev): -42.9051 -42.9051 -18.7714 -18.7714 -16.4321 -16.4321 -16.0244 -16.0244 14.3383 14.3383 16.1804 16.1804 17.5662 17.5662 17.6947 17.6947 20.9547 20.9547 23.1503 23.1503 26.8264 26.8264 k = 0.5000 0.1871 0.3478 ( 726 PWs) bands (ev): -42.9064 -42.9064 -18.7701 -18.7701 -16.4316 -16.4316 -16.0163 -16.0163 14.2774 14.2774 16.2450 16.2450 17.5751 17.5751 17.7014 17.7014 20.9691 20.9691 23.0067 23.0067 26.8553 26.8553 k = 0.5000 0.1925 0.3402 ( 732 PWs) bands (ev): -42.9078 -42.9078 -18.7689 -18.7689 -16.4313 -16.4313 -16.0085 -16.0085 14.2184 14.2184 16.3087 16.3087 17.5318 17.5318 17.7641 17.7641 20.9832 20.9832 22.8647 22.8647 26.8841 26.8841 k = 0.5000 0.1978 0.3326 ( 732 PWs) bands (ev): -42.9090 -42.9090 -18.7677 -18.7677 -16.4308 -16.4308 -16.0008 -16.0008 14.1614 14.1614 16.3712 16.3712 17.4799 17.4799 17.8392 17.8392 20.9970 20.9970 22.7245 22.7245 26.9127 26.9127 k = 0.5000 0.2031 0.3251 ( 732 PWs) bands (ev): -42.9100 -42.9100 -18.7666 -18.7666 -16.4303 -16.4303 -15.9934 -15.9934 14.1067 14.1067 16.4323 16.4323 17.4284 17.4284 17.9177 17.9177 21.0103 21.0103 22.5863 22.5863 26.9408 26.9408 k = 0.5000 0.2085 0.3175 ( 734 PWs) bands (ev): -42.9112 -42.9112 -18.7656 -18.7656 -16.4299 -16.4299 -15.9863 -15.9863 14.0543 14.0543 16.4915 16.4915 17.3791 17.3791 17.9978 17.9978 21.0231 21.0231 22.4504 22.4504 26.9683 26.9683 k = 0.5000 0.2138 0.3100 ( 734 PWs) bands (ev): -42.9121 -42.9121 -18.7646 -18.7646 -16.4294 -16.4294 -15.9795 -15.9795 14.0046 14.0046 16.5486 16.5486 17.3326 17.3326 18.0787 18.0787 21.0352 21.0352 22.3171 22.3171 26.9949 26.9949 k = 0.5000 0.2192 0.3024 ( 728 PWs) bands (ev): -42.9128 -42.9128 -18.7636 -18.7636 -16.4289 -16.4289 -15.9729 -15.9729 13.9575 13.9575 16.6032 16.6032 17.2892 17.2892 18.1599 18.1599 21.0465 21.0465 22.1869 22.1869 27.0205 27.0205 k = 0.5000 0.2245 0.2948 ( 728 PWs) bands (ev): -42.9137 -42.9137 -18.7628 -18.7628 -16.4285 -16.4285 -15.9669 -15.9669 13.9134 13.9134 16.6548 16.6548 17.2491 17.2491 18.2410 18.2410 21.0571 21.0571 22.0602 22.0602 27.0449 27.0449 k = 0.5000 0.2299 0.2873 ( 728 PWs) bands (ev): -42.9145 -42.9145 -18.7620 -18.7620 -16.4281 -16.4281 -15.9612 -15.9612 13.8722 13.8722 16.7032 16.7032 17.2126 17.2126 18.3214 18.3214 21.0669 21.0669 21.9376 21.9376 27.0679 27.0679 k = 0.5000 0.2352 0.2797 ( 730 PWs) bands (ev): -42.9153 -42.9153 -18.7613 -18.7613 -16.4277 -16.4277 -15.9559 -15.9559 13.8341 13.8341 16.7479 16.7479 17.1798 17.1798 18.4007 18.4007 21.0757 21.0757 21.8197 21.8197 27.0895 27.0895 k = 0.5000 0.2406 0.2722 ( 730 PWs) bands (ev): -42.9160 -42.9160 -18.7607 -18.7607 -16.4273 -16.4273 -15.9511 -15.9511 13.7993 13.7993 16.7883 16.7883 17.1510 17.1510 18.4781 18.4781 21.0835 21.0835 21.7073 21.7073 27.1095 27.1095 k = 0.5000 0.2459 0.2646 ( 732 PWs) bands (ev): -42.9167 -42.9167 -18.7602 -18.7602 -16.4270 -16.4270 -15.9467 -15.9467 13.7679 13.7679 16.8241 16.8241 17.1264 17.1264 18.5528 18.5528 21.0902 21.0902 21.6014 21.6014 27.1277 27.1277 k = 0.5000 0.2513 0.2570 ( 732 PWs) bands (ev): -42.9173 -42.9173 -18.7597 -18.7597 -16.4267 -16.4267 -15.9428 -15.9428 13.7399 13.7399 16.8545 16.8545 17.1064 17.1064 18.6239 18.6239 21.0957 21.0957 21.5032 21.5032 27.1440 27.1440 k = 0.5000 0.2566 0.2495 ( 732 PWs) bands (ev): -42.9178 -42.9178 -18.7592 -18.7592 -16.4265 -16.4265 -15.9394 -15.9394 13.7155 13.7155 16.8791 16.8791 17.0913 17.0913 18.6901 18.6901 21.0996 21.0996 21.4142 21.4142 27.1584 27.1584 k = 0.5000 0.2619 0.2419 ( 732 PWs) bands (ev): -42.9182 -42.9182 -18.7589 -18.7589 -16.4263 -16.4263 -15.9365 -15.9365 13.6947 13.6947 16.8975 16.8975 17.0814 17.0814 18.7500 18.7500 21.1015 21.1015 21.3362 21.3362 27.1707 27.1707 k = 0.5000 0.2673 0.2344 ( 726 PWs) bands (ev): -42.9183 -42.9183 -18.7585 -18.7585 -16.4260 -16.4260 -15.9339 -15.9339 13.6776 13.6776 16.9099 16.9099 17.0761 17.0761 18.8023 18.8023 21.1006 21.1006 21.2717 21.2717 27.1808 27.1808 k = 0.5000 0.2726 0.2268 ( 722 PWs) bands (ev): -42.9184 -42.9184 -18.7582 -18.7582 -16.4258 -16.4258 -15.9320 -15.9320 13.6642 13.6642 16.9172 16.9172 17.0745 17.0745 18.8452 18.8452 21.0956 21.0956 21.2234 21.2234 27.1888 27.1888 k = 0.5000 0.2780 0.2192 ( 718 PWs) bands (ev): -42.9184 -42.9184 -18.7580 -18.7580 -16.4256 -16.4256 -15.9306 -15.9306 13.6547 13.6547 16.9209 16.9209 17.0750 17.0750 18.8773 18.8773 21.0865 21.0865 21.1931 21.1931 27.1946 27.1946 k = 0.5000 0.2833 0.2117 ( 718 PWs) bands (ev): -42.9185 -42.9185 -18.7579 -18.7579 -16.4256 -16.4256 -15.9297 -15.9297 13.6489 13.6489 16.9224 16.9224 17.0759 17.0759 18.8972 18.8972 21.0771 21.0771 21.1782 21.1782 27.1980 27.1980 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -42.9185 -42.9185 -18.7579 -18.7579 -16.4256 -16.4256 -15.9295 -15.9295 13.6470 13.6470 16.9228 16.9228 17.0764 17.0764 18.9039 18.9039 21.0731 21.0731 21.1740 21.1740 27.1992 27.1992 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -42.9185 -42.9185 -18.7579 -18.7579 -16.4256 -16.4256 -15.9295 -15.9295 13.6470 13.6470 16.9228 16.9228 17.0764 17.0764 18.9039 18.9039 21.0731 21.0731 21.1740 21.1740 27.1992 27.1992 k = 0.4973 0.2871 0.2128 ( 718 PWs) bands (ev): -42.9185 -42.9185 -18.7579 -18.7579 -16.4256 -16.4256 -15.9297 -15.9297 13.6489 13.6489 16.9224 16.9224 17.0759 17.0759 18.8972 18.8972 21.0770 21.0770 21.1782 21.1782 27.1980 27.1980 k = 0.4947 0.2856 0.2215 ( 718 PWs) bands (ev): -42.9184 -42.9184 -18.7580 -18.7580 -16.4256 -16.4256 -15.9305 -15.9305 13.6546 13.6546 16.9209 16.9209 17.0750 17.0750 18.8776 18.8776 21.0864 21.0864 21.1929 21.1929 27.1946 27.1946 k = 0.4920 0.2841 0.2302 ( 726 PWs) bands (ev): -42.9185 -42.9185 -18.7583 -18.7583 -16.4258 -16.4258 -15.9321 -15.9321 13.6641 13.6641 16.9172 16.9172 17.0745 17.0745 18.8458 18.8458 21.0955 21.0955 21.2228 21.2228 27.1889 27.1889 k = 0.4894 0.2825 0.2389 ( 728 PWs) bands (ev): -42.9184 -42.9184 -18.7585 -18.7585 -16.4260 -16.4260 -15.9339 -15.9339 13.6773 13.6773 16.9101 16.9101 17.0760 17.0760 18.8033 18.8033 21.1006 21.1006 21.2705 21.2705 27.1810 27.1810 k = 0.4867 0.2810 0.2476 ( 730 PWs) bands (ev): -42.9181 -42.9181 -18.7588 -18.7588 -16.4262 -16.4262 -15.9363 -15.9363 13.6942 13.6942 16.8979 16.8979 17.0811 17.0811 18.7515 18.7515 21.1016 21.1016 21.3343 21.3343 27.1710 27.1710 k = 0.4840 0.2795 0.2562 ( 730 PWs) bands (ev): -42.9177 -42.9177 -18.7592 -18.7592 -16.4265 -16.4265 -15.9392 -15.9392 13.7148 13.7148 16.8799 16.8799 17.0908 17.0908 18.6920 18.6920 21.0998 21.0998 21.4115 21.4115 27.1588 27.1588 k = 0.4814 0.2779 0.2649 ( 730 PWs) bands (ev): -42.9172 -42.9172 -18.7596 -18.7596 -16.4267 -16.4267 -15.9426 -15.9426 13.7390 13.7390 16.8557 16.8557 17.1055 17.1055 18.6263 18.6263 21.0961 21.0961 21.4996 21.4996 27.1445 27.1445 k = 0.4787 0.2764 0.2736 ( 727 PWs) bands (ev): -42.9165 -42.9165 -18.7601 -18.7601 -16.4270 -16.4270 -15.9465 -15.9465 13.7667 13.7667 16.8259 16.8259 17.1250 17.1250 18.5558 18.5558 21.0909 21.0909 21.5968 21.5968 27.1284 27.1284 k = 0.4761 0.2749 0.2823 ( 725 PWs) bands (ev): -42.9158 -42.9158 -18.7606 -18.7606 -16.4273 -16.4273 -15.9508 -15.9508 13.7977 13.7977 16.7909 16.7909 17.1490 17.1490 18.4817 18.4817 21.0845 21.0845 21.7016 21.7016 27.1104 27.1104 k = 0.4734 0.2733 0.2910 ( 725 PWs) bands (ev): -42.9151 -42.9151 -18.7612 -18.7612 -16.4276 -16.4276 -15.9555 -15.9555 13.8321 13.8321 16.7513 16.7513 17.1770 17.1770 18.4049 18.4049 21.0771 21.0771 21.8127 21.8127 27.0906 27.0906 k = 0.4707 0.2718 0.2997 ( 725 PWs) bands (ev): -42.9144 -42.9144 -18.7619 -18.7619 -16.4280 -16.4280 -15.9608 -15.9608 13.8696 13.8696 16.7077 16.7077 17.2088 17.2088 18.3264 18.3264 21.0687 21.0687 21.9291 21.9291 27.0693 27.0693 k = 0.4681 0.2702 0.3084 ( 730 PWs) bands (ev): -42.9138 -42.9138 -18.7628 -18.7628 -16.4285 -16.4285 -15.9665 -15.9665 13.9101 13.9101 16.6606 16.6606 17.2442 17.2442 18.2467 18.2467 21.0596 21.0596 22.0501 22.0501 27.0465 27.0465 k = 0.4654 0.2687 0.3170 ( 730 PWs) bands (ev): -42.9129 -42.9129 -18.7636 -18.7636 -16.4289 -16.4289 -15.9725 -15.9725 13.9534 13.9534 16.6104 16.6104 17.2829 17.2829 18.1666 18.1666 21.0498 21.0498 22.1748 22.1748 27.0224 27.0224 k = 0.4628 0.2672 0.3257 ( 728 PWs) bands (ev): -42.9119 -42.9119 -18.7645 -18.7645 -16.4294 -16.4294 -15.9788 -15.9788 13.9993 13.9993 16.5576 16.5576 17.3248 17.3248 18.0866 18.0866 21.0392 21.0392 22.3027 22.3027 26.9972 26.9972 k = 0.4601 0.2656 0.3344 ( 730 PWs) bands (ev): -42.9110 -42.9110 -18.7655 -18.7655 -16.4299 -16.4299 -15.9856 -15.9856 14.0476 14.0476 16.5026 16.5026 17.3696 17.3696 18.0072 18.0072 21.0281 21.0281 22.4333 22.4333 26.9711 26.9711 k = 0.4574 0.2641 0.3431 ( 730 PWs) bands (ev): -42.9100 -42.9100 -18.7665 -18.7665 -16.4304 -16.4304 -15.9926 -15.9926 14.0980 14.0980 16.4458 16.4458 17.4171 17.4171 17.9290 17.9290 21.0164 21.0164 22.5660 22.5660 26.9442 26.9442 k = 0.4548 0.2626 0.3518 ( 730 PWs) bands (ev): -42.9090 -42.9090 -18.7676 -18.7676 -16.4309 -16.4309 -15.9998 -15.9998 14.1502 14.1502 16.3877 16.3877 17.4667 17.4667 17.8526 17.8526 21.0042 21.0042 22.7005 22.7005 26.9169 26.9169 k = 0.4521 0.2610 0.3605 ( 730 PWs) bands (ev): -42.9079 -42.9079 -18.7688 -18.7688 -16.4314 -16.4314 -16.0074 -16.0074 14.2038 14.2038 16.3285 16.3285 17.5171 17.5171 17.7798 17.7798 20.9916 20.9916 22.8363 22.8363 26.8892 26.8892 k = 0.4495 0.2595 0.3692 ( 726 PWs) bands (ev): -42.9065 -42.9065 -18.7700 -18.7700 -16.4319 -16.4319 -16.0150 -16.0150 14.2586 14.2586 16.2687 16.2687 17.5634 17.5634 17.7156 17.7156 20.9786 20.9786 22.9731 22.9731 26.8615 26.8615 k = 0.4468 0.2580 0.3778 ( 728 PWs) bands (ev): -42.9054 -42.9054 -18.7713 -18.7713 -16.4325 -16.4325 -16.0230 -16.0230 14.3139 14.3139 16.2087 16.2087 17.5774 17.5774 17.6886 17.6886 20.9653 20.9653 23.1105 23.1105 26.8340 26.8340 k = 0.4441 0.2564 0.3865 ( 724 PWs) bands (ev): -42.9040 -42.9040 -18.7726 -18.7726 -16.4330 -16.4330 -16.0310 -16.0310 14.3693 14.3693 16.1490 16.1490 17.5331 17.5331 17.7248 17.7248 20.9518 20.9518 23.2482 23.2482 26.8070 26.8070 k = 0.4415 0.2549 0.3952 ( 724 PWs) bands (ev): -42.9028 -42.9028 -18.7741 -18.7741 -16.4336 -16.4336 -16.0391 -16.0391 14.4241 14.4241 16.0899 16.0899 17.4725 17.4725 17.7826 17.7826 20.9380 20.9380 23.3858 23.3858 26.7809 26.7809 k = 0.4388 0.2534 0.4039 ( 724 PWs) bands (ev): -42.9015 -42.9015 -18.7756 -18.7756 -16.4341 -16.4341 -16.0474 -16.0474 14.4777 14.4777 16.0319 16.0319 17.4113 17.4113 17.8467 17.8467 20.9242 20.9242 23.5229 23.5229 26.7558 26.7558 k = 0.4362 0.2518 0.4126 ( 722 PWs) bands (ev): -42.9002 -42.9002 -18.7771 -18.7771 -16.4347 -16.4347 -16.0556 -16.0556 14.5294 14.5294 15.9754 15.9754 17.3525 17.3525 17.9144 17.9144 20.9104 20.9104 23.6591 23.6591 26.7321 26.7321 k = 0.4335 0.2503 0.4213 ( 724 PWs) bands (ev): -42.8990 -42.8990 -18.7788 -18.7788 -16.4353 -16.4353 -16.0639 -16.0639 14.5781 14.5781 15.9209 15.9209 17.2974 17.2974 17.9847 17.9847 20.8966 20.8966 23.7942 23.7942 26.7102 26.7102 k = 0.4309 0.2488 0.4300 ( 724 PWs) bands (ev): -42.8977 -42.8977 -18.7804 -18.7804 -16.4360 -16.4360 -16.0722 -16.0722 14.6230 14.6230 15.8688 15.8688 17.2470 17.2470 18.0572 18.0572 20.8830 20.8830 23.9276 23.9276 26.6903 26.6903 k = 0.4282 0.2472 0.4386 ( 720 PWs) bands (ev): -42.8962 -42.8962 -18.7821 -18.7821 -16.4365 -16.4365 -16.0802 -16.0802 14.6631 14.6631 15.8195 15.8195 17.2019 17.2019 18.1316 18.1316 20.8696 20.8696 24.0590 24.0590 26.6730 26.6730 k = 0.4255 0.2457 0.4473 ( 720 PWs) bands (ev): -42.8949 -42.8949 -18.7838 -18.7838 -16.4372 -16.4372 -16.0883 -16.0883 14.6973 14.6973 15.7734 15.7734 17.1629 17.1629 18.2077 18.2077 20.8566 20.8566 24.1878 24.1878 26.6583 26.6583 k = 0.4229 0.2441 0.4560 ( 718 PWs) bands (ev): -42.8935 -42.8935 -18.7856 -18.7856 -16.4379 -16.4379 -16.0961 -16.0961 14.7248 14.7248 15.7307 15.7307 17.1308 17.1308 18.2852 18.2852 20.8440 20.8440 24.3137 24.3137 26.6467 26.6467 k = 0.4202 0.2426 0.4647 ( 718 PWs) bands (ev): -42.8923 -42.8923 -18.7874 -18.7874 -16.4386 -16.4386 -16.1038 -16.1038 14.7447 14.7447 15.6914 15.6914 17.1063 17.1063 18.3640 18.3640 20.8320 20.8320 24.4362 24.4362 26.6385 26.6385 k = 0.4176 0.2411 0.4734 ( 718 PWs) bands (ev): -42.8910 -42.8910 -18.7892 -18.7892 -16.4393 -16.4393 -16.1113 -16.1113 14.7567 14.7567 15.6553 15.6553 17.0899 17.0899 18.4437 18.4437 20.8207 20.8207 24.5548 24.5548 26.6337 26.6337 k = 0.4149 0.2395 0.4821 ( 720 PWs) bands (ev): -42.8899 -42.8899 -18.7911 -18.7911 -16.4401 -16.4401 -16.1186 -16.1186 14.7606 14.7606 15.6219 15.6219 17.0823 17.0823 18.5241 18.5241 20.8102 20.8102 24.6691 24.6691 26.6326 26.6326 k = 0.4122 0.2380 0.4908 ( 720 PWs) bands (ev): -42.8887 -42.8887 -18.7930 -18.7930 -16.4409 -16.4409 -16.1255 -16.1255 14.7568 14.7568 15.5906 15.5906 17.0837 17.0837 18.6050 18.6050 20.8008 20.8008 24.7787 24.7787 26.6348 26.6348 k = 0.4096 0.2365 0.4995 ( 720 PWs) bands (ev): -42.8875 -42.8875 -18.7949 -18.7949 -16.4417 -16.4417 -16.1321 -16.1321 14.7459 14.7459 15.5605 15.5605 17.0940 17.0940 18.6860 18.6860 20.7925 20.7925 24.8834 24.8834 26.6402 26.6402 k = 0.4069 0.2349 0.5081 ( 719 PWs) bands (ev): -42.8863 -42.8863 -18.7967 -18.7967 -16.4425 -16.4425 -16.1383 -16.1383 14.7289 14.7289 15.5307 15.5307 17.1132 17.1132 18.7668 18.7668 20.7856 20.7856 24.9830 24.9830 26.6481 26.6481 k = 0.4043 0.2334 0.5168 ( 719 PWs) bands (ev): -42.8852 -42.8852 -18.7985 -18.7985 -16.4434 -16.4434 -16.1442 -16.1442 14.7068 14.7068 15.5006 15.5006 17.1406 17.1406 18.8471 18.8471 20.7802 20.7802 25.0776 25.0776 26.6576 26.6576 k = 0.4016 0.2319 0.5255 ( 719 PWs) bands (ev): -42.8841 -42.8841 -18.8003 -18.8003 -16.4444 -16.4444 -16.1497 -16.1497 14.6807 14.6807 15.4696 15.4696 17.1756 17.1756 18.9264 18.9264 20.7766 20.7766 25.1674 25.1674 26.6671 26.6671 k = 0.3989 0.2303 0.5342 ( 721 PWs) bands (ev): -42.8832 -42.8832 -18.8021 -18.8021 -16.4454 -16.4454 -16.1547 -16.1547 14.6515 14.6515 15.4375 15.4375 17.2172 17.2172 19.0043 19.0043 20.7751 20.7751 25.2527 25.2527 26.6749 26.6749 k = 0.3963 0.2288 0.5429 ( 721 PWs) bands (ev): -42.8823 -42.8823 -18.8038 -18.8038 -16.4463 -16.4463 -16.1593 -16.1593 14.6201 14.6201 15.4042 15.4042 17.2644 17.2644 19.0804 19.0804 20.7759 20.7759 25.3343 25.3343 26.6787 26.6787 k = 0.3936 0.2273 0.5516 ( 723 PWs) bands (ev): -42.8815 -42.8815 -18.8054 -18.8054 -16.4474 -16.4474 -16.1635 -16.1635 14.5873 14.5873 15.3697 15.3697 17.3163 17.3163 19.1542 19.1542 20.7792 20.7792 25.4128 25.4128 26.6760 26.6760 k = 0.3910 0.2257 0.5603 ( 723 PWs) bands (ev): -42.8806 -42.8806 -18.8070 -18.8070 -16.4484 -16.4484 -16.1672 -16.1672 14.5536 14.5536 15.3343 15.3343 17.3718 17.3718 19.2253 19.2253 20.7854 20.7854 25.4891 25.4891 26.6638 26.6638 k = 0.3883 0.2242 0.5689 ( 723 PWs) bands (ev): -42.8799 -42.8799 -18.8085 -18.8085 -16.4494 -16.4494 -16.1704 -16.1704 14.5197 14.5197 15.2981 15.2981 17.4298 17.4298 19.2930 19.2930 20.7946 20.7946 25.5642 25.5642 26.6395 26.6395 k = 0.3856 0.2226 0.5776 ( 723 PWs) bands (ev): -42.8792 -42.8792 -18.8098 -18.8098 -16.4504 -16.4504 -16.1731 -16.1731 14.4858 14.4858 15.2614 15.2614 17.4895 17.4895 19.3570 19.3570 20.8073 20.8073 25.6388 25.6388 26.6005 26.6005 k = 0.3830 0.2211 0.5863 ( 722 PWs) bands (ev): -42.8786 -42.8786 -18.8111 -18.8111 -16.4514 -16.4514 -16.1753 -16.1753 14.4525 14.4525 15.2244 15.2244 17.5501 17.5501 19.4167 19.4167 20.8235 20.8235 25.7139 25.7139 26.5451 26.5451 k = 0.3803 0.2196 0.5950 ( 722 PWs) bands (ev): -42.8780 -42.8780 -18.8122 -18.8122 -16.4523 -16.4523 -16.1770 -16.1770 14.4198 14.4198 15.1876 15.1876 17.6106 17.6106 19.4718 19.4718 20.8433 20.8433 25.7899 25.7899 26.4726 26.4726 k = 0.3777 0.2180 0.6037 ( 724 PWs) bands (ev): -42.8777 -42.8777 -18.8132 -18.8132 -16.4532 -16.4532 -16.1784 -16.1784 14.3881 14.3881 15.1509 15.1509 17.6705 17.6705 19.5219 19.5219 20.8667 20.8667 25.8665 25.8665 26.3839 26.3839 k = 0.3750 0.2165 0.6124 ( 724 PWs) bands (ev): -42.8773 -42.8773 -18.8141 -18.8141 -16.4540 -16.4540 -16.1792 -16.1792 14.3575 14.3575 15.1148 15.1148 17.7291 17.7291 19.5670 19.5670 20.8937 20.8937 25.9405 25.9405 26.2837 26.2837 k = 0.6250-0.0722 0.4082 ( 724 PWs) bands (ev): -42.8773 -42.8773 -18.8141 -18.8141 -16.4540 -16.4540 -16.1792 -16.1792 14.3575 14.3575 15.1148 15.1148 17.7291 17.7291 19.5670 19.5670 20.8937 20.8937 25.9405 25.9405 26.2837 26.2837 k = 0.6204-0.0802 0.4082 ( 724 PWs) bands (ev): -42.8768 -42.8768 -18.8153 -18.8153 -16.4553 -16.4553 -16.1800 -16.1800 14.3058 14.3058 15.0523 15.0523 17.8311 17.8311 19.6414 19.6414 20.9430 20.9430 26.0065 26.0065 26.1625 26.1625 k = 0.6157-0.0882 0.4082 ( 722 PWs) bands (ev): -42.8763 -42.8763 -18.8165 -18.8165 -16.4566 -16.4566 -16.1803 -16.1803 14.2549 14.2549 14.9895 14.9895 17.9357 17.9357 19.7167 19.7167 20.9908 20.9908 25.8613 25.8613 26.2558 26.2558 k = 0.6111-0.0962 0.4082 ( 722 PWs) bands (ev): -42.8759 -42.8759 -18.8176 -18.8176 -16.4580 -16.4580 -16.1803 -16.1803 14.2049 14.2049 14.9270 14.9270 18.0430 18.0430 19.7925 19.7925 21.0372 21.0372 25.6752 25.6752 26.3930 26.3930 k = 0.6065-0.1042 0.4082 ( 724 PWs) bands (ev): -42.8756 -42.8756 -18.8187 -18.8187 -16.4595 -16.4595 -16.1800 -16.1800 14.1558 14.1558 14.8649 14.8649 18.1529 18.1529 19.8689 19.8689 21.0821 21.0821 25.4854 25.4854 26.5369 26.5369 k = 0.6019-0.1123 0.4082 ( 728 PWs) bands (ev): -42.8754 -42.8754 -18.8198 -18.8198 -16.4610 -16.4610 -16.1794 -16.1794 14.1077 14.1077 14.8038 14.8038 18.2654 18.2654 19.9454 19.9454 21.1254 21.1254 25.2952 25.2952 26.6838 26.6838 k = 0.5972-0.1203 0.4082 ( 728 PWs) bands (ev): -42.8752 -42.8752 -18.8207 -18.8207 -16.4626 -16.4626 -16.1784 -16.1784 14.0606 14.0606 14.7440 14.7440 18.3804 18.3804 20.0220 20.0220 21.1672 21.1672 25.1053 25.1053 26.8329 26.8329 k = 0.5926-0.1283 0.4082 ( 726 PWs) bands (ev): -42.8748 -42.8748 -18.8216 -18.8216 -16.4641 -16.4641 -16.1771 -16.1771 14.0145 14.0145 14.6858 14.6858 18.4980 18.4980 20.0983 20.0983 21.2073 21.2073 24.9161 24.9161 26.9833 26.9833 k = 0.5880-0.1363 0.4082 ( 726 PWs) bands (ev): -42.8746 -42.8746 -18.8224 -18.8224 -16.4657 -16.4657 -16.1755 -16.1755 13.9696 13.9696 14.6295 14.6295 18.6180 18.6180 20.1741 20.1741 21.2457 21.2457 24.7277 24.7277 27.1347 27.1347 k = 0.5833-0.1443 0.4082 ( 726 PWs) bands (ev): -42.8744 -42.8744 -18.8232 -18.8232 -16.4673 -16.4673 -16.1738 -16.1738 13.9258 13.9258 14.5753 14.5753 18.7404 18.7404 20.2491 20.2491 21.2825 21.2825 24.5403 24.5403 27.2866 27.2866 k = 0.5787-0.1524 0.4082 ( 726 PWs) bands (ev): -42.8743 -42.8743 -18.8239 -18.8239 -16.4689 -16.4689 -16.1719 -16.1719 13.8832 13.8832 14.5235 14.5235 18.8652 18.8652 20.3230 20.3230 21.3175 21.3175 24.3539 24.3539 27.4384 27.4384 k = 0.5741-0.1604 0.4082 ( 726 PWs) bands (ev): -42.8742 -42.8742 -18.8246 -18.8246 -16.4705 -16.4705 -16.1698 -16.1698 13.8420 13.8420 14.4742 14.4742 18.9924 18.9924 20.3955 20.3955 21.3507 21.3507 24.1686 24.1686 27.5896 27.5896 k = 0.5694-0.1684 0.4082 ( 726 PWs) bands (ev): -42.8741 -42.8741 -18.8253 -18.8253 -16.4721 -16.4721 -16.1676 -16.1676 13.8022 13.8022 14.4277 14.4277 19.1218 19.1218 20.4663 20.4663 21.3821 21.3821 23.9845 23.9845 27.7397 27.7397 k = 0.5648-0.1764 0.4082 ( 726 PWs) bands (ev): -42.8740 -42.8740 -18.8259 -18.8259 -16.4737 -16.4737 -16.1654 -16.1654 13.7640 13.7640 14.3841 14.3841 19.2535 19.2535 20.5351 20.5351 21.4116 21.4116 23.8017 23.8017 27.8881 27.8881 k = 0.5602-0.1844 0.4082 ( 726 PWs) bands (ev): -42.8739 -42.8739 -18.8264 -18.8264 -16.4752 -16.4752 -16.1631 -16.1631 13.7275 13.7275 14.3434 14.3434 19.3873 19.3873 20.6014 20.6014 21.4393 21.4393 23.6202 23.6202 28.0341 28.0341 k = 0.5556-0.1925 0.4082 ( 720 PWs) bands (ev): -42.8736 -42.8736 -18.8268 -18.8268 -16.4766 -16.4766 -16.1607 -16.1607 13.6929 13.6929 14.3057 14.3057 19.5233 19.5233 20.6648 20.6648 21.4650 21.4650 23.4402 23.4402 28.1769 28.1769 k = 0.5509-0.2005 0.4082 ( 724 PWs) bands (ev): -42.8737 -42.8737 -18.8274 -18.8274 -16.4781 -16.4781 -16.1586 -16.1586 13.6603 13.6603 14.2711 14.2711 19.6612 19.6612 20.7251 20.7251 21.4888 21.4888 23.2617 23.2617 28.3156 28.3156 k = 0.5463-0.2085 0.4082 ( 724 PWs) bands (ev): -42.8737 -42.8737 -18.8278 -18.8278 -16.4794 -16.4794 -16.1564 -16.1564 13.6298 13.6298 14.2396 14.2396 19.8010 19.8010 20.7819 20.7819 21.5105 21.5105 23.0849 23.0849 28.4493 28.4493 k = 0.5417-0.2165 0.4082 ( 724 PWs) bands (ev): -42.8737 -42.8737 -18.8282 -18.8282 -16.4807 -16.4807 -16.1544 -16.1544 13.6017 13.6017 14.2112 14.2112 19.9426 19.9426 20.8346 20.8346 21.5303 21.5303 22.9099 22.9099 28.5768 28.5768 k = 0.5370-0.2245 0.4082 ( 724 PWs) bands (ev): -42.8737 -42.8737 -18.8286 -18.8286 -16.4818 -16.4818 -16.1525 -16.1525 13.5761 13.5761 14.1859 14.1859 20.0857 20.0857 20.8831 20.8831 21.5479 21.5479 22.7369 22.7369 28.6966 28.6966 k = 0.5324-0.2325 0.4082 ( 728 PWs) bands (ev): -42.8739 -42.8739 -18.8289 -18.8289 -16.4829 -16.4829 -16.1508 -16.1508 13.5530 13.5530 14.1636 14.1636 20.2302 20.2302 20.9268 20.9268 21.5633 21.5633 22.5664 22.5664 28.8069 28.8069 k = 0.5278-0.2406 0.4082 ( 736 PWs) bands (ev): -42.8742 -42.8742 -18.8293 -18.8293 -16.4839 -16.4839 -16.1494 -16.1494 13.5328 13.5328 14.1444 14.1444 20.3755 20.3755 20.9655 20.9655 21.5765 21.5765 22.3987 22.3987 28.9051 28.9051 k = 0.5231-0.2486 0.4082 ( 736 PWs) bands (ev): -42.8742 -42.8742 -18.8296 -18.8296 -16.4847 -16.4847 -16.1480 -16.1480 13.5155 13.5155 14.1282 14.1282 20.5210 20.5210 20.9989 20.9989 21.5870 21.5870 22.2349 22.2349 28.9879 28.9879 k = 0.5185-0.2566 0.4082 ( 736 PWs) bands (ev): -42.8742 -42.8742 -18.8298 -18.8298 -16.4853 -16.4853 -16.1469 -16.1469 13.5011 13.5011 14.1149 14.1149 20.6655 20.6655 21.0267 21.0267 21.5945 21.5945 22.0765 22.0765 29.0515 29.0515 k = 0.5139-0.2646 0.4082 ( 736 PWs) bands (ev): -42.8742 -42.8742 -18.8299 -18.8299 -16.4859 -16.4859 -16.1460 -16.1460 13.4899 13.4899 14.1047 14.1047 20.8064 20.8064 21.0487 21.0487 21.5973 21.5973 21.9277 21.9277 29.0936 29.0936 k = 0.5093-0.2726 0.4082 ( 736 PWs) bands (ev): -42.8742 -42.8742 -18.8300 -18.8300 -16.4862 -16.4862 -16.1453 -16.1453 13.4818 13.4818 14.0973 14.0973 20.9376 20.9376 21.0652 21.0652 21.5911 21.5911 21.7984 21.7984 29.1164 29.1164 k = 0.5046-0.2807 0.4082 ( 740 PWs) bands (ev): -42.8744 -42.8744 -18.8301 -18.8301 -16.4865 -16.4865 -16.1450 -16.1450 13.4769 13.4769 14.0930 14.0930 21.0402 21.0402 21.0797 21.0797 21.5659 21.5659 21.7140 21.7140 29.1261 29.1261 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -42.8744 -42.8744 -18.8302 -18.8302 -16.4866 -16.4866 -16.1449 -16.1449 13.4753 13.4753 14.0915 14.0915 21.0674 21.0674 21.1020 21.1020 21.5430 21.5430 21.6898 21.6898 29.1286 29.1286 Writing output data file Mo.save init_run : 0.07s CPU 2.81s WALL ( 1 calls) electrons : 27.75s CPU 28.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 2.12s WALL ( 1 calls) potinit : 0.00s CPU 0.31s WALL ( 1 calls) Called by electrons: c_bands : 27.74s CPU 28.75s 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 : 0.01s CPU 0.01s WALL ( 500 calls) cegterg : 24.98s CPU 25.61s WALL ( 503 calls) Called by sum_band: Called by *egterg: h_psi : 10.30s CPU 11.00s WALL ( 6250 calls) s_psi : 0.29s CPU 0.33s WALL ( 6250 calls) g_psi : 0.02s CPU 0.02s WALL ( 5247 calls) cdiaghg : 14.31s CPU 14.33s WALL ( 5747 calls) cegterg:over : 0.64s CPU 0.71s WALL ( 5247 calls) cegterg:upda : 0.56s CPU 0.55s WALL ( 5247 calls) cegterg:last : 0.22s CPU 0.25s WALL ( 1005 calls) cdiaghg:chol : 0.64s CPU 0.73s WALL ( 5747 calls) cdiaghg:inve : 0.11s CPU 0.15s WALL ( 5747 calls) cdiaghg:para : 0.97s CPU 1.00s WALL ( 11494 calls) Called by h_psi: h_psi:vloc : 9.57s CPU 10.16s WALL ( 6250 calls) h_psi:vnl : 0.71s CPU 0.83s WALL ( 6250 calls) add_vuspsi : 0.35s CPU 0.44s WALL ( 6250 calls) General routines calbec : 0.34s CPU 0.37s WALL ( 6250 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.14s CPU 9.67s WALL ( 316132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.15s WALL ( 1000 calls) Parallel routines fft_scatter : 5.28s CPU 5.51s WALL ( 316155 calls) PWSCF : 34.94s CPU 51.80s WALL This run was terminated on: 20:55:23 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=