Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:42 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: ./NiO.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 19 11 3 333 143 24 Max 20 12 4 337 153 29 Sum 691 409 121 12051 5329 941 bravais-lattice index = 14 lattice parameter (alat) = 5.5951 a.u. unit-cell volume = 123.8533 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.595096 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 O 6.00 15.99940 O( 1.00) Ni 10.00 58.69340 Ni( 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= 496 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020161 k( 2) = ( 0.0065790 -0.0037984 0.0053717), wk = 0.0020161 k( 3) = ( 0.0131579 -0.0075967 0.0107434), wk = 0.0020161 k( 4) = ( 0.0197368 -0.0113951 0.0161151), wk = 0.0020161 k( 5) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0020161 k( 6) = ( 0.0328947 -0.0189918 0.0268584), wk = 0.0020161 k( 7) = ( 0.0394737 -0.0227901 0.0322301), wk = 0.0020161 k( 8) = ( 0.0460526 -0.0265885 0.0376018), wk = 0.0020161 k( 9) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0020161 k( 10) = ( 0.0592105 -0.0341852 0.0483452), wk = 0.0020161 k( 11) = ( 0.0657895 -0.0379836 0.0537169), wk = 0.0020161 k( 12) = ( 0.0723684 -0.0417819 0.0590886), wk = 0.0020161 k( 13) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0020161 k( 14) = ( 0.0855263 -0.0493786 0.0698319), wk = 0.0020161 k( 15) = ( 0.0921053 -0.0531770 0.0752036), wk = 0.0020161 k( 16) = ( 0.0986842 -0.0569754 0.0805753), wk = 0.0020161 k( 17) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0020161 k( 18) = ( 0.1118421 -0.0645721 0.0913187), wk = 0.0020161 k( 19) = ( 0.1184210 -0.0683704 0.0966904), wk = 0.0020161 k( 20) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0020161 k( 21) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0020161 k( 22) = ( 0.1381579 -0.0797655 0.1128054), wk = 0.0020161 k( 23) = ( 0.1447368 -0.0835639 0.1181771), wk = 0.0020161 k( 24) = ( 0.1513158 -0.0873622 0.1235488), wk = 0.0020161 k( 25) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0020161 k( 26) = ( 0.1644737 -0.0949589 0.1342922), wk = 0.0020161 k( 27) = ( 0.1710526 -0.0987573 0.1396639), wk = 0.0020161 k( 28) = ( 0.1776316 -0.1025556 0.1450356), wk = 0.0020161 k( 29) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0020161 k( 30) = ( 0.1907895 -0.1101524 0.1557789), wk = 0.0020161 k( 31) = ( 0.1973684 -0.1139507 0.1611506), wk = 0.0020161 k( 32) = ( 0.2039474 -0.1177491 0.1665223), wk = 0.0020161 k( 33) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0020161 k( 34) = ( 0.2171053 -0.1253458 0.1772657), wk = 0.0020161 k( 35) = ( 0.2236842 -0.1291441 0.1826374), wk = 0.0020161 k( 36) = ( 0.2302632 -0.1329425 0.1880091), wk = 0.0020161 k( 37) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0020161 k( 38) = ( 0.2434210 -0.1405392 0.1987525), wk = 0.0020161 k( 39) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020161 k( 40) = ( 0.2565789 -0.1481359 0.2094958), wk = 0.0020161 k( 41) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0020161 k( 42) = ( 0.2697368 -0.1557326 0.2202392), wk = 0.0020161 k( 43) = ( 0.2763158 -0.1595310 0.2256109), wk = 0.0020161 k( 44) = ( 0.2828947 -0.1633294 0.2309826), wk = 0.0020161 k( 45) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0020161 k( 46) = ( 0.2960526 -0.1709261 0.2417260), wk = 0.0020161 k( 47) = ( 0.3026316 -0.1747244 0.2470977), wk = 0.0020161 k( 48) = ( 0.3092105 -0.1785228 0.2524693), wk = 0.0020161 k( 49) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0020161 k( 50) = ( 0.3223684 -0.1861195 0.2632127), wk = 0.0020161 k( 51) = ( 0.3289474 -0.1899179 0.2685844), wk = 0.0020161 k( 52) = ( 0.3355263 -0.1937162 0.2739561), wk = 0.0020161 k( 53) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0020161 k( 54) = ( 0.3486842 -0.2013129 0.2846995), wk = 0.0020161 k( 55) = ( 0.3552632 -0.2051113 0.2900712), wk = 0.0020161 k( 56) = ( 0.3618421 -0.2089096 0.2954428), wk = 0.0020161 k( 57) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0020161 k( 58) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0020161 k( 59) = ( 0.3815789 -0.2203047 0.3115579), wk = 0.0020161 k( 60) = ( 0.3881579 -0.2241031 0.3169296), wk = 0.0020161 k( 61) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0020161 k( 62) = ( 0.4013158 -0.2316998 0.3276730), wk = 0.0020161 k( 63) = ( 0.4078947 -0.2354981 0.3330447), wk = 0.0020161 k( 64) = ( 0.4144737 -0.2392965 0.3384163), wk = 0.0020161 k( 65) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0020161 k( 66) = ( 0.4276316 -0.2468932 0.3491597), wk = 0.0020161 k( 67) = ( 0.4342105 -0.2506916 0.3545314), wk = 0.0020161 k( 68) = ( 0.4407895 -0.2544899 0.3599031), wk = 0.0020161 k( 69) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0020161 k( 70) = ( 0.4539474 -0.2620866 0.3706465), wk = 0.0020161 k( 71) = ( 0.4605263 -0.2658850 0.3760182), wk = 0.0020161 k( 72) = ( 0.4671053 -0.2696833 0.3813898), wk = 0.0020161 k( 73) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0020161 k( 74) = ( 0.4802632 -0.2772801 0.3921332), wk = 0.0020161 k( 75) = ( 0.4868421 -0.2810784 0.3975049), wk = 0.0020161 k( 76) = ( 0.4934211 -0.2848768 0.4028766), wk = 0.0020161 k( 77) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020161 k( 78) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020161 k( 79) = ( 0.5000000 -0.2810784 0.4136200), wk = 0.0020161 k( 80) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0020161 k( 81) = ( 0.5000000 -0.2658850 0.4243634), wk = 0.0020161 k( 82) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0020161 k( 83) = ( 0.5000000 -0.2506916 0.4351067), wk = 0.0020161 k( 84) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0020161 k( 85) = ( 0.5000000 -0.2354981 0.4458501), wk = 0.0020161 k( 86) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0020161 k( 87) = ( 0.5000000 -0.2203047 0.4565935), wk = 0.0020161 k( 88) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0020161 k( 89) = ( 0.5000000 -0.2051113 0.4673369), wk = 0.0020161 k( 90) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0020161 k( 91) = ( 0.5000000 -0.1899178 0.4780802), wk = 0.0020161 k( 92) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0020161 k( 93) = ( 0.5000000 -0.1747244 0.4888236), wk = 0.0020161 k( 94) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0020161 k( 95) = ( 0.5000000 -0.1595310 0.4995670), wk = 0.0020161 k( 96) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0020161 k( 97) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0020161 k( 98) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0020161 k( 99) = ( 0.5000000 -0.1291441 0.5210537), wk = 0.0020161 k( 100) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0020161 k( 101) = ( 0.5000000 -0.1139507 0.5317971), wk = 0.0020161 k( 102) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0020161 k( 103) = ( 0.5000000 -0.0987573 0.5425405), wk = 0.0020161 k( 104) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0020161 k( 105) = ( 0.5000000 -0.0835639 0.5532839), wk = 0.0020161 k( 106) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0020161 k( 107) = ( 0.5000000 -0.0683704 0.5640272), wk = 0.0020161 k( 108) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0020161 k( 109) = ( 0.5000000 -0.0531770 0.5747706), wk = 0.0020161 k( 110) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0020161 k( 111) = ( 0.5000000 -0.0379836 0.5855140), wk = 0.0020161 k( 112) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0020161 k( 113) = ( 0.5000000 -0.0227901 0.5962574), wk = 0.0020161 k( 114) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0020161 k( 115) = ( 0.5000000 -0.0075967 0.6070007), wk = 0.0020161 k( 116) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020161 k( 117) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020161 k( 118) = ( 0.4953704 0.0080188 0.6123724), wk = 0.0020161 k( 119) = ( 0.4907407 0.0160375 0.6123724), wk = 0.0020161 k( 120) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0020161 k( 121) = ( 0.4814815 0.0320750 0.6123724), wk = 0.0020161 k( 122) = ( 0.4768519 0.0400938 0.6123724), wk = 0.0020161 k( 123) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0020161 k( 124) = ( 0.4675926 0.0561313 0.6123724), wk = 0.0020161 k( 125) = ( 0.4629630 0.0641500 0.6123724), wk = 0.0020161 k( 126) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0020161 k( 127) = ( 0.4537037 0.0801875 0.6123724), wk = 0.0020161 k( 128) = ( 0.4490741 0.0882063 0.6123724), wk = 0.0020161 k( 129) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0020161 k( 130) = ( 0.4398148 0.1042438 0.6123724), wk = 0.0020161 k( 131) = ( 0.4351852 0.1122625 0.6123724), wk = 0.0020161 k( 132) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0020161 k( 133) = ( 0.4259259 0.1283001 0.6123724), wk = 0.0020161 k( 134) = ( 0.4212963 0.1363188 0.6123724), wk = 0.0020161 k( 135) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0020161 k( 136) = ( 0.4120370 0.1523563 0.6123724), wk = 0.0020161 k( 137) = ( 0.4074074 0.1603751 0.6123724), wk = 0.0020161 k( 138) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0020161 k( 139) = ( 0.3981481 0.1764126 0.6123724), wk = 0.0020161 k( 140) = ( 0.3935185 0.1844313 0.6123724), wk = 0.0020161 k( 141) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0020161 k( 142) = ( 0.3842593 0.2004688 0.6123724), wk = 0.0020161 k( 143) = ( 0.3796296 0.2084876 0.6123724), wk = 0.0020161 k( 144) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020161 k( 145) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020161 k( 146) = ( 0.3703125 0.2138000 0.6047178), wk = 0.0020161 k( 147) = ( 0.3656250 0.2110937 0.5970631), wk = 0.0020161 k( 148) = ( 0.3609375 0.2083874 0.5894085), wk = 0.0020161 k( 149) = ( 0.3562500 0.2056810 0.5817538), wk = 0.0020161 k( 150) = ( 0.3515625 0.2029747 0.5740992), wk = 0.0020161 k( 151) = ( 0.3468750 0.2002684 0.5664445), wk = 0.0020161 k( 152) = ( 0.3421875 0.1975620 0.5587898), wk = 0.0020161 k( 153) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0020161 k( 154) = ( 0.3328125 0.1921494 0.5434805), wk = 0.0020161 k( 155) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0020161 k( 156) = ( 0.3234375 0.1867367 0.5281712), wk = 0.0020161 k( 157) = ( 0.3187500 0.1840304 0.5205166), wk = 0.0020161 k( 158) = ( 0.3140625 0.1813241 0.5128619), wk = 0.0020161 k( 159) = ( 0.3093750 0.1786177 0.5052073), wk = 0.0020161 k( 160) = ( 0.3046875 0.1759114 0.4975526), wk = 0.0020161 k( 161) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0020161 k( 162) = ( 0.2953125 0.1704988 0.4822433), wk = 0.0020161 k( 163) = ( 0.2906250 0.1677924 0.4745886), wk = 0.0020161 k( 164) = ( 0.2859375 0.1650861 0.4669340), wk = 0.0020161 k( 165) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0020161 k( 166) = ( 0.2765625 0.1596734 0.4516247), wk = 0.0020161 k( 167) = ( 0.2718750 0.1569671 0.4439700), wk = 0.0020161 k( 168) = ( 0.2671875 0.1542608 0.4363154), wk = 0.0020161 k( 169) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0020161 k( 170) = ( 0.2578125 0.1488481 0.4210060), wk = 0.0020161 k( 171) = ( 0.2531250 0.1461418 0.4133514), wk = 0.0020161 k( 172) = ( 0.2484375 0.1434355 0.4056967), wk = 0.0020161 k( 173) = ( 0.2437500 0.1407291 0.3980421), wk = 0.0020161 k( 174) = ( 0.2390625 0.1380228 0.3903874), wk = 0.0020161 k( 175) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0020161 k( 176) = ( 0.2296875 0.1326101 0.3750781), wk = 0.0020161 k( 177) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0020161 k( 178) = ( 0.2203125 0.1271975 0.3597688), wk = 0.0020161 k( 179) = ( 0.2156250 0.1244912 0.3521142), wk = 0.0020161 k( 180) = ( 0.2109375 0.1217848 0.3444595), wk = 0.0020161 k( 181) = ( 0.2062500 0.1190785 0.3368048), wk = 0.0020161 k( 182) = ( 0.2015625 0.1163722 0.3291502), wk = 0.0020161 k( 183) = ( 0.1968750 0.1136658 0.3214955), wk = 0.0020161 k( 184) = ( 0.1921875 0.1109595 0.3138409), wk = 0.0020161 k( 185) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0020161 k( 186) = ( 0.1828125 0.1055468 0.2985316), wk = 0.0020161 k( 187) = ( 0.1781250 0.1028405 0.2908769), wk = 0.0020161 k( 188) = ( 0.1734375 0.1001342 0.2832223), wk = 0.0020161 k( 189) = ( 0.1687500 0.0974279 0.2755676), wk = 0.0020161 k( 190) = ( 0.1640625 0.0947215 0.2679129), wk = 0.0020161 k( 191) = ( 0.1593750 0.0920152 0.2602583), wk = 0.0020161 k( 192) = ( 0.1546875 0.0893089 0.2526036), wk = 0.0020161 k( 193) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0020161 k( 194) = ( 0.1453125 0.0838962 0.2372943), wk = 0.0020161 k( 195) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0020161 k( 196) = ( 0.1359375 0.0784836 0.2219850), wk = 0.0020161 k( 197) = ( 0.1312500 0.0757772 0.2143304), wk = 0.0020161 k( 198) = ( 0.1265625 0.0730709 0.2066757), wk = 0.0020161 k( 199) = ( 0.1218750 0.0703646 0.1990210), wk = 0.0020161 k( 200) = ( 0.1171875 0.0676582 0.1913664), wk = 0.0020161 k( 201) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0020161 k( 202) = ( 0.1078125 0.0622456 0.1760571), wk = 0.0020161 k( 203) = ( 0.1031250 0.0595392 0.1684024), wk = 0.0020161 k( 204) = ( 0.0984375 0.0568329 0.1607478), wk = 0.0020161 k( 205) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0020161 k( 206) = ( 0.0890625 0.0514203 0.1454385), wk = 0.0020161 k( 207) = ( 0.0843750 0.0487139 0.1377838), wk = 0.0020161 k( 208) = ( 0.0796875 0.0460076 0.1301291), wk = 0.0020161 k( 209) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0020161 k( 210) = ( 0.0703125 0.0405949 0.1148198), wk = 0.0020161 k( 211) = ( 0.0656250 0.0378886 0.1071652), wk = 0.0020161 k( 212) = ( 0.0609375 0.0351823 0.0995105), wk = 0.0020161 k( 213) = ( 0.0562500 0.0324760 0.0918559), wk = 0.0020161 k( 214) = ( 0.0515625 0.0297696 0.0842012), wk = 0.0020161 k( 215) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0020161 k( 216) = ( 0.0421875 0.0243570 0.0688919), wk = 0.0020161 k( 217) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0020161 k( 218) = ( 0.0328125 0.0189443 0.0535826), wk = 0.0020161 k( 219) = ( 0.0281250 0.0162380 0.0459279), wk = 0.0020161 k( 220) = ( 0.0234375 0.0135316 0.0382733), wk = 0.0020161 k( 221) = ( 0.0187500 0.0108253 0.0306186), wk = 0.0020161 k( 222) = ( 0.0140625 0.0081190 0.0229640), wk = 0.0020161 k( 223) = ( 0.0093750 0.0054127 0.0153093), wk = 0.0020161 k( 224) = ( 0.0046875 0.0027063 0.0076547), wk = 0.0020161 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020161 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020161 k( 227) = ( 0.0076923 0.0044412 0.0031404), wk = 0.0020161 k( 228) = ( 0.0153846 0.0088823 0.0062807), wk = 0.0020161 k( 229) = ( 0.0230769 0.0133235 0.0094211), wk = 0.0020161 k( 230) = ( 0.0307692 0.0177646 0.0125615), wk = 0.0020161 k( 231) = ( 0.0384615 0.0222058 0.0157019), wk = 0.0020161 k( 232) = ( 0.0461539 0.0266469 0.0188422), wk = 0.0020161 k( 233) = ( 0.0538462 0.0310881 0.0219826), wk = 0.0020161 k( 234) = ( 0.0615385 0.0355292 0.0251230), wk = 0.0020161 k( 235) = ( 0.0692308 0.0399704 0.0282633), wk = 0.0020161 k( 236) = ( 0.0769231 0.0444116 0.0314037), wk = 0.0020161 k( 237) = ( 0.0846154 0.0488527 0.0345441), wk = 0.0020161 k( 238) = ( 0.0923077 0.0532939 0.0376845), wk = 0.0020161 k( 239) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0020161 k( 240) = ( 0.1076923 0.0621762 0.0439652), wk = 0.0020161 k( 241) = ( 0.1153846 0.0666173 0.0471056), wk = 0.0020161 k( 242) = ( 0.1230769 0.0710585 0.0502459), wk = 0.0020161 k( 243) = ( 0.1307692 0.0754997 0.0533863), wk = 0.0020161 k( 244) = ( 0.1384615 0.0799408 0.0565267), wk = 0.0020161 k( 245) = ( 0.1461539 0.0843820 0.0596671), wk = 0.0020161 k( 246) = ( 0.1538461 0.0888231 0.0628074), wk = 0.0020161 k( 247) = ( 0.1615385 0.0932643 0.0659478), wk = 0.0020161 k( 248) = ( 0.1692308 0.0977054 0.0690882), wk = 0.0020161 k( 249) = ( 0.1769231 0.1021466 0.0722285), wk = 0.0020161 k( 250) = ( 0.1846154 0.1065877 0.0753689), wk = 0.0020161 k( 251) = ( 0.1923077 0.1110289 0.0785093), wk = 0.0020161 k( 252) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0020161 k( 253) = ( 0.2076923 0.1199112 0.0847900), wk = 0.0020161 k( 254) = ( 0.2153846 0.1243524 0.0879304), wk = 0.0020161 k( 255) = ( 0.2230769 0.1287935 0.0910708), wk = 0.0020161 k( 256) = ( 0.2307692 0.1332347 0.0942111), wk = 0.0020161 k( 257) = ( 0.2384615 0.1376758 0.0973515), wk = 0.0020161 k( 258) = ( 0.2461539 0.1421170 0.1004919), wk = 0.0020161 k( 259) = ( 0.2538461 0.1465581 0.1036323), wk = 0.0020161 k( 260) = ( 0.2615385 0.1509993 0.1067726), wk = 0.0020161 k( 261) = ( 0.2692308 0.1554405 0.1099130), wk = 0.0020161 k( 262) = ( 0.2769231 0.1598816 0.1130534), wk = 0.0020161 k( 263) = ( 0.2846154 0.1643228 0.1161937), wk = 0.0020161 k( 264) = ( 0.2923077 0.1687639 0.1193341), wk = 0.0020161 k( 265) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0020161 k( 266) = ( 0.3076923 0.1776462 0.1256149), wk = 0.0020161 k( 267) = ( 0.3153846 0.1820874 0.1287552), wk = 0.0020161 k( 268) = ( 0.3230769 0.1865285 0.1318956), wk = 0.0020161 k( 269) = ( 0.3307692 0.1909697 0.1350360), wk = 0.0020161 k( 270) = ( 0.3384615 0.1954109 0.1381763), wk = 0.0020161 k( 271) = ( 0.3461538 0.1998520 0.1413167), wk = 0.0020161 k( 272) = ( 0.3538462 0.2042932 0.1444571), wk = 0.0020161 k( 273) = ( 0.3615385 0.2087343 0.1475975), wk = 0.0020161 k( 274) = ( 0.3692308 0.2131755 0.1507378), wk = 0.0020161 k( 275) = ( 0.3769231 0.2176166 0.1538782), wk = 0.0020161 k( 276) = ( 0.3846154 0.2220578 0.1570186), wk = 0.0020161 k( 277) = ( 0.3923077 0.2264990 0.1601589), wk = 0.0020161 k( 278) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0020161 k( 279) = ( 0.4076923 0.2353813 0.1664397), wk = 0.0020161 k( 280) = ( 0.4153846 0.2398224 0.1695801), wk = 0.0020161 k( 281) = ( 0.4230769 0.2442636 0.1727204), wk = 0.0020161 k( 282) = ( 0.4307692 0.2487047 0.1758608), wk = 0.0020161 k( 283) = ( 0.4384615 0.2531459 0.1790012), wk = 0.0020161 k( 284) = ( 0.4461539 0.2575870 0.1821415), wk = 0.0020161 k( 285) = ( 0.4538462 0.2620282 0.1852819), wk = 0.0020161 k( 286) = ( 0.4615385 0.2664694 0.1884223), wk = 0.0020161 k( 287) = ( 0.4692308 0.2709105 0.1915627), wk = 0.0020161 k( 288) = ( 0.4769231 0.2753517 0.1947030), wk = 0.0020161 k( 289) = ( 0.4846154 0.2797928 0.1978434), wk = 0.0020161 k( 290) = ( 0.4923077 0.2842340 0.2009838), wk = 0.0020161 k( 291) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020161 k( 292) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020161 k( 293) = ( 0.5027174 0.2808307 0.2085616), wk = 0.0020161 k( 294) = ( 0.5054348 0.2729863 0.2129991), wk = 0.0020161 k( 295) = ( 0.5081522 0.2651418 0.2174366), wk = 0.0020161 k( 296) = ( 0.5108696 0.2572974 0.2218741), wk = 0.0020161 k( 297) = ( 0.5135870 0.2494530 0.2263116), wk = 0.0020161 k( 298) = ( 0.5163043 0.2416085 0.2307490), wk = 0.0020161 k( 299) = ( 0.5190217 0.2337641 0.2351865), wk = 0.0020161 k( 300) = ( 0.5217391 0.2259197 0.2396240), wk = 0.0020161 k( 301) = ( 0.5244565 0.2180752 0.2440615), wk = 0.0020161 k( 302) = ( 0.5271739 0.2102308 0.2484990), wk = 0.0020161 k( 303) = ( 0.5298913 0.2023864 0.2529364), wk = 0.0020161 k( 304) = ( 0.5326087 0.1945419 0.2573739), wk = 0.0020161 k( 305) = ( 0.5353261 0.1866975 0.2618114), wk = 0.0020161 k( 306) = ( 0.5380435 0.1788531 0.2662489), wk = 0.0020161 k( 307) = ( 0.5407609 0.1710086 0.2706864), wk = 0.0020161 k( 308) = ( 0.5434783 0.1631642 0.2751238), wk = 0.0020161 k( 309) = ( 0.5461957 0.1553198 0.2795613), wk = 0.0020161 k( 310) = ( 0.5489130 0.1474753 0.2839988), wk = 0.0020161 k( 311) = ( 0.5516304 0.1396309 0.2884363), wk = 0.0020161 k( 312) = ( 0.5543478 0.1317865 0.2928738), wk = 0.0020161 k( 313) = ( 0.5570652 0.1239420 0.2973113), wk = 0.0020161 k( 314) = ( 0.5597826 0.1160976 0.3017487), wk = 0.0020161 k( 315) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0020161 k( 316) = ( 0.5652174 0.1004087 0.3106237), wk = 0.0020161 k( 317) = ( 0.5679348 0.0925643 0.3150612), wk = 0.0020161 k( 318) = ( 0.5706522 0.0847199 0.3194987), wk = 0.0020161 k( 319) = ( 0.5733696 0.0768754 0.3239361), wk = 0.0020161 k( 320) = ( 0.5760870 0.0690310 0.3283736), wk = 0.0020161 k( 321) = ( 0.5788043 0.0611866 0.3328111), wk = 0.0020161 k( 322) = ( 0.5815217 0.0533421 0.3372486), wk = 0.0020161 k( 323) = ( 0.5842391 0.0454977 0.3416861), wk = 0.0020161 k( 324) = ( 0.5869565 0.0376533 0.3461235), wk = 0.0020161 k( 325) = ( 0.5896739 0.0298088 0.3505610), wk = 0.0020161 k( 326) = ( 0.5923913 0.0219644 0.3549985), wk = 0.0020161 k( 327) = ( 0.5951087 0.0141200 0.3594360), wk = 0.0020161 k( 328) = ( 0.5978261 0.0062755 0.3638735), wk = 0.0020161 k( 329) = ( 0.6005435 -0.0015689 0.3683110), wk = 0.0020161 k( 330) = ( 0.6032609 -0.0094133 0.3727484), wk = 0.0020161 k( 331) = ( 0.6059783 -0.0172578 0.3771859), wk = 0.0020161 k( 332) = ( 0.6086957 -0.0251022 0.3816234), wk = 0.0020161 k( 333) = ( 0.6114130 -0.0329466 0.3860609), wk = 0.0020161 k( 334) = ( 0.6141304 -0.0407910 0.3904984), wk = 0.0020161 k( 335) = ( 0.6168478 -0.0486355 0.3949358), wk = 0.0020161 k( 336) = ( 0.6195652 -0.0564799 0.3993733), wk = 0.0020161 k( 337) = ( 0.6222826 -0.0643244 0.4038108), wk = 0.0020161 k( 338) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020161 k( 339) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020161 k( 340) = ( 0.6203704 -0.0694959 0.4158084), wk = 0.0020161 k( 341) = ( 0.6157407 -0.0668229 0.4233686), wk = 0.0020161 k( 342) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0020161 k( 343) = ( 0.6064815 -0.0614771 0.4384889), wk = 0.0020161 k( 344) = ( 0.6018518 -0.0588042 0.4460491), wk = 0.0020161 k( 345) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0020161 k( 346) = ( 0.5925926 -0.0534584 0.4611694), wk = 0.0020161 k( 347) = ( 0.5879630 -0.0507854 0.4687295), wk = 0.0020161 k( 348) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0020161 k( 349) = ( 0.5787037 -0.0454396 0.4838498), wk = 0.0020161 k( 350) = ( 0.5740741 -0.0427667 0.4914100), wk = 0.0020161 k( 351) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0020161 k( 352) = ( 0.5648148 -0.0374208 0.5065303), wk = 0.0020161 k( 353) = ( 0.5601852 -0.0347479 0.5140904), wk = 0.0020161 k( 354) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0020161 k( 355) = ( 0.5509259 -0.0294021 0.5292107), wk = 0.0020161 k( 356) = ( 0.5462963 -0.0267292 0.5367709), wk = 0.0020161 k( 357) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0020161 k( 358) = ( 0.5370370 -0.0213833 0.5518912), wk = 0.0020161 k( 359) = ( 0.5324074 -0.0187104 0.5594514), wk = 0.0020161 k( 360) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0020161 k( 361) = ( 0.5231482 -0.0133646 0.5745717), wk = 0.0020161 k( 362) = ( 0.5185185 -0.0106917 0.5821318), wk = 0.0020161 k( 363) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0020161 k( 364) = ( 0.5092593 -0.0053458 0.5972521), wk = 0.0020161 k( 365) = ( 0.5046296 -0.0026729 0.6048123), wk = 0.0020161 k( 366) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020161 k( 367) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020161 k( 368) = ( 0.5000000 0.0053458 0.6048123), wk = 0.0020161 k( 369) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0020161 k( 370) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0020161 k( 371) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0020161 k( 372) = ( 0.5000000 0.0267292 0.5745717), wk = 0.0020161 k( 373) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0020161 k( 374) = ( 0.5000000 0.0374209 0.5594514), wk = 0.0020161 k( 375) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0020161 k( 376) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0020161 k( 377) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0020161 k( 378) = ( 0.5000000 0.0588042 0.5292107), wk = 0.0020161 k( 379) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0020161 k( 380) = ( 0.5000000 0.0694959 0.5140904), wk = 0.0020161 k( 381) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0020161 k( 382) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0020161 k( 383) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0020161 k( 384) = ( 0.5000000 0.0908792 0.4838498), wk = 0.0020161 k( 385) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0020161 k( 386) = ( 0.5000000 0.1015709 0.4687295), wk = 0.0020161 k( 387) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0020161 k( 388) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0020161 k( 389) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0020161 k( 390) = ( 0.5000000 0.1229542 0.4384889), wk = 0.0020161 k( 391) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0020161 k( 392) = ( 0.5000000 0.1336459 0.4233686), wk = 0.0020161 k( 393) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0020161 k( 394) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0020161 k( 395) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0020161 k( 396) = ( 0.5000000 0.1550292 0.3931280), wk = 0.0020161 k( 397) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0020161 k( 398) = ( 0.5000000 0.1657209 0.3780077), wk = 0.0020161 k( 399) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0020161 k( 400) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0020161 k( 401) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0020161 k( 402) = ( 0.5000000 0.1871043 0.3477671), wk = 0.0020161 k( 403) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0020161 k( 404) = ( 0.5000000 0.1977959 0.3326467), wk = 0.0020161 k( 405) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0020161 k( 406) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0020161 k( 407) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0020161 k( 408) = ( 0.5000000 0.2191793 0.3024061), wk = 0.0020161 k( 409) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0020161 k( 410) = ( 0.5000000 0.2298709 0.2872858), wk = 0.0020161 k( 411) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0020161 k( 412) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0020161 k( 413) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0020161 k( 414) = ( 0.5000000 0.2512543 0.2570452), wk = 0.0020161 k( 415) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0020161 k( 416) = ( 0.5000000 0.2619460 0.2419249), wk = 0.0020161 k( 417) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0020161 k( 418) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0020161 k( 419) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0020161 k( 420) = ( 0.5000000 0.2833293 0.2116843), wk = 0.0020161 k( 421) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020161 k( 422) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020161 k( 423) = ( 0.4972826 0.2871062 0.2129991), wk = 0.0020161 k( 424) = ( 0.4945652 0.2855374 0.2218741), wk = 0.0020161 k( 425) = ( 0.4918478 0.2839685 0.2307490), wk = 0.0020161 k( 426) = ( 0.4891304 0.2823996 0.2396240), wk = 0.0020161 k( 427) = ( 0.4864130 0.2808307 0.2484990), wk = 0.0020161 k( 428) = ( 0.4836956 0.2792618 0.2573739), wk = 0.0020161 k( 429) = ( 0.4809783 0.2776929 0.2662489), wk = 0.0020161 k( 430) = ( 0.4782609 0.2761240 0.2751238), wk = 0.0020161 k( 431) = ( 0.4755435 0.2745552 0.2839988), wk = 0.0020161 k( 432) = ( 0.4728261 0.2729863 0.2928738), wk = 0.0020161 k( 433) = ( 0.4701087 0.2714174 0.3017487), wk = 0.0020161 k( 434) = ( 0.4673913 0.2698485 0.3106237), wk = 0.0020161 k( 435) = ( 0.4646739 0.2682796 0.3194987), wk = 0.0020161 k( 436) = ( 0.4619565 0.2667107 0.3283736), wk = 0.0020161 k( 437) = ( 0.4592391 0.2651418 0.3372486), wk = 0.0020161 k( 438) = ( 0.4565217 0.2635729 0.3461235), wk = 0.0020161 k( 439) = ( 0.4538044 0.2620041 0.3549985), wk = 0.0020161 k( 440) = ( 0.4510870 0.2604352 0.3638735), wk = 0.0020161 k( 441) = ( 0.4483696 0.2588663 0.3727484), wk = 0.0020161 k( 442) = ( 0.4456522 0.2572974 0.3816234), wk = 0.0020161 k( 443) = ( 0.4429348 0.2557285 0.3904984), wk = 0.0020161 k( 444) = ( 0.4402174 0.2541596 0.3993733), wk = 0.0020161 k( 445) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0020161 k( 446) = ( 0.4347826 0.2510219 0.4171232), wk = 0.0020161 k( 447) = ( 0.4320652 0.2494530 0.4259982), wk = 0.0020161 k( 448) = ( 0.4293478 0.2478841 0.4348732), wk = 0.0020161 k( 449) = ( 0.4266304 0.2463152 0.4437481), wk = 0.0020161 k( 450) = ( 0.4239130 0.2447463 0.4526231), wk = 0.0020161 k( 451) = ( 0.4211956 0.2431774 0.4614981), wk = 0.0020161 k( 452) = ( 0.4184783 0.2416085 0.4703730), wk = 0.0020161 k( 453) = ( 0.4157609 0.2400397 0.4792480), wk = 0.0020161 k( 454) = ( 0.4130435 0.2384708 0.4881230), wk = 0.0020161 k( 455) = ( 0.4103261 0.2369019 0.4969979), wk = 0.0020161 k( 456) = ( 0.4076087 0.2353330 0.5058729), wk = 0.0020161 k( 457) = ( 0.4048913 0.2337641 0.5147478), wk = 0.0020161 k( 458) = ( 0.4021739 0.2321952 0.5236228), wk = 0.0020161 k( 459) = ( 0.3994565 0.2306263 0.5324978), wk = 0.0020161 k( 460) = ( 0.3967391 0.2290574 0.5413727), wk = 0.0020161 k( 461) = ( 0.3940217 0.2274886 0.5502477), wk = 0.0020161 k( 462) = ( 0.3913044 0.2259197 0.5591227), wk = 0.0020161 k( 463) = ( 0.3885870 0.2243508 0.5679976), wk = 0.0020161 k( 464) = ( 0.3858696 0.2227819 0.5768726), wk = 0.0020161 k( 465) = ( 0.3831522 0.2212130 0.5857475), wk = 0.0020161 k( 466) = ( 0.3804348 0.2196441 0.5946225), wk = 0.0020161 k( 467) = ( 0.3777174 0.2180752 0.6034975), wk = 0.0020161 k( 468) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020161 k( 469) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020161 k( 470) = ( 0.6203704 -0.0801875 0.4082483), wk = 0.0020161 k( 471) = ( 0.6157407 -0.0882063 0.4082483), wk = 0.0020161 k( 472) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0020161 k( 473) = ( 0.6064815 -0.1042438 0.4082483), wk = 0.0020161 k( 474) = ( 0.6018518 -0.1122626 0.4082483), wk = 0.0020161 k( 475) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0020161 k( 476) = ( 0.5925926 -0.1283001 0.4082483), wk = 0.0020161 k( 477) = ( 0.5879630 -0.1363188 0.4082483), wk = 0.0020161 k( 478) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0020161 k( 479) = ( 0.5787037 -0.1523563 0.4082483), wk = 0.0020161 k( 480) = ( 0.5740741 -0.1603751 0.4082483), wk = 0.0020161 k( 481) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0020161 k( 482) = ( 0.5648148 -0.1764126 0.4082483), wk = 0.0020161 k( 483) = ( 0.5601852 -0.1844313 0.4082483), wk = 0.0020161 k( 484) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0020161 k( 485) = ( 0.5509259 -0.2004688 0.4082483), wk = 0.0020161 k( 486) = ( 0.5462963 -0.2084876 0.4082483), wk = 0.0020161 k( 487) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0020161 k( 488) = ( 0.5370370 -0.2245251 0.4082483), wk = 0.0020161 k( 489) = ( 0.5324074 -0.2325439 0.4082483), wk = 0.0020161 k( 490) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0020161 k( 491) = ( 0.5231482 -0.2485814 0.4082483), wk = 0.0020161 k( 492) = ( 0.5185185 -0.2566001 0.4082483), wk = 0.0020161 k( 493) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0020161 k( 494) = ( 0.5092593 -0.2726376 0.4082483), wk = 0.0020161 k( 495) = ( 0.5046296 -0.2806564 0.4082483), wk = 0.0020161 k( 496) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020161 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020161 k( 2) = ( 0.0065790 -0.0000000 0.0065790), wk = 0.0020161 k( 3) = ( 0.0131579 -0.0000000 0.0131579), wk = 0.0020161 k( 4) = ( 0.0197368 -0.0000000 0.0197368), wk = 0.0020161 k( 5) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0020161 k( 6) = ( 0.0328947 -0.0000000 0.0328947), wk = 0.0020161 k( 7) = ( 0.0394737 -0.0000000 0.0394737), wk = 0.0020161 k( 8) = ( 0.0460526 -0.0000000 0.0460526), wk = 0.0020161 k( 9) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0020161 k( 10) = ( 0.0592105 -0.0000000 0.0592105), wk = 0.0020161 k( 11) = ( 0.0657895 -0.0000000 0.0657895), wk = 0.0020161 k( 12) = ( 0.0723684 -0.0000000 0.0723684), wk = 0.0020161 k( 13) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0020161 k( 14) = ( 0.0855263 -0.0000000 0.0855263), wk = 0.0020161 k( 15) = ( 0.0921053 -0.0000000 0.0921053), wk = 0.0020161 k( 16) = ( 0.0986842 -0.0000000 0.0986842), wk = 0.0020161 k( 17) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0020161 k( 18) = ( 0.1118421 -0.0000000 0.1118421), wk = 0.0020161 k( 19) = ( 0.1184210 -0.0000000 0.1184211), wk = 0.0020161 k( 20) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0020161 k( 21) = ( 0.1315790 -0.0000000 0.1315790), wk = 0.0020161 k( 22) = ( 0.1381579 -0.0000000 0.1381579), wk = 0.0020161 k( 23) = ( 0.1447368 -0.0000000 0.1447368), wk = 0.0020161 k( 24) = ( 0.1513158 -0.0000000 0.1513158), wk = 0.0020161 k( 25) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0020161 k( 26) = ( 0.1644737 -0.0000000 0.1644737), wk = 0.0020161 k( 27) = ( 0.1710526 -0.0000000 0.1710526), wk = 0.0020161 k( 28) = ( 0.1776316 -0.0000000 0.1776316), wk = 0.0020161 k( 29) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0020161 k( 30) = ( 0.1907895 -0.0000000 0.1907895), wk = 0.0020161 k( 31) = ( 0.1973684 -0.0000000 0.1973684), wk = 0.0020161 k( 32) = ( 0.2039474 -0.0000000 0.2039474), wk = 0.0020161 k( 33) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0020161 k( 34) = ( 0.2171053 -0.0000000 0.2171053), wk = 0.0020161 k( 35) = ( 0.2236842 -0.0000000 0.2236842), wk = 0.0020161 k( 36) = ( 0.2302632 -0.0000000 0.2302632), wk = 0.0020161 k( 37) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0020161 k( 38) = ( 0.2434210 -0.0000000 0.2434210), wk = 0.0020161 k( 39) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020161 k( 40) = ( 0.2565789 0.0000000 0.2565789), wk = 0.0020161 k( 41) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0020161 k( 42) = ( 0.2697368 -0.0000000 0.2697368), wk = 0.0020161 k( 43) = ( 0.2763158 0.0000000 0.2763158), wk = 0.0020161 k( 44) = ( 0.2828947 -0.0000000 0.2828947), wk = 0.0020161 k( 45) = ( 0.2894737 -0.0000000 0.2894737), wk = 0.0020161 k( 46) = ( 0.2960526 -0.0000000 0.2960526), wk = 0.0020161 k( 47) = ( 0.3026316 -0.0000000 0.3026316), wk = 0.0020161 k( 48) = ( 0.3092105 -0.0000000 0.3092105), wk = 0.0020161 k( 49) = ( 0.3157895 -0.0000000 0.3157895), wk = 0.0020161 k( 50) = ( 0.3223684 -0.0000000 0.3223684), wk = 0.0020161 k( 51) = ( 0.3289474 -0.0000000 0.3289474), wk = 0.0020161 k( 52) = ( 0.3355263 -0.0000000 0.3355263), wk = 0.0020161 k( 53) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0020161 k( 54) = ( 0.3486842 -0.0000000 0.3486842), wk = 0.0020161 k( 55) = ( 0.3552632 -0.0000000 0.3552632), wk = 0.0020161 k( 56) = ( 0.3618421 -0.0000000 0.3618421), wk = 0.0020161 k( 57) = ( 0.3684211 -0.0000000 0.3684211), wk = 0.0020161 k( 58) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0020161 k( 59) = ( 0.3815789 0.0000000 0.3815789), wk = 0.0020161 k( 60) = ( 0.3881579 0.0000000 0.3881579), wk = 0.0020161 k( 61) = ( 0.3947368 -0.0000000 0.3947368), wk = 0.0020161 k( 62) = ( 0.4013158 -0.0000000 0.4013158), wk = 0.0020161 k( 63) = ( 0.4078947 -0.0000000 0.4078947), wk = 0.0020161 k( 64) = ( 0.4144737 -0.0000000 0.4144737), wk = 0.0020161 k( 65) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0020161 k( 66) = ( 0.4276316 -0.0000000 0.4276316), wk = 0.0020161 k( 67) = ( 0.4342105 -0.0000000 0.4342105), wk = 0.0020161 k( 68) = ( 0.4407895 -0.0000000 0.4407895), wk = 0.0020161 k( 69) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0020161 k( 70) = ( 0.4539474 -0.0000000 0.4539474), wk = 0.0020161 k( 71) = ( 0.4605263 -0.0000000 0.4605263), wk = 0.0020161 k( 72) = ( 0.4671053 -0.0000000 0.4671053), wk = 0.0020161 k( 73) = ( 0.4736842 -0.0000000 0.4736842), wk = 0.0020161 k( 74) = ( 0.4802632 -0.0000000 0.4802632), wk = 0.0020161 k( 75) = ( 0.4868421 -0.0000000 0.4868421), wk = 0.0020161 k( 76) = ( 0.4934211 -0.0000000 0.4934211), wk = 0.0020161 k( 77) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020161 k( 78) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020161 k( 79) = ( 0.5000000 0.0065789 0.5065789), wk = 0.0020161 k( 80) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0020161 k( 81) = ( 0.5000000 0.0197368 0.5197368), wk = 0.0020161 k( 82) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0020161 k( 83) = ( 0.5000000 0.0328947 0.5328947), wk = 0.0020161 k( 84) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0020161 k( 85) = ( 0.5000000 0.0460526 0.5460526), wk = 0.0020161 k( 86) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0020161 k( 87) = ( 0.5000000 0.0592105 0.5592105), wk = 0.0020161 k( 88) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0020161 k( 89) = ( 0.5000000 0.0723684 0.5723684), wk = 0.0020161 k( 90) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0020161 k( 91) = ( 0.5000000 0.0855263 0.5855263), wk = 0.0020161 k( 92) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0020161 k( 93) = ( 0.5000000 0.0986842 0.5986842), wk = 0.0020161 k( 94) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0020161 k( 95) = ( 0.5000000 0.1118421 0.6118421), wk = 0.0020161 k( 96) = ( 0.5000000 0.1184210 0.6184211), wk = 0.0020161 k( 97) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0020161 k( 98) = ( 0.5000000 0.1315790 0.6315790), wk = 0.0020161 k( 99) = ( 0.5000000 0.1381579 0.6381579), wk = 0.0020161 k( 100) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0020161 k( 101) = ( 0.5000000 0.1513158 0.6513158), wk = 0.0020161 k( 102) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0020161 k( 103) = ( 0.5000000 0.1644737 0.6644737), wk = 0.0020161 k( 104) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0020161 k( 105) = ( 0.5000000 0.1776316 0.6776316), wk = 0.0020161 k( 106) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0020161 k( 107) = ( 0.5000000 0.1907895 0.6907895), wk = 0.0020161 k( 108) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0020161 k( 109) = ( 0.5000000 0.2039474 0.7039474), wk = 0.0020161 k( 110) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0020161 k( 111) = ( 0.5000000 0.2171053 0.7171053), wk = 0.0020161 k( 112) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0020161 k( 113) = ( 0.5000000 0.2302632 0.7302632), wk = 0.0020161 k( 114) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0020161 k( 115) = ( 0.5000000 0.2434210 0.7434211), wk = 0.0020161 k( 116) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020161 k( 117) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020161 k( 118) = ( 0.4953704 0.2546296 0.7500000), wk = 0.0020161 k( 119) = ( 0.4907407 0.2592593 0.7500000), wk = 0.0020161 k( 120) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0020161 k( 121) = ( 0.4814815 0.2685185 0.7500000), wk = 0.0020161 k( 122) = ( 0.4768519 0.2731481 0.7500000), wk = 0.0020161 k( 123) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0020161 k( 124) = ( 0.4675926 0.2824074 0.7500000), wk = 0.0020161 k( 125) = ( 0.4629630 0.2870370 0.7500000), wk = 0.0020161 k( 126) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0020161 k( 127) = ( 0.4537037 0.2962963 0.7500000), wk = 0.0020161 k( 128) = ( 0.4490741 0.3009259 0.7500000), wk = 0.0020161 k( 129) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0020161 k( 130) = ( 0.4398148 0.3101852 0.7500000), wk = 0.0020161 k( 131) = ( 0.4351852 0.3148148 0.7500000), wk = 0.0020161 k( 132) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0020161 k( 133) = ( 0.4259259 0.3240741 0.7500000), wk = 0.0020161 k( 134) = ( 0.4212963 0.3287037 0.7500000), wk = 0.0020161 k( 135) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0020161 k( 136) = ( 0.4120370 0.3379630 0.7500000), wk = 0.0020161 k( 137) = ( 0.4074074 0.3425926 0.7500000), wk = 0.0020161 k( 138) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0020161 k( 139) = ( 0.3981481 0.3518519 0.7500000), wk = 0.0020161 k( 140) = ( 0.3935185 0.3564815 0.7500000), wk = 0.0020161 k( 141) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0020161 k( 142) = ( 0.3842593 0.3657407 0.7500000), wk = 0.0020161 k( 143) = ( 0.3796296 0.3703704 0.7500000), wk = 0.0020161 k( 144) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020161 k( 145) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020161 k( 146) = ( 0.3703125 0.3703125 0.7406250), wk = 0.0020161 k( 147) = ( 0.3656250 0.3656250 0.7312500), wk = 0.0020161 k( 148) = ( 0.3609375 0.3609375 0.7218750), wk = 0.0020161 k( 149) = ( 0.3562500 0.3562500 0.7125000), wk = 0.0020161 k( 150) = ( 0.3515625 0.3515625 0.7031250), wk = 0.0020161 k( 151) = ( 0.3468750 0.3468750 0.6937500), wk = 0.0020161 k( 152) = ( 0.3421875 0.3421875 0.6843750), wk = 0.0020161 k( 153) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0020161 k( 154) = ( 0.3328125 0.3328125 0.6656250), wk = 0.0020161 k( 155) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0020161 k( 156) = ( 0.3234375 0.3234375 0.6468750), wk = 0.0020161 k( 157) = ( 0.3187500 0.3187500 0.6375000), wk = 0.0020161 k( 158) = ( 0.3140625 0.3140625 0.6281250), wk = 0.0020161 k( 159) = ( 0.3093750 0.3093750 0.6187500), wk = 0.0020161 k( 160) = ( 0.3046875 0.3046875 0.6093750), wk = 0.0020161 k( 161) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0020161 k( 162) = ( 0.2953125 0.2953125 0.5906250), wk = 0.0020161 k( 163) = ( 0.2906250 0.2906250 0.5812500), wk = 0.0020161 k( 164) = ( 0.2859375 0.2859375 0.5718750), wk = 0.0020161 k( 165) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0020161 k( 166) = ( 0.2765625 0.2765625 0.5531250), wk = 0.0020161 k( 167) = ( 0.2718750 0.2718750 0.5437500), wk = 0.0020161 k( 168) = ( 0.2671875 0.2671875 0.5343750), wk = 0.0020161 k( 169) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0020161 k( 170) = ( 0.2578125 0.2578125 0.5156250), wk = 0.0020161 k( 171) = ( 0.2531250 0.2531250 0.5062500), wk = 0.0020161 k( 172) = ( 0.2484375 0.2484375 0.4968750), wk = 0.0020161 k( 173) = ( 0.2437500 0.2437500 0.4875000), wk = 0.0020161 k( 174) = ( 0.2390625 0.2390625 0.4781250), wk = 0.0020161 k( 175) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0020161 k( 176) = ( 0.2296875 0.2296875 0.4593750), wk = 0.0020161 k( 177) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0020161 k( 178) = ( 0.2203125 0.2203125 0.4406250), wk = 0.0020161 k( 179) = ( 0.2156250 0.2156250 0.4312500), wk = 0.0020161 k( 180) = ( 0.2109375 0.2109375 0.4218750), wk = 0.0020161 k( 181) = ( 0.2062500 0.2062500 0.4125000), wk = 0.0020161 k( 182) = ( 0.2015625 0.2015625 0.4031250), wk = 0.0020161 k( 183) = ( 0.1968750 0.1968750 0.3937500), wk = 0.0020161 k( 184) = ( 0.1921875 0.1921875 0.3843750), wk = 0.0020161 k( 185) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0020161 k( 186) = ( 0.1828125 0.1828125 0.3656250), wk = 0.0020161 k( 187) = ( 0.1781250 0.1781250 0.3562500), wk = 0.0020161 k( 188) = ( 0.1734375 0.1734375 0.3468750), wk = 0.0020161 k( 189) = ( 0.1687500 0.1687500 0.3375000), wk = 0.0020161 k( 190) = ( 0.1640625 0.1640625 0.3281250), wk = 0.0020161 k( 191) = ( 0.1593750 0.1593750 0.3187500), wk = 0.0020161 k( 192) = ( 0.1546875 0.1546875 0.3093750), wk = 0.0020161 k( 193) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0020161 k( 194) = ( 0.1453125 0.1453125 0.2906250), wk = 0.0020161 k( 195) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0020161 k( 196) = ( 0.1359375 0.1359375 0.2718750), wk = 0.0020161 k( 197) = ( 0.1312500 0.1312500 0.2625000), wk = 0.0020161 k( 198) = ( 0.1265625 0.1265625 0.2531250), wk = 0.0020161 k( 199) = ( 0.1218750 0.1218750 0.2437500), wk = 0.0020161 k( 200) = ( 0.1171875 0.1171875 0.2343750), wk = 0.0020161 k( 201) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0020161 k( 202) = ( 0.1078125 0.1078125 0.2156250), wk = 0.0020161 k( 203) = ( 0.1031250 0.1031250 0.2062500), wk = 0.0020161 k( 204) = ( 0.0984375 0.0984375 0.1968750), wk = 0.0020161 k( 205) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0020161 k( 206) = ( 0.0890625 0.0890625 0.1781250), wk = 0.0020161 k( 207) = ( 0.0843750 0.0843750 0.1687500), wk = 0.0020161 k( 208) = ( 0.0796875 0.0796875 0.1593750), wk = 0.0020161 k( 209) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0020161 k( 210) = ( 0.0703125 0.0703125 0.1406250), wk = 0.0020161 k( 211) = ( 0.0656250 0.0656250 0.1312500), wk = 0.0020161 k( 212) = ( 0.0609375 0.0609375 0.1218750), wk = 0.0020161 k( 213) = ( 0.0562500 0.0562500 0.1125000), wk = 0.0020161 k( 214) = ( 0.0515625 0.0515625 0.1031250), wk = 0.0020161 k( 215) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0020161 k( 216) = ( 0.0421875 0.0421875 0.0843750), wk = 0.0020161 k( 217) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0020161 k( 218) = ( 0.0328125 0.0328125 0.0656250), wk = 0.0020161 k( 219) = ( 0.0281250 0.0281250 0.0562500), wk = 0.0020161 k( 220) = ( 0.0234375 0.0234375 0.0468750), wk = 0.0020161 k( 221) = ( 0.0187500 0.0187500 0.0375000), wk = 0.0020161 k( 222) = ( 0.0140625 0.0140625 0.0281250), wk = 0.0020161 k( 223) = ( 0.0093750 0.0093750 0.0187500), wk = 0.0020161 k( 224) = ( 0.0046875 0.0046875 0.0093750), wk = 0.0020161 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020161 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020161 k( 227) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0020161 k( 228) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0020161 k( 229) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0020161 k( 230) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0020161 k( 231) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0020161 k( 232) = ( 0.0461539 0.0461539 0.0461539), wk = 0.0020161 k( 233) = ( 0.0538462 0.0538462 0.0538462), wk = 0.0020161 k( 234) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0020161 k( 235) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0020161 k( 236) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0020161 k( 237) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0020161 k( 238) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0020161 k( 239) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0020161 k( 240) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0020161 k( 241) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0020161 k( 242) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0020161 k( 243) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0020161 k( 244) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0020161 k( 245) = ( 0.1461539 0.1461539 0.1461539), wk = 0.0020161 k( 246) = ( 0.1538461 0.1538462 0.1538461), wk = 0.0020161 k( 247) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0020161 k( 248) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0020161 k( 249) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0020161 k( 250) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0020161 k( 251) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0020161 k( 252) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0020161 k( 253) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0020161 k( 254) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0020161 k( 255) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0020161 k( 256) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0020161 k( 257) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0020161 k( 258) = ( 0.2461539 0.2461539 0.2461539), wk = 0.0020161 k( 259) = ( 0.2538461 0.2538462 0.2538461), wk = 0.0020161 k( 260) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0020161 k( 261) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0020161 k( 262) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0020161 k( 263) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0020161 k( 264) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0020161 k( 265) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0020161 k( 266) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0020161 k( 267) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0020161 k( 268) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0020161 k( 269) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0020161 k( 270) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0020161 k( 271) = ( 0.3461538 0.3461539 0.3461539), wk = 0.0020161 k( 272) = ( 0.3538462 0.3538462 0.3538462), wk = 0.0020161 k( 273) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0020161 k( 274) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0020161 k( 275) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0020161 k( 276) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0020161 k( 277) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0020161 k( 278) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0020161 k( 279) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0020161 k( 280) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0020161 k( 281) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0020161 k( 282) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0020161 k( 283) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0020161 k( 284) = ( 0.4461539 0.4461539 0.4461539), wk = 0.0020161 k( 285) = ( 0.4538462 0.4538462 0.4538462), wk = 0.0020161 k( 286) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0020161 k( 287) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0020161 k( 288) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0020161 k( 289) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0020161 k( 290) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0020161 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020161 k( 292) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020161 k( 293) = ( 0.5027174 0.4945652 0.5027174), wk = 0.0020161 k( 294) = ( 0.5054348 0.4891304 0.5054348), wk = 0.0020161 k( 295) = ( 0.5081522 0.4836957 0.5081522), wk = 0.0020161 k( 296) = ( 0.5108696 0.4782609 0.5108696), wk = 0.0020161 k( 297) = ( 0.5135870 0.4728261 0.5135870), wk = 0.0020161 k( 298) = ( 0.5163043 0.4673913 0.5163044), wk = 0.0020161 k( 299) = ( 0.5190217 0.4619565 0.5190217), wk = 0.0020161 k( 300) = ( 0.5217391 0.4565217 0.5217391), wk = 0.0020161 k( 301) = ( 0.5244565 0.4510870 0.5244565), wk = 0.0020161 k( 302) = ( 0.5271739 0.4456522 0.5271739), wk = 0.0020161 k( 303) = ( 0.5298913 0.4402174 0.5298913), wk = 0.0020161 k( 304) = ( 0.5326087 0.4347826 0.5326087), wk = 0.0020161 k( 305) = ( 0.5353261 0.4293478 0.5353261), wk = 0.0020161 k( 306) = ( 0.5380435 0.4239130 0.5380435), wk = 0.0020161 k( 307) = ( 0.5407609 0.4184783 0.5407609), wk = 0.0020161 k( 308) = ( 0.5434783 0.4130435 0.5434783), wk = 0.0020161 k( 309) = ( 0.5461957 0.4076087 0.5461957), wk = 0.0020161 k( 310) = ( 0.5489130 0.4021739 0.5489130), wk = 0.0020161 k( 311) = ( 0.5516304 0.3967391 0.5516304), wk = 0.0020161 k( 312) = ( 0.5543478 0.3913044 0.5543478), wk = 0.0020161 k( 313) = ( 0.5570652 0.3858696 0.5570652), wk = 0.0020161 k( 314) = ( 0.5597826 0.3804348 0.5597826), wk = 0.0020161 k( 315) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0020161 k( 316) = ( 0.5652174 0.3695652 0.5652174), wk = 0.0020161 k( 317) = ( 0.5679348 0.3641304 0.5679348), wk = 0.0020161 k( 318) = ( 0.5706522 0.3586956 0.5706522), wk = 0.0020161 k( 319) = ( 0.5733696 0.3532609 0.5733696), wk = 0.0020161 k( 320) = ( 0.5760870 0.3478261 0.5760870), wk = 0.0020161 k( 321) = ( 0.5788043 0.3423913 0.5788043), wk = 0.0020161 k( 322) = ( 0.5815217 0.3369565 0.5815217), wk = 0.0020161 k( 323) = ( 0.5842391 0.3315217 0.5842391), wk = 0.0020161 k( 324) = ( 0.5869565 0.3260870 0.5869565), wk = 0.0020161 k( 325) = ( 0.5896739 0.3206522 0.5896739), wk = 0.0020161 k( 326) = ( 0.5923913 0.3152174 0.5923913), wk = 0.0020161 k( 327) = ( 0.5951087 0.3097826 0.5951087), wk = 0.0020161 k( 328) = ( 0.5978261 0.3043478 0.5978261), wk = 0.0020161 k( 329) = ( 0.6005435 0.2989130 0.6005435), wk = 0.0020161 k( 330) = ( 0.6032609 0.2934783 0.6032609), wk = 0.0020161 k( 331) = ( 0.6059783 0.2880435 0.6059783), wk = 0.0020161 k( 332) = ( 0.6086957 0.2826087 0.6086957), wk = 0.0020161 k( 333) = ( 0.6114130 0.2771739 0.6114130), wk = 0.0020161 k( 334) = ( 0.6141304 0.2717391 0.6141304), wk = 0.0020161 k( 335) = ( 0.6168478 0.2663044 0.6168478), wk = 0.0020161 k( 336) = ( 0.6195652 0.2608696 0.6195652), wk = 0.0020161 k( 337) = ( 0.6222826 0.2554348 0.6222826), wk = 0.0020161 k( 338) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020161 k( 339) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020161 k( 340) = ( 0.6203704 0.2500000 0.6296296), wk = 0.0020161 k( 341) = ( 0.6157407 0.2500000 0.6342593), wk = 0.0020161 k( 342) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0020161 k( 343) = ( 0.6064815 0.2500000 0.6435185), wk = 0.0020161 k( 344) = ( 0.6018518 0.2500000 0.6481482), wk = 0.0020161 k( 345) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0020161 k( 346) = ( 0.5925926 0.2500000 0.6574074), wk = 0.0020161 k( 347) = ( 0.5879630 0.2500000 0.6620370), wk = 0.0020161 k( 348) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0020161 k( 349) = ( 0.5787037 0.2500000 0.6712963), wk = 0.0020161 k( 350) = ( 0.5740741 0.2500000 0.6759259), wk = 0.0020161 k( 351) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0020161 k( 352) = ( 0.5648148 0.2500000 0.6851852), wk = 0.0020161 k( 353) = ( 0.5601852 0.2500000 0.6898148), wk = 0.0020161 k( 354) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0020161 k( 355) = ( 0.5509259 0.2500000 0.6990741), wk = 0.0020161 k( 356) = ( 0.5462963 0.2500000 0.7037037), wk = 0.0020161 k( 357) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0020161 k( 358) = ( 0.5370370 0.2500000 0.7129630), wk = 0.0020161 k( 359) = ( 0.5324074 0.2500000 0.7175926), wk = 0.0020161 k( 360) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0020161 k( 361) = ( 0.5231482 0.2500000 0.7268518), wk = 0.0020161 k( 362) = ( 0.5185185 0.2500000 0.7314815), wk = 0.0020161 k( 363) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0020161 k( 364) = ( 0.5092593 0.2500000 0.7407407), wk = 0.0020161 k( 365) = ( 0.5046296 0.2500000 0.7453704), wk = 0.0020161 k( 366) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020161 k( 367) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020161 k( 368) = ( 0.5000000 0.2546296 0.7453704), wk = 0.0020161 k( 369) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0020161 k( 370) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0020161 k( 371) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0020161 k( 372) = ( 0.5000000 0.2731481 0.7268519), wk = 0.0020161 k( 373) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0020161 k( 374) = ( 0.5000000 0.2824074 0.7175926), wk = 0.0020161 k( 375) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0020161 k( 376) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0020161 k( 377) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0020161 k( 378) = ( 0.5000000 0.3009259 0.6990741), wk = 0.0020161 k( 379) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0020161 k( 380) = ( 0.5000000 0.3101852 0.6898148), wk = 0.0020161 k( 381) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0020161 k( 382) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0020161 k( 383) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0020161 k( 384) = ( 0.5000000 0.3287037 0.6712963), wk = 0.0020161 k( 385) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0020161 k( 386) = ( 0.5000000 0.3379630 0.6620370), wk = 0.0020161 k( 387) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0020161 k( 388) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0020161 k( 389) = ( 0.5000000 0.3518519 0.6481482), wk = 0.0020161 k( 390) = ( 0.5000000 0.3564815 0.6435185), wk = 0.0020161 k( 391) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0020161 k( 392) = ( 0.5000000 0.3657407 0.6342593), wk = 0.0020161 k( 393) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0020161 k( 394) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0020161 k( 395) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0020161 k( 396) = ( 0.5000000 0.3842593 0.6157407), wk = 0.0020161 k( 397) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0020161 k( 398) = ( 0.5000000 0.3935185 0.6064815), wk = 0.0020161 k( 399) = ( 0.5000000 0.3981482 0.6018518), wk = 0.0020161 k( 400) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0020161 k( 401) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0020161 k( 402) = ( 0.5000000 0.4120370 0.5879630), wk = 0.0020161 k( 403) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0020161 k( 404) = ( 0.5000000 0.4212963 0.5787037), wk = 0.0020161 k( 405) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0020161 k( 406) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0020161 k( 407) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0020161 k( 408) = ( 0.5000000 0.4398148 0.5601852), wk = 0.0020161 k( 409) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0020161 k( 410) = ( 0.5000000 0.4490741 0.5509259), wk = 0.0020161 k( 411) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0020161 k( 412) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0020161 k( 413) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0020161 k( 414) = ( 0.5000000 0.4675926 0.5324074), wk = 0.0020161 k( 415) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0020161 k( 416) = ( 0.5000000 0.4768519 0.5231482), wk = 0.0020161 k( 417) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0020161 k( 418) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0020161 k( 419) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0020161 k( 420) = ( 0.5000000 0.4953704 0.5046296), wk = 0.0020161 k( 421) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020161 k( 422) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020161 k( 423) = ( 0.4972826 0.4972826 0.5054348), wk = 0.0020161 k( 424) = ( 0.4945652 0.4945652 0.5108696), wk = 0.0020161 k( 425) = ( 0.4918478 0.4918478 0.5163044), wk = 0.0020161 k( 426) = ( 0.4891304 0.4891304 0.5217391), wk = 0.0020161 k( 427) = ( 0.4864130 0.4864130 0.5271739), wk = 0.0020161 k( 428) = ( 0.4836956 0.4836956 0.5326087), wk = 0.0020161 k( 429) = ( 0.4809783 0.4809783 0.5380435), wk = 0.0020161 k( 430) = ( 0.4782609 0.4782609 0.5434783), wk = 0.0020161 k( 431) = ( 0.4755435 0.4755435 0.5489130), wk = 0.0020161 k( 432) = ( 0.4728261 0.4728261 0.5543478), wk = 0.0020161 k( 433) = ( 0.4701087 0.4701087 0.5597826), wk = 0.0020161 k( 434) = ( 0.4673913 0.4673913 0.5652174), wk = 0.0020161 k( 435) = ( 0.4646739 0.4646739 0.5706522), wk = 0.0020161 k( 436) = ( 0.4619565 0.4619565 0.5760870), wk = 0.0020161 k( 437) = ( 0.4592391 0.4592391 0.5815217), wk = 0.0020161 k( 438) = ( 0.4565217 0.4565217 0.5869565), wk = 0.0020161 k( 439) = ( 0.4538044 0.4538044 0.5923913), wk = 0.0020161 k( 440) = ( 0.4510870 0.4510870 0.5978261), wk = 0.0020161 k( 441) = ( 0.4483696 0.4483696 0.6032609), wk = 0.0020161 k( 442) = ( 0.4456522 0.4456522 0.6086957), wk = 0.0020161 k( 443) = ( 0.4429348 0.4429348 0.6141304), wk = 0.0020161 k( 444) = ( 0.4402174 0.4402174 0.6195652), wk = 0.0020161 k( 445) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0020161 k( 446) = ( 0.4347826 0.4347826 0.6304348), wk = 0.0020161 k( 447) = ( 0.4320652 0.4320652 0.6358696), wk = 0.0020161 k( 448) = ( 0.4293478 0.4293478 0.6413044), wk = 0.0020161 k( 449) = ( 0.4266304 0.4266304 0.6467391), wk = 0.0020161 k( 450) = ( 0.4239130 0.4239130 0.6521739), wk = 0.0020161 k( 451) = ( 0.4211956 0.4211957 0.6576087), wk = 0.0020161 k( 452) = ( 0.4184783 0.4184783 0.6630435), wk = 0.0020161 k( 453) = ( 0.4157609 0.4157609 0.6684783), wk = 0.0020161 k( 454) = ( 0.4130435 0.4130435 0.6739130), wk = 0.0020161 k( 455) = ( 0.4103261 0.4103261 0.6793478), wk = 0.0020161 k( 456) = ( 0.4076087 0.4076087 0.6847826), wk = 0.0020161 k( 457) = ( 0.4048913 0.4048913 0.6902174), wk = 0.0020161 k( 458) = ( 0.4021739 0.4021739 0.6956522), wk = 0.0020161 k( 459) = ( 0.3994565 0.3994565 0.7010870), wk = 0.0020161 k( 460) = ( 0.3967391 0.3967391 0.7065217), wk = 0.0020161 k( 461) = ( 0.3940217 0.3940217 0.7119565), wk = 0.0020161 k( 462) = ( 0.3913044 0.3913044 0.7173913), wk = 0.0020161 k( 463) = ( 0.3885870 0.3885870 0.7228261), wk = 0.0020161 k( 464) = ( 0.3858696 0.3858696 0.7282609), wk = 0.0020161 k( 465) = ( 0.3831522 0.3831522 0.7336957), wk = 0.0020161 k( 466) = ( 0.3804348 0.3804348 0.7391304), wk = 0.0020161 k( 467) = ( 0.3777174 0.3777174 0.7445652), wk = 0.0020161 k( 468) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020161 k( 469) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020161 k( 470) = ( 0.6203704 0.2407407 0.6203704), wk = 0.0020161 k( 471) = ( 0.6157407 0.2314815 0.6157407), wk = 0.0020161 k( 472) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0020161 k( 473) = ( 0.6064815 0.2129630 0.6064815), wk = 0.0020161 k( 474) = ( 0.6018518 0.2037037 0.6018518), wk = 0.0020161 k( 475) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0020161 k( 476) = ( 0.5925926 0.1851852 0.5925926), wk = 0.0020161 k( 477) = ( 0.5879630 0.1759259 0.5879630), wk = 0.0020161 k( 478) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0020161 k( 479) = ( 0.5787037 0.1574074 0.5787037), wk = 0.0020161 k( 480) = ( 0.5740741 0.1481482 0.5740741), wk = 0.0020161 k( 481) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0020161 k( 482) = ( 0.5648148 0.1296296 0.5648148), wk = 0.0020161 k( 483) = ( 0.5601852 0.1203704 0.5601852), wk = 0.0020161 k( 484) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0020161 k( 485) = ( 0.5509259 0.1018519 0.5509259), wk = 0.0020161 k( 486) = ( 0.5462963 0.0925926 0.5462963), wk = 0.0020161 k( 487) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0020161 k( 488) = ( 0.5370370 0.0740741 0.5370370), wk = 0.0020161 k( 489) = ( 0.5324074 0.0648148 0.5324074), wk = 0.0020161 k( 490) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0020161 k( 491) = ( 0.5231482 0.0462963 0.5231482), wk = 0.0020161 k( 492) = ( 0.5185185 0.0370370 0.5185185), wk = 0.0020161 k( 493) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0020161 k( 494) = ( 0.5092593 0.0185185 0.5092593), wk = 0.0020161 k( 495) = ( 0.5046296 0.0092593 0.5046296), wk = 0.0020161 k( 496) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020161 Dense grid: 12051 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5329 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 42, 24) NL pseudopotentials 0.02 Mb ( 21, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 336) G-vector shells 0.00 Mb ( 131) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 42, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 48, 2, 24) The potential is recalculated from file : ./NiO.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.8 secs Computing kpt #: 13 total cpu time spent up to now is 4.0 secs Computing kpt #: 14 total cpu time spent up to now is 4.1 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.4 secs Computing kpt #: 17 total cpu time spent up to now is 4.5 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.8 secs Computing kpt #: 20 total cpu time spent up to now is 4.9 secs Computing kpt #: 21 total cpu time spent up to now is 5.0 secs Computing kpt #: 22 total cpu time spent up to now is 5.1 secs Computing kpt #: 23 total cpu time spent up to now is 5.2 secs Computing kpt #: 24 total cpu time spent up to now is 5.3 secs Computing kpt #: 25 total cpu time spent up to now is 5.4 secs Computing kpt #: 26 total cpu time spent up to now is 5.5 secs Computing kpt #: 27 total cpu time spent up to now is 5.6 secs Computing kpt #: 28 total cpu time spent up to now is 5.7 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 5.8 secs Computing kpt #: 31 total cpu time spent up to now is 5.9 secs Computing kpt #: 32 total cpu time spent up to now is 6.0 secs Computing kpt #: 33 total cpu time spent up to now is 6.0 secs Computing kpt #: 34 total cpu time spent up to now is 6.1 secs Computing kpt #: 35 total cpu time spent up to now is 6.2 secs Computing kpt #: 36 total cpu time spent up to now is 6.2 secs Computing kpt #: 37 total cpu time spent up to now is 6.3 secs Computing kpt #: 38 total cpu time spent up to now is 6.4 secs Computing kpt #: 39 total cpu time spent up to now is 6.5 secs Computing kpt #: 40 total cpu time spent up to now is 6.5 secs Computing kpt #: 41 total cpu time spent up to now is 6.6 secs Computing kpt #: 42 total cpu time spent up to now is 6.7 secs Computing kpt #: 43 total cpu time spent up to now is 6.8 secs Computing kpt #: 44 total cpu time spent up to now is 6.8 secs Computing kpt #: 45 total cpu time spent up to now is 6.9 secs Computing kpt #: 46 total cpu time spent up to now is 7.0 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 8.2 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 8.5 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 8.7 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 8.9 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 9.0 secs Computing kpt #: 70 total cpu time spent up to now is 9.1 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 9.2 secs Computing kpt #: 73 total cpu time spent up to now is 9.3 secs Computing kpt #: 74 total cpu time spent up to now is 9.3 secs Computing kpt #: 75 total cpu time spent up to now is 9.4 secs Computing kpt #: 76 total cpu time spent up to now is 9.5 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 9.6 secs Computing kpt #: 79 total cpu time spent up to now is 9.7 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 9.8 secs Computing kpt #: 82 total cpu time spent up to now is 9.9 secs Computing kpt #: 83 total cpu time spent up to now is 9.9 secs Computing kpt #: 84 total cpu time spent up to now is 10.0 secs Computing kpt #: 85 total cpu time spent up to now is 10.1 secs Computing kpt #: 86 total cpu time spent up to now is 10.1 secs Computing kpt #: 87 total cpu time spent up to now is 10.2 secs Computing kpt #: 88 total cpu time spent up to now is 10.3 secs Computing kpt #: 89 total cpu time spent up to now is 10.4 secs Computing kpt #: 90 total cpu time spent up to now is 10.4 secs Computing kpt #: 91 total cpu time spent up to now is 10.5 secs Computing kpt #: 92 total cpu time spent up to now is 10.5 secs Computing kpt #: 93 total cpu time spent up to now is 10.6 secs Computing kpt #: 94 total cpu time spent up to now is 10.7 secs Computing kpt #: 95 total cpu time spent up to now is 10.7 secs Computing kpt #: 96 total cpu time spent up to now is 10.8 secs Computing kpt #: 97 total cpu time spent up to now is 10.9 secs Computing kpt #: 98 total cpu time spent up to now is 10.9 secs Computing kpt #: 99 total cpu time spent up to now is 11.0 secs Computing kpt #: 100 total cpu time spent up to now is 11.1 secs Computing kpt #: 101 total cpu time spent up to now is 11.1 secs Computing kpt #: 102 total cpu time spent up to now is 11.2 secs Computing kpt #: 103 total cpu time spent up to now is 11.2 secs Computing kpt #: 104 total cpu time spent up to now is 11.3 secs Computing kpt #: 105 total cpu time spent up to now is 11.4 secs Computing kpt #: 106 total cpu time spent up to now is 11.4 secs Computing kpt #: 107 total cpu time spent up to now is 11.5 secs Computing kpt #: 108 total cpu time spent up to now is 11.5 secs Computing kpt #: 109 total cpu time spent up to now is 11.6 secs Computing kpt #: 110 total cpu time spent up to now is 11.7 secs Computing kpt #: 111 total cpu time spent up to now is 11.7 secs Computing kpt #: 112 total cpu time spent up to now is 11.8 secs Computing kpt #: 113 total cpu time spent up to now is 11.9 secs Computing kpt #: 114 total cpu time spent up to now is 11.9 secs Computing kpt #: 115 total cpu time spent up to now is 12.0 secs Computing kpt #: 116 total cpu time spent up to now is 12.1 secs Computing kpt #: 117 total cpu time spent up to now is 12.1 secs Computing kpt #: 118 total cpu time spent up to now is 12.2 secs Computing kpt #: 119 total cpu time spent up to now is 12.2 secs Computing kpt #: 120 total cpu time spent up to now is 12.3 secs Computing kpt #: 121 total cpu time spent up to now is 12.4 secs Computing kpt #: 122 total cpu time spent up to now is 12.4 secs Computing kpt #: 123 total cpu time spent up to now is 12.5 secs Computing kpt #: 124 total cpu time spent up to now is 12.6 secs Computing kpt #: 125 total cpu time spent up to now is 12.6 secs Computing kpt #: 126 total cpu time spent up to now is 12.7 secs Computing kpt #: 127 total cpu time spent up to now is 12.8 secs Computing kpt #: 128 total cpu time spent up to now is 12.8 secs Computing kpt #: 129 total cpu time spent up to now is 12.9 secs Computing kpt #: 130 total cpu time spent up to now is 13.0 secs Computing kpt #: 131 total cpu time spent up to now is 13.0 secs Computing kpt #: 132 total cpu time spent up to now is 13.1 secs Computing kpt #: 133 total cpu time spent up to now is 13.2 secs Computing kpt #: 134 total cpu time spent up to now is 13.2 secs Computing kpt #: 135 total cpu time spent up to now is 13.3 secs Computing kpt #: 136 total cpu time spent up to now is 13.3 secs Computing kpt #: 137 total cpu time spent up to now is 13.4 secs Computing kpt #: 138 total cpu time spent up to now is 13.5 secs Computing kpt #: 139 total cpu time spent up to now is 13.5 secs Computing kpt #: 140 total cpu time spent up to now is 13.6 secs Computing kpt #: 141 total cpu time spent up to now is 13.7 secs Computing kpt #: 142 total cpu time spent up to now is 13.7 secs Computing kpt #: 143 total cpu time spent up to now is 13.8 secs Computing kpt #: 144 total cpu time spent up to now is 13.9 secs Computing kpt #: 145 total cpu time spent up to now is 13.9 secs Computing kpt #: 146 total cpu time spent up to now is 14.0 secs Computing kpt #: 147 total cpu time spent up to now is 14.0 secs Computing kpt #: 148 total cpu time spent up to now is 14.1 secs Computing kpt #: 149 total cpu time spent up to now is 14.2 secs Computing kpt #: 150 total cpu time spent up to now is 14.2 secs Computing kpt #: 151 total cpu time spent up to now is 14.3 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 14.4 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 14.8 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 15.1 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 15.3 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 15.4 secs Computing kpt #: 169 total cpu time spent up to now is 15.5 secs Computing kpt #: 170 total cpu time spent up to now is 15.5 secs Computing kpt #: 171 total cpu time spent up to now is 15.6 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 15.7 secs Computing kpt #: 174 total cpu time spent up to now is 15.8 secs Computing kpt #: 175 total cpu time spent up to now is 15.8 secs Computing kpt #: 176 total cpu time spent up to now is 15.9 secs Computing kpt #: 177 total cpu time spent up to now is 16.0 secs Computing kpt #: 178 total cpu time spent up to now is 16.0 secs Computing kpt #: 179 total cpu time spent up to now is 16.1 secs Computing kpt #: 180 total cpu time spent up to now is 16.2 secs Computing kpt #: 181 total cpu time spent up to now is 16.2 secs Computing kpt #: 182 total cpu time spent up to now is 16.3 secs Computing kpt #: 183 total cpu time spent up to now is 16.3 secs Computing kpt #: 184 total cpu time spent up to now is 16.4 secs Computing kpt #: 185 total cpu time spent up to now is 16.5 secs Computing kpt #: 186 total cpu time spent up to now is 16.5 secs Computing kpt #: 187 total cpu time spent up to now is 16.6 secs Computing kpt #: 188 total cpu time spent up to now is 16.7 secs Computing kpt #: 189 total cpu time spent up to now is 16.7 secs Computing kpt #: 190 total cpu time spent up to now is 16.8 secs Computing kpt #: 191 total cpu time spent up to now is 16.9 secs Computing kpt #: 192 total cpu time spent up to now is 16.9 secs Computing kpt #: 193 total cpu time spent up to now is 17.0 secs Computing kpt #: 194 total cpu time spent up to now is 17.1 secs Computing kpt #: 195 total cpu time spent up to now is 17.2 secs Computing kpt #: 196 total cpu time spent up to now is 17.3 secs Computing kpt #: 197 total cpu time spent up to now is 17.3 secs Computing kpt #: 198 total cpu time spent up to now is 17.4 secs Computing kpt #: 199 total cpu time spent up to now is 17.5 secs Computing kpt #: 200 total cpu time spent up to now is 17.5 secs Computing kpt #: 201 total cpu time spent up to now is 17.6 secs Computing kpt #: 202 total cpu time spent up to now is 17.7 secs Computing kpt #: 203 total cpu time spent up to now is 17.7 secs Computing kpt #: 204 total cpu time spent up to now is 17.8 secs Computing kpt #: 205 total cpu time spent up to now is 17.9 secs Computing kpt #: 206 total cpu time spent up to now is 17.9 secs Computing kpt #: 207 total cpu time spent up to now is 18.0 secs Computing kpt #: 208 total cpu time spent up to now is 18.1 secs Computing kpt #: 209 total cpu time spent up to now is 18.2 secs Computing kpt #: 210 total cpu time spent up to now is 18.2 secs Computing kpt #: 211 total cpu time spent up to now is 18.3 secs Computing kpt #: 212 total cpu time spent up to now is 18.4 secs Computing kpt #: 213 total cpu time spent up to now is 18.5 secs Computing kpt #: 214 total cpu time spent up to now is 18.6 secs Computing kpt #: 215 total cpu time spent up to now is 18.7 secs Computing kpt #: 216 total cpu time spent up to now is 18.8 secs Computing kpt #: 217 total cpu time spent up to now is 18.9 secs Computing kpt #: 218 total cpu time spent up to now is 19.0 secs Computing kpt #: 219 total cpu time spent up to now is 19.2 secs Computing kpt #: 220 total cpu time spent up to now is 19.3 secs Computing kpt #: 221 total cpu time spent up to now is 19.4 secs Computing kpt #: 222 total cpu time spent up to now is 19.6 secs Computing kpt #: 223 total cpu time spent up to now is 19.9 secs Computing kpt #: 224 total cpu time spent up to now is 20.1 secs Computing kpt #: 225 total cpu time spent up to now is 20.2 secs Computing kpt #: 226 total cpu time spent up to now is 20.3 secs Computing kpt #: 227 total cpu time spent up to now is 20.5 secs Computing kpt #: 228 total cpu time spent up to now is 20.7 secs Computing kpt #: 229 total cpu time spent up to now is 20.9 secs Computing kpt #: 230 total cpu time spent up to now is 21.1 secs Computing kpt #: 231 total cpu time spent up to now is 21.3 secs Computing kpt #: 232 total cpu time spent up to now is 21.5 secs Computing kpt #: 233 total cpu time spent up to now is 21.7 secs Computing kpt #: 234 total cpu time spent up to now is 22.1 secs Computing kpt #: 235 total cpu time spent up to now is 22.2 secs Computing kpt #: 236 total cpu time spent up to now is 22.3 secs Computing kpt #: 237 total cpu time spent up to now is 22.4 secs Computing kpt #: 238 total cpu time spent up to now is 22.6 secs Computing kpt #: 239 total cpu time spent up to now is 22.7 secs Computing kpt #: 240 total cpu time spent up to now is 22.8 secs Computing kpt #: 241 total cpu time spent up to now is 22.9 secs Computing kpt #: 242 total cpu time spent up to now is 23.1 secs Computing kpt #: 243 total cpu time spent up to now is 23.2 secs Computing kpt #: 244 total cpu time spent up to now is 23.3 secs Computing kpt #: 245 total cpu time spent up to now is 23.5 secs Computing kpt #: 246 total cpu time spent up to now is 23.7 secs Computing kpt #: 247 total cpu time spent up to now is 23.8 secs Computing kpt #: 248 total cpu time spent up to now is 23.9 secs Computing kpt #: 249 total cpu time spent up to now is 24.0 secs Computing kpt #: 250 total cpu time spent up to now is 24.2 secs Computing kpt #: 251 total cpu time spent up to now is 24.3 secs Computing kpt #: 252 total cpu time spent up to now is 24.4 secs Computing kpt #: 253 total cpu time spent up to now is 24.5 secs Computing kpt #: 254 total cpu time spent up to now is 24.7 secs Computing kpt #: 255 total cpu time spent up to now is 24.8 secs Computing kpt #: 256 total cpu time spent up to now is 24.9 secs Computing kpt #: 257 total cpu time spent up to now is 25.0 secs Computing kpt #: 258 total cpu time spent up to now is 25.1 secs Computing kpt #: 259 total cpu time spent up to now is 25.2 secs Computing kpt #: 260 total cpu time spent up to now is 25.3 secs Computing kpt #: 261 total cpu time spent up to now is 25.4 secs Computing kpt #: 262 total cpu time spent up to now is 25.5 secs Computing kpt #: 263 total cpu time spent up to now is 25.6 secs Computing kpt #: 264 total cpu time spent up to now is 25.7 secs Computing kpt #: 265 total cpu time spent up to now is 25.8 secs Computing kpt #: 266 total cpu time spent up to now is 25.9 secs Computing kpt #: 267 total cpu time spent up to now is 26.0 secs Computing kpt #: 268 total cpu time spent up to now is 26.1 secs Computing kpt #: 269 total cpu time spent up to now is 26.2 secs Computing kpt #: 270 total cpu time spent up to now is 26.2 secs Computing kpt #: 271 total cpu time spent up to now is 26.3 secs Computing kpt #: 272 total cpu time spent up to now is 26.4 secs Computing kpt #: 273 total cpu time spent up to now is 26.5 secs Computing kpt #: 274 total cpu time spent up to now is 26.6 secs Computing kpt #: 275 total cpu time spent up to now is 26.7 secs Computing kpt #: 276 total cpu time spent up to now is 26.8 secs Computing kpt #: 277 total cpu time spent up to now is 26.9 secs Computing kpt #: 278 total cpu time spent up to now is 27.0 secs Computing kpt #: 279 total cpu time spent up to now is 27.1 secs Computing kpt #: 280 total cpu time spent up to now is 27.1 secs Computing kpt #: 281 total cpu time spent up to now is 27.2 secs Computing kpt #: 282 total cpu time spent up to now is 27.3 secs Computing kpt #: 283 total cpu time spent up to now is 27.3 secs Computing kpt #: 284 total cpu time spent up to now is 27.4 secs Computing kpt #: 285 total cpu time spent up to now is 27.5 secs Computing kpt #: 286 total cpu time spent up to now is 27.6 secs Computing kpt #: 287 total cpu time spent up to now is 27.6 secs Computing kpt #: 288 total cpu time spent up to now is 27.7 secs Computing kpt #: 289 total cpu time spent up to now is 27.8 secs Computing kpt #: 290 total cpu time spent up to now is 27.9 secs Computing kpt #: 291 total cpu time spent up to now is 27.9 secs Computing kpt #: 292 total cpu time spent up to now is 28.0 secs Computing kpt #: 293 total cpu time spent up to now is 28.1 secs Computing kpt #: 294 total cpu time spent up to now is 28.2 secs Computing kpt #: 295 total cpu time spent up to now is 28.2 secs Computing kpt #: 296 total cpu time spent up to now is 28.3 secs Computing kpt #: 297 total cpu time spent up to now is 28.4 secs Computing kpt #: 298 total cpu time spent up to now is 28.5 secs Computing kpt #: 299 total cpu time spent up to now is 28.5 secs Computing kpt #: 300 total cpu time spent up to now is 28.6 secs Computing kpt #: 301 total cpu time spent up to now is 28.7 secs Computing kpt #: 302 total cpu time spent up to now is 28.7 secs Computing kpt #: 303 total cpu time spent up to now is 28.8 secs Computing kpt #: 304 total cpu time spent up to now is 28.9 secs Computing kpt #: 305 total cpu time spent up to now is 28.9 secs Computing kpt #: 306 total cpu time spent up to now is 29.0 secs Computing kpt #: 307 total cpu time spent up to now is 29.1 secs Computing kpt #: 308 total cpu time spent up to now is 29.2 secs Computing kpt #: 309 total cpu time spent up to now is 29.2 secs Computing kpt #: 310 total cpu time spent up to now is 29.3 secs Computing kpt #: 311 total cpu time spent up to now is 29.4 secs Computing kpt #: 312 total cpu time spent up to now is 29.4 secs Computing kpt #: 313 total cpu time spent up to now is 29.5 secs Computing kpt #: 314 total cpu time spent up to now is 29.6 secs Computing kpt #: 315 total cpu time spent up to now is 29.6 secs Computing kpt #: 316 total cpu time spent up to now is 29.7 secs Computing kpt #: 317 total cpu time spent up to now is 29.8 secs Computing kpt #: 318 total cpu time spent up to now is 29.8 secs Computing kpt #: 319 total cpu time spent up to now is 29.9 secs Computing kpt #: 320 total cpu time spent up to now is 29.9 secs Computing kpt #: 321 total cpu time spent up to now is 30.0 secs Computing kpt #: 322 total cpu time spent up to now is 30.1 secs Computing kpt #: 323 total cpu time spent up to now is 30.1 secs Computing kpt #: 324 total cpu time spent up to now is 30.2 secs Computing kpt #: 325 total cpu time spent up to now is 30.3 secs Computing kpt #: 326 total cpu time spent up to now is 30.3 secs Computing kpt #: 327 total cpu time spent up to now is 30.4 secs Computing kpt #: 328 total cpu time spent up to now is 30.5 secs Computing kpt #: 329 total cpu time spent up to now is 30.5 secs Computing kpt #: 330 total cpu time spent up to now is 30.6 secs Computing kpt #: 331 total cpu time spent up to now is 30.6 secs Computing kpt #: 332 total cpu time spent up to now is 30.7 secs Computing kpt #: 333 total cpu time spent up to now is 30.8 secs Computing kpt #: 334 total cpu time spent up to now is 30.8 secs Computing kpt #: 335 total cpu time spent up to now is 30.9 secs Computing kpt #: 336 total cpu time spent up to now is 31.0 secs Computing kpt #: 337 total cpu time spent up to now is 31.0 secs Computing kpt #: 338 total cpu time spent up to now is 31.1 secs Computing kpt #: 339 total cpu time spent up to now is 31.2 secs Computing kpt #: 340 total cpu time spent up to now is 31.2 secs Computing kpt #: 341 total cpu time spent up to now is 31.3 secs Computing kpt #: 342 total cpu time spent up to now is 31.3 secs Computing kpt #: 343 total cpu time spent up to now is 31.4 secs Computing kpt #: 344 total cpu time spent up to now is 31.5 secs Computing kpt #: 345 total cpu time spent up to now is 31.5 secs Computing kpt #: 346 total cpu time spent up to now is 31.6 secs Computing kpt #: 347 total cpu time spent up to now is 31.7 secs Computing kpt #: 348 total cpu time spent up to now is 31.7 secs Computing kpt #: 349 total cpu time spent up to now is 31.8 secs Computing kpt #: 350 total cpu time spent up to now is 31.8 secs Computing kpt #: 351 total cpu time spent up to now is 31.9 secs Computing kpt #: 352 total cpu time spent up to now is 32.0 secs Computing kpt #: 353 total cpu time spent up to now is 32.0 secs Computing kpt #: 354 total cpu time spent up to now is 32.1 secs Computing kpt #: 355 total cpu time spent up to now is 32.3 secs Computing kpt #: 356 total cpu time spent up to now is 32.3 secs Computing kpt #: 357 total cpu time spent up to now is 32.4 secs Computing kpt #: 358 total cpu time spent up to now is 32.5 secs Computing kpt #: 359 total cpu time spent up to now is 32.5 secs Computing kpt #: 360 total cpu time spent up to now is 32.6 secs Computing kpt #: 361 total cpu time spent up to now is 32.7 secs Computing kpt #: 362 total cpu time spent up to now is 32.7 secs Computing kpt #: 363 total cpu time spent up to now is 32.8 secs Computing kpt #: 364 total cpu time spent up to now is 32.9 secs Computing kpt #: 365 total cpu time spent up to now is 32.9 secs Computing kpt #: 366 total cpu time spent up to now is 33.0 secs Computing kpt #: 367 total cpu time spent up to now is 33.0 secs Computing kpt #: 368 total cpu time spent up to now is 33.1 secs Computing kpt #: 369 total cpu time spent up to now is 33.2 secs Computing kpt #: 370 total cpu time spent up to now is 33.2 secs Computing kpt #: 371 total cpu time spent up to now is 33.3 secs Computing kpt #: 372 total cpu time spent up to now is 33.4 secs Computing kpt #: 373 total cpu time spent up to now is 33.4 secs Computing kpt #: 374 total cpu time spent up to now is 33.5 secs Computing kpt #: 375 total cpu time spent up to now is 33.6 secs Computing kpt #: 376 total cpu time spent up to now is 33.6 secs Computing kpt #: 377 total cpu time spent up to now is 33.7 secs Computing kpt #: 378 total cpu time spent up to now is 33.8 secs Computing kpt #: 379 total cpu time spent up to now is 33.8 secs Computing kpt #: 380 total cpu time spent up to now is 33.9 secs Computing kpt #: 381 total cpu time spent up to now is 34.0 secs Computing kpt #: 382 total cpu time spent up to now is 34.0 secs Computing kpt #: 383 total cpu time spent up to now is 34.1 secs Computing kpt #: 384 total cpu time spent up to now is 34.2 secs Computing kpt #: 385 total cpu time spent up to now is 34.2 secs Computing kpt #: 386 total cpu time spent up to now is 34.3 secs Computing kpt #: 387 total cpu time spent up to now is 34.4 secs Computing kpt #: 388 total cpu time spent up to now is 34.4 secs Computing kpt #: 389 total cpu time spent up to now is 34.5 secs Computing kpt #: 390 total cpu time spent up to now is 34.5 secs Computing kpt #: 391 total cpu time spent up to now is 34.6 secs Computing kpt #: 392 total cpu time spent up to now is 34.7 secs Computing kpt #: 393 total cpu time spent up to now is 34.7 secs Computing kpt #: 394 total cpu time spent up to now is 34.8 secs Computing kpt #: 395 total cpu time spent up to now is 34.9 secs Computing kpt #: 396 total cpu time spent up to now is 34.9 secs Computing kpt #: 397 total cpu time spent up to now is 35.0 secs Computing kpt #: 398 total cpu time spent up to now is 35.1 secs Computing kpt #: 399 total cpu time spent up to now is 35.1 secs Computing kpt #: 400 total cpu time spent up to now is 35.2 secs Computing kpt #: 401 total cpu time spent up to now is 35.3 secs Computing kpt #: 402 total cpu time spent up to now is 35.3 secs Computing kpt #: 403 total cpu time spent up to now is 35.4 secs Computing kpt #: 404 total cpu time spent up to now is 35.4 secs Computing kpt #: 405 total cpu time spent up to now is 35.5 secs Computing kpt #: 406 total cpu time spent up to now is 35.6 secs Computing kpt #: 407 total cpu time spent up to now is 35.6 secs Computing kpt #: 408 total cpu time spent up to now is 35.7 secs Computing kpt #: 409 total cpu time spent up to now is 35.8 secs Computing kpt #: 410 total cpu time spent up to now is 35.9 secs Computing kpt #: 411 total cpu time spent up to now is 35.9 secs Computing kpt #: 412 total cpu time spent up to now is 36.0 secs Computing kpt #: 413 total cpu time spent up to now is 36.1 secs Computing kpt #: 414 total cpu time spent up to now is 36.1 secs Computing kpt #: 415 total cpu time spent up to now is 36.2 secs Computing kpt #: 416 total cpu time spent up to now is 36.3 secs Computing kpt #: 417 total cpu time spent up to now is 36.4 secs Computing kpt #: 418 total cpu time spent up to now is 36.4 secs Computing kpt #: 419 total cpu time spent up to now is 36.5 secs Computing kpt #: 420 total cpu time spent up to now is 36.6 secs Computing kpt #: 421 total cpu time spent up to now is 36.7 secs Computing kpt #: 422 total cpu time spent up to now is 36.7 secs Computing kpt #: 423 total cpu time spent up to now is 36.8 secs Computing kpt #: 424 total cpu time spent up to now is 36.9 secs Computing kpt #: 425 total cpu time spent up to now is 37.0 secs Computing kpt #: 426 total cpu time spent up to now is 37.0 secs Computing kpt #: 427 total cpu time spent up to now is 37.1 secs Computing kpt #: 428 total cpu time spent up to now is 37.2 secs Computing kpt #: 429 total cpu time spent up to now is 37.3 secs Computing kpt #: 430 total cpu time spent up to now is 37.3 secs Computing kpt #: 431 total cpu time spent up to now is 37.4 secs Computing kpt #: 432 total cpu time spent up to now is 37.5 secs Computing kpt #: 433 total cpu time spent up to now is 37.5 secs Computing kpt #: 434 total cpu time spent up to now is 37.6 secs Computing kpt #: 435 total cpu time spent up to now is 37.7 secs Computing kpt #: 436 total cpu time spent up to now is 37.8 secs Computing kpt #: 437 total cpu time spent up to now is 37.8 secs Computing kpt #: 438 total cpu time spent up to now is 37.9 secs Computing kpt #: 439 total cpu time spent up to now is 38.0 secs Computing kpt #: 440 total cpu time spent up to now is 38.0 secs Computing kpt #: 441 total cpu time spent up to now is 38.1 secs Computing kpt #: 442 total cpu time spent up to now is 38.2 secs Computing kpt #: 443 total cpu time spent up to now is 38.2 secs Computing kpt #: 444 total cpu time spent up to now is 38.3 secs Computing kpt #: 445 total cpu time spent up to now is 38.4 secs Computing kpt #: 446 total cpu time spent up to now is 38.4 secs Computing kpt #: 447 total cpu time spent up to now is 38.5 secs Computing kpt #: 448 total cpu time spent up to now is 38.6 secs Computing kpt #: 449 total cpu time spent up to now is 38.6 secs Computing kpt #: 450 total cpu time spent up to now is 38.7 secs Computing kpt #: 451 total cpu time spent up to now is 38.7 secs Computing kpt #: 452 total cpu time spent up to now is 38.8 secs Computing kpt #: 453 total cpu time spent up to now is 38.9 secs Computing kpt #: 454 total cpu time spent up to now is 38.9 secs Computing kpt #: 455 total cpu time spent up to now is 39.0 secs Computing kpt #: 456 total cpu time spent up to now is 39.1 secs Computing kpt #: 457 total cpu time spent up to now is 39.1 secs Computing kpt #: 458 total cpu time spent up to now is 39.2 secs Computing kpt #: 459 total cpu time spent up to now is 39.3 secs Computing kpt #: 460 total cpu time spent up to now is 39.3 secs Computing kpt #: 461 total cpu time spent up to now is 39.4 secs Computing kpt #: 462 total cpu time spent up to now is 39.4 secs Computing kpt #: 463 total cpu time spent up to now is 39.5 secs Computing kpt #: 464 total cpu time spent up to now is 39.6 secs Computing kpt #: 465 total cpu time spent up to now is 39.6 secs Computing kpt #: 466 total cpu time spent up to now is 39.7 secs Computing kpt #: 467 total cpu time spent up to now is 39.8 secs Computing kpt #: 468 total cpu time spent up to now is 39.8 secs Computing kpt #: 469 total cpu time spent up to now is 39.9 secs Computing kpt #: 470 total cpu time spent up to now is 40.0 secs Computing kpt #: 471 total cpu time spent up to now is 40.0 secs Computing kpt #: 472 total cpu time spent up to now is 40.1 secs Computing kpt #: 473 total cpu time spent up to now is 40.2 secs Computing kpt #: 474 total cpu time spent up to now is 40.2 secs Computing kpt #: 475 total cpu time spent up to now is 40.3 secs Computing kpt #: 476 total cpu time spent up to now is 40.3 secs Computing kpt #: 477 total cpu time spent up to now is 40.4 secs Computing kpt #: 478 total cpu time spent up to now is 40.5 secs Computing kpt #: 479 total cpu time spent up to now is 40.5 secs Computing kpt #: 480 total cpu time spent up to now is 40.6 secs Computing kpt #: 481 total cpu time spent up to now is 40.7 secs Computing kpt #: 482 total cpu time spent up to now is 40.7 secs Computing kpt #: 483 total cpu time spent up to now is 40.8 secs Computing kpt #: 484 total cpu time spent up to now is 40.9 secs Computing kpt #: 485 total cpu time spent up to now is 40.9 secs Computing kpt #: 486 total cpu time spent up to now is 41.0 secs Computing kpt #: 487 total cpu time spent up to now is 41.1 secs Computing kpt #: 488 total cpu time spent up to now is 41.2 secs Computing kpt #: 489 total cpu time spent up to now is 41.2 secs Computing kpt #: 490 total cpu time spent up to now is 41.3 secs Computing kpt #: 491 total cpu time spent up to now is 41.4 secs Computing kpt #: 492 total cpu time spent up to now is 41.4 secs Computing kpt #: 493 total cpu time spent up to now is 41.5 secs Computing kpt #: 494 total cpu time spent up to now is 41.6 secs Computing kpt #: 495 total cpu time spent up to now is 41.7 secs Computing kpt #: 496 total cpu time spent up to now is 41.7 secs ethr = 6.25E-08, avg # of iterations = 14.2 total cpu time spent up to now is 41.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 645 PWs) bands (ev): -8.8443 -8.8443 8.4437 8.4437 8.4927 8.4927 8.4927 8.4927 9.6817 9.6817 9.6817 9.6817 9.8372 9.8372 10.1490 10.1490 10.1490 10.1490 13.1092 13.1092 29.4622 29.4622 30.5506 30.5506 k = 0.0066-0.0038 0.0054 ( 645 PWs) bands (ev): -8.8436 -8.8436 8.4394 8.4394 8.4859 8.4859 8.4908 8.4908 9.6822 9.6822 9.6843 9.6843 9.8384 9.8384 10.1492 10.1492 10.1550 10.1550 13.1136 13.1136 29.4341 29.4341 30.5433 30.5434 k = 0.0132-0.0076 0.0107 ( 645 PWs) bands (ev): -8.8417 -8.8417 8.4233 8.4233 8.4689 8.4689 8.4850 8.4850 9.6833 9.6833 9.6917 9.6917 9.8422 9.8422 10.1497 10.1497 10.1726 10.1726 13.1270 13.1270 29.3578 29.3578 30.5217 30.5217 k = 0.0197-0.0114 0.0161 ( 653 PWs) bands (ev): -8.8385 -8.8385 8.3885 8.3885 8.4502 8.4502 8.4754 8.4754 9.6848 9.6848 9.7035 9.7035 9.8484 9.8484 10.1505 10.1505 10.2002 10.2002 13.1492 13.1492 29.2492 29.2492 30.4866 30.4866 k = 0.0263-0.0152 0.0215 ( 665 PWs) bands (ev): -8.8340 -8.8340 8.3347 8.3347 8.4326 8.4326 8.4623 8.4623 9.6861 9.6861 9.7191 9.7191 9.8575 9.8575 10.1514 10.1514 10.2367 10.2367 13.1802 13.1802 29.1219 29.1219 30.4392 30.4392 k = 0.0329-0.0190 0.0269 ( 665 PWs) bands (ev): -8.8283 -8.8283 8.2665 8.2665 8.4141 8.4141 8.4460 8.4460 9.6871 9.6871 9.7387 9.7387 9.8700 9.8700 10.1530 10.1530 10.2798 10.2798 13.2199 13.2199 28.9843 28.9843 30.3812 30.3812 k = 0.0395-0.0228 0.0322 ( 665 PWs) bands (ev): -8.8213 -8.8213 8.1874 8.1874 8.3934 8.3934 8.4268 8.4268 9.6872 9.6872 9.7614 9.7614 9.8857 9.8857 10.1551 10.1551 10.3277 10.3277 13.2682 13.2682 28.8414 28.8414 30.3142 30.3142 k = 0.0461-0.0266 0.0376 ( 665 PWs) bands (ev): -8.8130 -8.8130 8.1000 8.1000 8.3706 8.3706 8.4048 8.4048 9.6861 9.6861 9.7868 9.7868 9.9045 9.9045 10.1575 10.1575 10.3785 10.3785 13.3249 13.3249 28.6963 28.6963 30.2396 30.2396 k = 0.0526-0.0304 0.0430 ( 665 PWs) bands (ev): -8.8035 -8.8035 8.0060 8.0060 8.3456 8.3456 8.3806 8.3806 9.6838 9.6838 9.8144 9.8144 9.9261 9.9261 10.1605 10.1605 10.4307 10.4307 13.3896 13.3896 28.5507 28.5507 30.1591 30.1591 k = 0.0592-0.0342 0.0483 ( 665 PWs) bands (ev): -8.7928 -8.7928 7.9070 7.9070 8.3188 8.3188 8.3545 8.3545 9.6801 9.6801 9.8440 9.8440 9.9501 9.9501 10.1640 10.1640 10.4834 10.4834 13.4623 13.4623 28.4055 28.4055 30.0740 30.0740 k = 0.0658-0.0380 0.0537 ( 673 PWs) bands (ev): -8.7809 -8.7809 7.8042 7.8042 8.2903 8.2903 8.3265 8.3265 9.6751 9.6751 9.8749 9.8749 9.9758 9.9758 10.1681 10.1681 10.5354 10.5354 13.5424 13.5424 28.2617 28.2617 29.9854 29.9854 k = 0.0724-0.0418 0.0591 ( 673 PWs) bands (ev): -8.7678 -8.7678 7.6986 7.6986 8.2605 8.2605 8.2972 8.2972 9.6690 9.6690 9.9075 9.9075 10.0032 10.0032 10.1732 10.1732 10.5862 10.5862 13.6296 13.6296 28.1195 28.1195 29.8944 29.8944 k = 0.0789-0.0456 0.0645 ( 669 PWs) bands (ev): -8.7536 -8.7536 7.5911 7.5911 8.2297 8.2297 8.2668 8.2668 9.6617 9.6617 9.9412 9.9412 10.0314 10.0314 10.1795 10.1795 10.6356 10.6356 13.7235 13.7235 27.9795 27.9795 29.8019 29.8019 k = 0.0855-0.0494 0.0698 ( 669 PWs) bands (ev): -8.7382 -8.7382 7.4822 7.4822 8.1980 8.1980 8.2355 8.2355 9.6535 9.6535 9.9757 9.9757 10.0594 10.0594 10.1875 10.1875 10.6828 10.6828 13.8236 13.8236 27.8417 27.8417 29.7085 29.7086 k = 0.0921-0.0532 0.0752 ( 669 PWs) bands (ev): -8.7218 -8.7218 7.3725 7.3725 8.1656 8.1656 8.2036 8.2036 9.6443 9.6443 10.0108 10.0108 10.0862 10.0862 10.1979 10.1979 10.7280 10.7280 13.9294 13.9294 27.7063 27.7063 29.6149 29.6150 k = 0.0987-0.0570 0.0806 ( 669 PWs) bands (ev): -8.7043 -8.7043 7.2624 7.2624 8.1329 8.1329 8.1711 8.1711 9.6341 9.6341 10.0463 10.0463 10.1105 10.1105 10.2119 10.2119 10.7710 10.7710 14.0404 14.0404 27.5735 27.5735 29.5215 29.5216 k = 0.1053-0.0608 0.0859 ( 665 PWs) bands (ev): -8.6857 -8.6857 7.1526 7.1526 8.0998 8.0998 8.1383 8.1383 9.6232 9.6232 10.0823 10.0823 10.1310 10.1310 10.2307 10.2307 10.8118 10.8118 14.1560 14.1560 27.4433 27.4433 29.4287 29.4287 k = 0.1118-0.0646 0.0913 ( 665 PWs) bands (ev): -8.6661 -8.6661 7.0431 7.0431 8.0665 8.0665 8.1053 8.1053 9.6114 9.6114 10.1181 10.1181 10.1471 10.1471 10.2542 10.2542 10.8505 10.8505 14.2758 14.2758 27.3158 27.3158 29.3365 29.3365 k = 0.1184-0.0684 0.0967 ( 665 PWs) bands (ev): -8.6456 -8.6456 6.9345 6.9345 8.0333 8.0333 8.0723 8.0723 9.5989 9.5989 10.1538 10.1538 10.1597 10.1597 10.2816 10.2816 10.8872 10.8872 14.3993 14.3993 27.1910 27.1910 29.2447 29.2447 k = 0.1250-0.0722 0.1021 ( 665 PWs) bands (ev): -8.6242 -8.6242 6.8269 6.8269 8.0002 8.0002 8.0394 8.0394 9.5856 9.5856 10.1700 10.1700 10.1892 10.1892 10.3114 10.3114 10.9219 10.9219 14.5259 14.5259 27.0689 27.0689 29.1523 29.1523 k = 0.1316-0.0760 0.1074 ( 665 PWs) bands (ev): -8.6018 -8.6018 6.7206 6.7206 7.9672 7.9672 8.0067 8.0067 9.5717 9.5717 10.1789 10.1789 10.2243 10.2243 10.3427 10.3427 10.9549 10.9549 14.6552 14.6552 26.9496 26.9496 29.0553 29.0553 k = 0.1382-0.0798 0.1128 ( 673 PWs) bands (ev): -8.5787 -8.5787 6.6158 6.6158 7.9345 7.9345 7.9742 7.9742 9.5567 9.5567 10.1869 10.1869 10.2589 10.2589 10.3747 10.3747 10.9859 10.9859 14.7866 14.7866 26.8330 26.8330 28.9362 28.9362 k = 0.1447-0.0836 0.1182 ( 673 PWs) bands (ev): -8.5547 -8.5547 6.5127 6.5127 7.9022 7.9022 7.9420 7.9420 9.5415 9.5415 10.1945 10.1945 10.2930 10.2930 10.4069 10.4069 11.0156 11.0156 14.9198 14.9198 26.7192 26.7192 28.7467 28.7467 k = 0.1513-0.0874 0.1235 ( 673 PWs) bands (ev): -8.5300 -8.5300 6.4115 6.4115 7.8704 7.8704 7.9104 7.9104 9.5258 9.5258 10.2019 10.2019 10.3263 10.3263 10.4390 10.4390 11.0437 11.0437 15.0544 15.0544 26.6081 26.6081 28.4976 28.4976 k = 0.1579-0.0912 0.1289 ( 673 PWs) bands (ev): -8.5045 -8.5045 6.3123 6.3123 7.8391 7.8391 7.8792 7.8792 9.5096 9.5096 10.2092 10.2092 10.3589 10.3589 10.4707 10.4707 11.0705 11.0705 15.1899 15.1899 26.4998 26.4998 28.2330 28.2330 k = 0.1645-0.0950 0.1343 ( 673 PWs) bands (ev): -8.4784 -8.4784 6.2153 6.2153 7.8083 7.8083 7.8485 7.8485 9.4929 9.4929 10.2165 10.2165 10.3907 10.3907 10.5018 10.5018 11.0959 11.0959 15.3259 15.3259 26.3941 26.3941 27.9657 27.9657 k = 0.1711-0.0988 0.1397 ( 673 PWs) bands (ev): -8.4517 -8.4517 6.1206 6.1206 7.7781 7.7781 7.8185 7.8185 9.4757 9.4757 10.2238 10.2238 10.4215 10.4215 10.5323 10.5323 11.1201 11.1201 15.4621 15.4621 26.2912 26.2912 27.6993 27.6993 k = 0.1776-0.1026 0.1450 ( 677 PWs) bands (ev): -8.4245 -8.4245 6.0284 6.0284 7.7486 7.7486 7.7890 7.7890 9.4582 9.4582 10.2311 10.2311 10.4512 10.4512 10.5619 10.5619 11.1429 11.1429 15.5980 15.5980 26.1909 26.1909 27.4349 27.4349 k = 0.1842-0.1064 0.1504 ( 677 PWs) bands (ev): -8.3967 -8.3967 5.9386 5.9386 7.7198 7.7198 7.7603 7.7603 9.4402 9.4402 10.2386 10.2386 10.4799 10.4799 10.5906 10.5906 11.1647 11.1647 15.7334 15.7334 26.0933 26.0933 27.1734 27.1734 k = 0.1908-0.1102 0.1558 ( 677 PWs) bands (ev): -8.3685 -8.3685 5.8515 5.8515 7.6917 7.6917 7.7323 7.7323 9.4219 9.4219 10.2460 10.2460 10.5076 10.5076 10.6184 10.6184 11.1854 11.1854 15.8680 15.8680 25.9983 25.9983 26.9154 26.9154 k = 0.1974-0.1140 0.1612 ( 677 PWs) bands (ev): -8.3399 -8.3399 5.7672 5.7672 7.6643 7.6643 7.7051 7.7051 9.4033 9.4033 10.2536 10.2536 10.5340 10.5340 10.6451 10.6451 11.2050 11.2050 16.0013 16.0013 25.9060 25.9060 26.6611 26.6611 k = 0.2039-0.1177 0.1665 ( 677 PWs) bands (ev): -8.3109 -8.3109 5.6857 5.6857 7.6378 7.6378 7.6786 7.6786 9.3840 9.3840 10.2612 10.2612 10.5594 10.5594 10.6708 10.6708 11.2236 11.2236 16.1331 16.1331 25.8162 25.8162 26.4109 26.4109 k = 0.2105-0.1215 0.1719 ( 677 PWs) bands (ev): -8.2816 -8.2816 5.6070 5.6070 7.6120 7.6120 7.6529 7.6529 9.3649 9.3649 10.2690 10.2690 10.5834 10.5834 10.6952 10.6952 11.2410 11.2410 16.2630 16.2630 25.7289 25.7289 26.1652 26.1652 k = 0.2171-0.1253 0.1773 ( 677 PWs) bands (ev): -8.2522 -8.2522 5.5312 5.5312 7.5870 7.5870 7.6280 7.6280 9.3456 9.3456 10.2767 10.2767 10.6062 10.6062 10.7185 10.7185 11.2573 11.2573 16.3908 16.3908 25.6442 25.6442 25.9242 25.9242 k = 0.2237-0.1291 0.1826 ( 677 PWs) bands (ev): -8.2225 -8.2225 5.4584 5.4584 7.5629 7.5629 7.6040 7.6040 9.3261 9.3261 10.2846 10.2846 10.6278 10.6278 10.7406 10.7406 11.2725 11.2725 16.5161 16.5161 25.5620 25.5620 25.6882 25.6882 k = 0.2303-0.1329 0.1880 ( 677 PWs) bands (ev): -8.1928 -8.1928 5.3886 5.3886 7.5396 7.5396 7.5807 7.5807 9.3065 9.3065 10.2924 10.2924 10.6480 10.6480 10.7614 10.7614 11.2866 11.2866 16.6386 16.6386 25.4575 25.4575 25.4822 25.4822 k = 0.2368-0.1367 0.1934 ( 677 PWs) bands (ev): -8.1630 -8.1630 5.3219 5.3219 7.5172 7.5172 7.5584 7.5584 9.2868 9.2868 10.3003 10.3003 10.6669 10.6669 10.7809 10.7809 11.2996 11.2996 16.7580 16.7580 25.2325 25.2325 25.4048 25.4048 k = 0.2434-0.1405 0.1988 ( 681 PWs) bands (ev): -8.1332 -8.1332 5.2582 5.2582 7.4956 7.4956 7.5368 7.5368 9.2670 9.2670 10.3083 10.3083 10.6846 10.6846 10.7992 10.7992 11.3111 11.3111 16.8740 16.8740 25.0134 25.0134 25.3299 25.3299 k = 0.2500-0.1443 0.2041 ( 681 PWs) bands (ev): -8.1034 -8.1034 5.1977 5.1977 7.4749 7.4749 7.5162 7.5162 9.2472 9.2472 10.3162 10.3162 10.7009 10.7009 10.8162 10.8162 11.3217 11.3217 16.9863 16.9863 24.8006 24.8006 25.2573 25.2573 k = 0.2566-0.1481 0.2095 ( 681 PWs) bands (ev): -8.0738 -8.0738 5.1404 5.1404 7.4550 7.4550 7.4964 7.4964 9.2275 9.2275 10.3242 10.3242 10.7159 10.7159 10.8320 10.8320 11.3311 11.3311 17.0946 17.0946 24.5943 24.5943 25.1871 25.1871 k = 0.2632-0.1519 0.2149 ( 673 PWs) bands (ev): -8.0444 -8.0444 5.0863 5.0863 7.4360 7.4360 7.4774 7.4774 9.2078 9.2078 10.3321 10.3321 10.7299 10.7299 10.8468 10.8468 11.3395 11.3395 17.1987 17.1987 24.3949 24.3949 25.1192 25.1192 k = 0.2697-0.1557 0.2202 ( 673 PWs) bands (ev): -8.0152 -8.0152 5.0353 5.0353 7.4178 7.4178 7.4593 7.4593 9.1882 9.1882 10.3400 10.3400 10.7424 10.7424 10.8600 10.8600 11.3464 11.3464 17.2981 17.2981 24.2026 24.2026 25.0535 25.0535 k = 0.2763-0.1595 0.2256 ( 673 PWs) bands (ev): -7.9862 -7.9862 4.9874 4.9874 7.4005 7.4005 7.4420 7.4420 9.1687 9.1687 10.3478 10.3478 10.7536 10.7536 10.8721 10.8721 11.3520 11.3520 17.3925 17.3925 24.0178 24.0178 24.9901 24.9901 k = 0.2829-0.1633 0.2310 ( 665 PWs) bands (ev): -7.9576 -7.9576 4.9427 4.9427 7.3839 7.3839 7.4256 7.4256 9.1495 9.1495 10.3561 10.3561 10.7637 10.7637 10.8830 10.8830 11.3564 11.3564 17.4817 17.4817 23.8408 23.8408 24.9290 24.9290 k = 0.2895-0.1671 0.2364 ( 665 PWs) bands (ev): -7.9294 -7.9294 4.9011 4.9011 7.3682 7.3682 7.4099 7.4099 9.1303 9.1303 10.3638 10.3638 10.7725 10.7725 10.8927 10.8927 11.3593 11.3593 17.5654 17.5654 23.6719 23.6719 24.8700 24.8700 k = 0.2961-0.1709 0.2417 ( 665 PWs) bands (ev): -7.9017 -7.9017 4.8626 4.8626 7.3534 7.3534 7.3951 7.3951 9.1114 9.1114 10.3714 10.3714 10.7801 10.7801 10.9012 10.9012 11.3608 11.3608 17.6434 17.6434 23.5114 23.5114 24.8131 24.8131 k = 0.3026-0.1747 0.2471 ( 665 PWs) bands (ev): -7.8744 -7.8744 4.8271 4.8271 7.3393 7.3393 7.3811 7.3811 9.0927 9.0927 10.3790 10.3790 10.7866 10.7866 10.9087 10.9087 11.3610 11.3610 17.7153 17.7153 23.3595 23.3595 24.7584 24.7584 k = 0.3092-0.1785 0.2525 ( 673 PWs) bands (ev): -7.8476 -7.8476 4.7945 4.7945 7.3259 7.3259 7.3678 7.3678 9.0742 9.0742 10.3864 10.3864 10.7918 10.7918 10.9149 10.9149 11.3594 11.3594 17.7808 17.7808 23.2166 23.2166 24.7058 24.7058 k = 0.3158-0.1823 0.2578 ( 673 PWs) bands (ev): -7.8215 -7.8215 4.7649 4.7649 7.3134 7.3134 7.3553 7.3553 9.0561 9.0561 10.3937 10.3937 10.7962 10.7962 10.9202 10.9202 11.3568 11.3568 17.8401 17.8401 23.0827 23.0827 24.6553 24.6553 k = 0.3224-0.1861 0.2632 ( 680 PWs) bands (ev): -7.7959 -7.7959 4.7382 4.7382 7.3016 7.3016 7.3435 7.3435 9.0383 9.0383 10.4009 10.4009 10.7992 10.7992 10.9243 10.9243 11.3528 11.3528 17.8929 17.8929 22.9581 22.9581 24.6068 24.6068 k = 0.3289-0.1899 0.2686 ( 680 PWs) bands (ev): -7.7711 -7.7711 4.7142 4.7142 7.2905 7.2905 7.3325 7.3325 9.0209 9.0209 10.4079 10.4079 10.8016 10.8016 10.9278 10.9278 11.3475 11.3475 17.9391 17.9391 22.8428 22.8428 24.5603 24.5603 k = 0.3355-0.1937 0.2740 ( 680 PWs) bands (ev): -7.7469 -7.7469 4.6929 4.6929 7.2801 7.2801 7.3222 7.3222 9.0039 9.0039 10.4148 10.4148 10.8032 10.8032 10.9305 10.9305 11.3408 11.3408 17.9787 17.9787 22.7369 22.7369 24.5158 24.5158 k = 0.3421-0.1975 0.2793 ( 680 PWs) bands (ev): -7.7234 -7.7234 4.6742 4.6742 7.2704 7.2704 7.3125 7.3125 8.9874 8.9874 10.4215 10.4215 10.8039 10.8039 10.9324 10.9324 11.3329 11.3329 18.0118 18.0118 22.6403 22.6403 24.4733 24.4733 k = 0.3487-0.2013 0.2847 ( 680 PWs) bands (ev): -7.7007 -7.7007 4.6579 4.6579 7.2614 7.2614 7.3035 7.3035 8.9713 8.9713 10.4280 10.4280 10.8039 10.8039 10.9336 10.9336 11.3237 11.3237 18.0385 18.0385 22.5529 22.5529 24.4327 24.4327 k = 0.3553-0.2051 0.2901 ( 680 PWs) bands (ev): -7.6789 -7.6789 4.6440 4.6440 7.2530 7.2530 7.2952 7.2952 8.9557 8.9557 10.4344 10.4344 10.8032 10.8032 10.9341 10.9341 11.3134 11.3134 18.0591 18.0591 22.4745 22.4745 24.3940 24.3940 k = 0.3618-0.2089 0.2954 ( 680 PWs) bands (ev): -7.6578 -7.6578 4.6323 4.6323 7.2452 7.2452 7.2874 7.2874 8.9406 8.9406 10.4405 10.4405 10.8018 10.8018 10.9341 10.9341 11.3020 11.3020 18.0739 18.0739 22.4048 22.4048 24.3572 24.3572 k = 0.3684-0.2127 0.3008 ( 680 PWs) bands (ev): -7.6376 -7.6376 4.6228 4.6228 7.2380 7.2380 7.2803 7.2803 8.9260 8.9260 10.4464 10.4464 10.7998 10.7998 10.9335 10.9335 11.2897 11.2897 18.0832 18.0832 22.3433 22.3433 24.3223 24.3223 k = 0.3750-0.2165 0.3062 ( 672 PWs) bands (ev): -7.6183 -7.6183 4.6151 4.6151 7.2313 7.2313 7.2737 7.2737 8.9124 8.9124 10.4521 10.4521 10.7976 10.7976 10.9328 10.9328 11.2765 11.2765 18.0876 18.0876 22.2897 22.2897 24.2892 24.2892 k = 0.3816-0.2203 0.3116 ( 676 PWs) bands (ev): -7.5999 -7.5999 4.6093 4.6093 7.2252 7.2252 7.2676 7.2676 8.8989 8.8989 10.4573 10.4573 10.7946 10.7946 10.9312 10.9312 11.2626 11.2626 18.0875 18.0875 22.2433 22.2433 24.2580 24.2580 k = 0.3882-0.2241 0.3169 ( 676 PWs) bands (ev): -7.5824 -7.5824 4.6051 4.6051 7.2196 7.2196 7.2620 7.2620 8.8861 8.8861 10.4625 10.4625 10.7912 10.7912 10.9294 10.9294 11.2481 11.2481 18.0835 18.0835 22.2037 22.2037 24.2286 24.2286 k = 0.3947-0.2279 0.3223 ( 676 PWs) bands (ev): -7.5658 -7.5658 4.6024 4.6024 7.2145 7.2145 7.2570 7.2570 8.8739 8.8739 10.4674 10.4674 10.7875 10.7875 10.9273 10.9273 11.2332 11.2332 18.0761 18.0761 22.1702 22.1702 24.2009 24.2009 k = 0.4013-0.2317 0.3277 ( 676 PWs) bands (ev): -7.5502 -7.5502 4.6010 4.6010 7.2098 7.2098 7.2524 7.2524 8.8624 8.8624 10.4721 10.4721 10.7835 10.7835 10.9250 10.9250 11.2181 11.2181 18.0660 18.0660 22.1422 22.1422 24.1750 24.1750 k = 0.4079-0.2355 0.3330 ( 676 PWs) bands (ev): -7.5355 -7.5355 4.6007 4.6007 7.2056 7.2056 7.2482 7.2482 8.8515 8.8515 10.4764 10.4764 10.7793 10.7793 10.9226 10.9226 11.2028 11.2028 18.0537 18.0537 22.1192 22.1192 24.1509 24.1509 k = 0.4145-0.2393 0.3384 ( 676 PWs) bands (ev): -7.5219 -7.5219 4.6014 4.6014 7.2018 7.2018 7.2444 7.2444 8.8412 8.8412 10.4806 10.4806 10.7750 10.7750 10.9200 10.9200 11.1876 11.1876 18.0399 18.0399 22.1005 22.1005 24.1285 24.1285 k = 0.4211-0.2431 0.3438 ( 676 PWs) bands (ev): -7.5092 -7.5092 4.6030 4.6030 7.1984 7.1984 7.2410 7.2410 8.8317 8.8317 10.4844 10.4844 10.7706 10.7706 10.9174 10.9174 11.1727 11.1727 18.0249 18.0249 22.0855 22.0855 24.1078 24.1078 k = 0.4276-0.2469 0.3492 ( 676 PWs) bands (ev): -7.4975 -7.4975 4.6051 4.6051 7.1954 7.1954 7.2380 7.2380 8.8229 8.8229 10.4879 10.4879 10.7662 10.7662 10.9148 10.9148 11.1582 11.1582 18.0094 18.0094 22.0737 22.0737 24.0888 24.0888 k = 0.4342-0.2507 0.3545 ( 676 PWs) bands (ev): -7.4868 -7.4868 4.6078 4.6078 7.1927 7.1927 7.2353 7.2353 8.8148 8.8148 10.4912 10.4912 10.7618 10.7618 10.9122 10.9122 11.1443 11.1443 17.9938 17.9938 22.0646 22.0646 24.0716 24.0716 k = 0.4408-0.2545 0.3599 ( 676 PWs) bands (ev): -7.4771 -7.4771 4.6107 4.6107 7.1903 7.1903 7.2330 7.2330 8.8074 8.8074 10.4941 10.4941 10.7575 10.7575 10.9098 10.9098 11.1312 11.1312 17.9785 17.9785 22.0577 22.0577 24.0560 24.0560 k = 0.4474-0.2583 0.3653 ( 676 PWs) bands (ev): -7.4684 -7.4684 4.6138 4.6138 7.1882 7.1882 7.2309 7.2309 8.8008 8.8008 10.4967 10.4967 10.7535 10.7535 10.9075 10.9075 11.1190 11.1190 17.9638 17.9638 22.0527 22.0527 24.0420 24.0420 k = 0.4539-0.2621 0.3706 ( 676 PWs) bands (ev): -7.4607 -7.4607 4.6169 4.6169 7.1864 7.1864 7.2291 7.2291 8.7949 8.7949 10.4991 10.4991 10.7497 10.7497 10.9053 10.9053 11.1079 11.1079 17.9502 17.9502 22.0491 22.0491 24.0298 24.0298 k = 0.4605-0.2659 0.3760 ( 676 PWs) bands (ev): -7.4541 -7.4541 4.6199 4.6199 7.1849 7.1849 7.2276 7.2276 8.7898 8.7898 10.5011 10.5011 10.7463 10.7463 10.9034 10.9034 11.0980 11.0980 17.9378 17.9378 22.0466 22.0466 24.0191 24.0191 k = 0.4671-0.2697 0.3814 ( 684 PWs) bands (ev): -7.4485 -7.4485 4.6226 4.6226 7.1836 7.1836 7.2264 7.2264 8.7853 8.7853 10.5026 10.5026 10.7430 10.7430 10.9014 10.9014 11.0894 11.0894 17.9270 17.9270 22.0449 22.0449 24.0101 24.0101 k = 0.4737-0.2735 0.3868 ( 684 PWs) bands (ev): -7.4439 -7.4439 4.6250 4.6250 7.1826 7.1826 7.2254 7.2254 8.7818 8.7818 10.5040 10.5040 10.7404 10.7404 10.9000 10.9000 11.0823 11.0823 17.9179 17.9179 22.0438 22.0438 24.0028 24.0028 k = 0.4803-0.2773 0.3921 ( 684 PWs) bands (ev): -7.4403 -7.4403 4.6270 4.6270 7.1818 7.1818 7.2246 7.2246 8.7790 8.7790 10.5051 10.5051 10.7383 10.7383 10.8989 10.8989 11.0767 11.0767 17.9106 17.9106 22.0432 22.0432 23.9971 23.9971 k = 0.4868-0.2811 0.3975 ( 692 PWs) bands (ev): -7.4377 -7.4377 4.6284 4.6284 7.1813 7.1813 7.2240 7.2240 8.7770 8.7770 10.5059 10.5059 10.7366 10.7366 10.8980 10.8980 11.0720 11.0720 17.9053 17.9053 22.0427 22.0427 23.9931 23.9931 k = 0.4934-0.2849 0.4029 ( 692 PWs) bands (ev): -7.4362 -7.4362 4.6293 4.6293 7.1809 7.1809 7.2237 7.2237 8.7758 8.7758 10.5063 10.5063 10.7356 10.7356 10.8975 10.8975 11.0696 11.0696 17.9022 17.9022 22.0425 22.0425 23.9906 23.9906 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -7.4357 -7.4357 4.6296 4.6296 7.1808 7.1808 7.2236 7.2236 8.7754 8.7754 10.5065 10.5065 10.7353 10.7353 10.8973 10.8973 11.0688 11.0688 17.9011 17.9011 22.0424 22.0424 23.9898 23.9898 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -7.4357 -7.4357 4.6296 4.6296 7.1808 7.1808 7.2236 7.2236 8.7754 8.7754 10.5065 10.5065 10.7353 10.7353 10.8973 10.8973 11.0688 11.0688 17.9011 17.9011 22.0424 22.0424 23.9898 23.9898 k = 0.5000-0.2811 0.4136 ( 692 PWs) bands (ev): -7.4355 -7.4355 4.6302 4.6302 7.1776 7.1776 7.2202 7.2202 8.7790 8.7790 10.5087 10.5087 10.7354 10.7354 10.8973 10.8973 11.0692 11.0692 17.9038 17.9038 22.0423 22.0423 23.9861 23.9861 k = 0.5000-0.2735 0.4190 ( 692 PWs) bands (ev): -7.4350 -7.4350 4.6318 4.6318 7.1679 7.1679 7.2099 7.2099 8.7898 8.7898 10.5153 10.5153 10.7355 10.7355 10.8974 10.8974 11.0705 11.0705 17.9119 17.9119 22.0420 22.0420 23.9750 23.9750 k = 0.5000-0.2659 0.4244 ( 686 PWs) bands (ev): -7.4342 -7.4342 4.6346 4.6346 7.1521 7.1521 7.1932 7.1932 8.8075 8.8075 10.5262 10.5262 10.7359 10.7359 10.8976 10.8976 11.0728 11.0728 17.9254 17.9254 22.0415 22.0415 23.9569 23.9569 k = 0.5000-0.2583 0.4297 ( 686 PWs) bands (ev): -7.4330 -7.4330 4.6385 4.6385 7.1302 7.1302 7.1703 7.1703 8.8313 8.8313 10.5407 10.5407 10.7363 10.7363 10.8977 10.8977 11.0760 11.0760 17.9442 17.9442 22.0408 22.0408 23.9319 23.9319 k = 0.5000-0.2507 0.4351 ( 684 PWs) bands (ev): -7.4315 -7.4315 4.6436 4.6436 7.1029 7.1029 7.1420 7.1420 8.8610 8.8610 10.5584 10.5584 10.7369 10.7369 10.8979 10.8979 11.0804 11.0804 17.9684 17.9684 22.0399 22.0399 23.9006 23.9006 k = 0.5000-0.2431 0.4405 ( 684 PWs) bands (ev): -7.4297 -7.4297 4.6497 4.6497 7.0704 7.0704 7.1086 7.1086 8.8956 8.8956 10.5786 10.5786 10.7377 10.7377 10.8982 10.8982 11.0860 11.0860 17.9978 17.9978 22.0388 22.0388 23.8636 23.8636 k = 0.5000-0.2355 0.4459 ( 676 PWs) bands (ev): -7.4276 -7.4276 4.6570 4.6570 7.0336 7.0336 7.0708 7.0708 8.9348 8.9348 10.6007 10.6007 10.7391 10.7391 10.8988 10.8988 11.0932 11.0932 18.0326 18.0326 22.0377 22.0377 23.8214 23.8214 k = 0.5000-0.2279 0.4512 ( 674 PWs) bands (ev): -7.4253 -7.4253 4.6654 4.6654 6.9927 6.9927 7.0291 7.0291 8.9776 8.9776 10.6235 10.6235 10.7410 10.7410 10.8994 10.8994 11.1019 11.1019 18.0725 18.0725 22.0364 22.0364 23.7746 23.7746 k = 0.5000-0.2203 0.4566 ( 674 PWs) bands (ev): -7.4226 -7.4226 4.6749 4.6749 6.9485 6.9485 6.9841 6.9841 9.0235 9.0235 10.6456 10.6456 10.7438 10.7438 10.9002 10.9002 11.1125 11.1125 18.1175 18.1175 22.0351 22.0351 23.7238 23.7239 k = 0.5000-0.2127 0.4620 ( 670 PWs) bands (ev): -7.4197 -7.4197 4.6855 4.6855 6.9015 6.9015 6.9363 6.9363 9.0725 9.0725 10.6657 10.6657 10.7482 10.7482 10.9014 10.9014 11.1253 11.1253 18.1675 18.1675 22.0337 22.0337 23.6698 23.6698 k = 0.5000-0.2051 0.4673 ( 670 PWs) bands (ev): -7.4166 -7.4166 4.6973 4.6973 6.8521 6.8521 6.8862 6.8862 9.1232 9.1232 10.6822 10.6822 10.7548 10.7548 10.9029 10.9029 11.1405 11.1405 18.2224 18.2224 22.0323 22.0323 23.6131 23.6131 k = 0.5000-0.1975 0.4727 ( 674 PWs) bands (ev): -7.4133 -7.4133 4.7102 4.7102 6.8009 6.8009 6.8342 6.8342 9.1755 9.1755 10.6939 10.6939 10.7638 10.7638 10.9049 10.9049 11.1581 11.1581 18.2821 18.2821 22.0309 22.0309 23.5542 23.5542 k = 0.5000-0.1899 0.4781 ( 674 PWs) bands (ev): -7.4098 -7.4098 4.7242 4.7242 6.7481 6.7481 6.7808 6.7808 9.2292 9.2292 10.7013 10.7013 10.7744 10.7744 10.9076 10.9076 11.1787 11.1787 18.3465 18.3465 22.0297 22.0297 23.4937 23.4937 k = 0.5000-0.1823 0.4835 ( 674 PWs) bands (ev): -7.4061 -7.4061 4.7394 4.7394 6.6942 6.6942 6.7264 6.7264 9.2837 9.2837 10.7054 10.7054 10.7850 10.7850 10.9109 10.9109 11.2021 11.2021 18.4152 18.4152 22.0287 22.0287 23.4319 23.4319 k = 0.5000-0.1747 0.4888 ( 674 PWs) bands (ev): -7.4022 -7.4022 4.7557 4.7557 6.6394 6.6394 6.6715 6.6715 9.3390 9.3390 10.7073 10.7073 10.7942 10.7942 10.9148 10.9148 11.2279 11.2279 18.4882 18.4882 22.0279 22.0279 23.3695 23.3695 k = 0.5000-0.1671 0.4942 ( 678 PWs) bands (ev): -7.3983 -7.3983 4.7731 4.7731 6.5839 6.5839 6.6164 6.6164 9.3945 9.3945 10.7077 10.7077 10.8013 10.8013 10.9191 10.9191 11.2559 11.2559 18.5652 18.5652 22.0274 22.0274 23.3067 23.3067 k = 0.5000-0.1595 0.4996 ( 678 PWs) bands (ev): -7.3943 -7.3943 4.7917 4.7917 6.5281 6.5281 6.5615 6.5615 9.4502 9.4502 10.7071 10.7071 10.8065 10.8065 10.9237 10.9237 11.2856 11.2856 18.6459 18.6459 22.0272 22.0272 23.2438 23.2438 k = 0.5000-0.1519 0.5049 ( 678 PWs) bands (ev): -7.3901 -7.3901 4.8114 4.8114 6.4720 6.4720 6.5072 6.5072 9.5059 9.5059 10.7056 10.7056 10.8097 10.8097 10.9284 10.9284 11.3165 11.3165 18.7300 18.7300 22.0275 22.0275 23.1813 23.1813 k = 0.5000-0.1443 0.5103 ( 674 PWs) bands (ev): -7.3860 -7.3860 4.8322 4.8322 6.4157 6.4157 6.4538 6.4538 9.5614 9.5614 10.7034 10.7034 10.8114 10.8114 10.9331 10.9331 11.3483 11.3483 18.8171 18.8171 22.0284 22.0284 23.1194 23.1194 k = 0.5000-0.1367 0.5157 ( 678 PWs) bands (ev): -7.3819 -7.3819 4.8542 4.8542 6.3595 6.3595 6.4015 6.4015 9.6161 9.6161 10.7002 10.7002 10.8118 10.8118 10.9374 10.9374 11.3800 11.3800 18.9070 18.9070 22.0298 22.0298 23.0583 23.0583 k = 0.5000-0.1291 0.5211 ( 678 PWs) bands (ev): -7.3777 -7.3777 4.8774 4.8774 6.3034 6.3034 6.3508 6.3508 9.6705 9.6705 10.6962 10.6962 10.8113 10.8113 10.9414 10.9414 11.4116 11.4116 18.9990 18.9990 22.0319 22.0319 22.9982 22.9982 k = 0.5000-0.1215 0.5264 ( 678 PWs) bands (ev): -7.3737 -7.3737 4.9016 4.9016 6.2476 6.2476 6.3018 6.3018 9.7241 9.7241 10.6912 10.6912 10.8100 10.8100 10.9451 10.9451 11.4426 11.4426 19.0927 19.0927 22.0347 22.0347 22.9394 22.9394 k = 0.5000-0.1140 0.5318 ( 678 PWs) bands (ev): -7.3697 -7.3697 4.9271 4.9271 6.1921 6.1921 6.2547 6.2547 9.7770 9.7770 10.6852 10.6852 10.8083 10.8083 10.9484 10.9484 11.4726 11.4726 19.1877 19.1877 22.0383 22.0383 22.8820 22.8820 k = 0.5000-0.1064 0.5372 ( 678 PWs) bands (ev): -7.3658 -7.3658 4.9537 4.9537 6.1370 6.1370 6.2098 6.2098 9.8288 9.8288 10.6780 10.6780 10.8064 10.8064 10.9514 10.9514 11.5015 11.5015 19.2832 19.2832 22.0428 22.0428 22.8261 22.8261 k = 0.5000-0.0988 0.5425 ( 682 PWs) bands (ev): -7.3620 -7.3620 4.9814 4.9814 6.0824 6.0824 6.1672 6.1672 9.8795 9.8795 10.6695 10.6695 10.8041 10.8041 10.9540 10.9540 11.5290 11.5290 19.3785 19.3785 22.0483 22.0483 22.7718 22.7718 k = 0.5000-0.0912 0.5479 ( 678 PWs) bands (ev): -7.3584 -7.3584 5.0102 5.0102 6.0284 6.0284 6.1273 6.1273 9.9292 9.9292 10.6597 10.6597 10.8020 10.8020 10.9563 10.9563 11.5551 11.5551 19.4730 19.4730 22.0548 22.0548 22.7194 22.7194 k = 0.5000-0.0836 0.5533 ( 678 PWs) bands (ev): -7.3550 -7.3550 5.0403 5.0403 5.9751 5.9751 6.0898 6.0898 9.9776 9.9776 10.6485 10.6485 10.7999 10.7999 10.9585 10.9585 11.5793 11.5793 19.5657 19.5657 22.0626 22.0626 22.6689 22.6689 k = 0.5000-0.0760 0.5587 ( 682 PWs) bands (ev): -7.3518 -7.3518 5.0714 5.0714 5.9225 5.9225 6.0552 6.0552 10.0243 10.0243 10.6357 10.6357 10.7979 10.7979 10.9602 10.9602 11.6016 11.6016 19.6558 19.6558 22.0715 22.0715 22.6203 22.6203 k = 0.5000-0.0684 0.5640 ( 682 PWs) bands (ev): -7.3488 -7.3488 5.1037 5.1037 5.8707 5.8707 6.0235 6.0235 10.0699 10.0699 10.6214 10.6214 10.7961 10.7961 10.9619 10.9619 11.6221 11.6221 19.7423 19.7423 22.0819 22.0819 22.5737 22.5737 k = 0.5000-0.0608 0.5694 ( 682 PWs) bands (ev): -7.3461 -7.3461 5.1371 5.1371 5.8197 5.8197 5.9948 5.9948 10.1140 10.1140 10.6056 10.6056 10.7945 10.7945 10.9633 10.9633 11.6405 11.6405 19.8241 19.8241 22.0936 22.0936 22.5292 22.5292 k = 0.5000-0.0532 0.5748 ( 682 PWs) bands (ev): -7.3437 -7.3437 5.1717 5.1717 5.7696 5.7696 5.9693 5.9693 10.1565 10.1565 10.5882 10.5882 10.7931 10.7931 10.9646 10.9646 11.6568 11.6568 19.9002 19.9002 22.1067 22.1067 22.4868 22.4868 k = 0.5000-0.0456 0.5801 ( 686 PWs) bands (ev): -7.3415 -7.3415 5.2074 5.2074 5.7203 5.7203 5.9470 5.9470 10.1972 10.1972 10.5691 10.5691 10.7920 10.7920 10.9656 10.9656 11.6708 11.6708 19.9692 19.9692 22.1215 22.1215 22.4466 22.4466 k = 0.5000-0.0380 0.5855 ( 688 PWs) bands (ev): -7.3397 -7.3397 5.2442 5.2442 5.6719 5.6719 5.9279 5.9279 10.2364 10.2364 10.5486 10.5486 10.7910 10.7910 10.9665 10.9665 11.6828 11.6828 20.0302 20.0302 22.1378 22.1378 22.4085 22.4085 k = 0.5000-0.0304 0.5909 ( 684 PWs) bands (ev): -7.3381 -7.3381 5.2822 5.2822 5.6246 5.6246 5.9123 5.9123 10.2736 10.2736 10.5268 10.5268 10.7903 10.7903 10.9672 10.9672 11.6927 11.6927 20.0820 20.0820 22.1558 22.1558 22.3726 22.3726 k = 0.5000-0.0228 0.5963 ( 684 PWs) bands (ev): -7.3369 -7.3369 5.3212 5.3212 5.5782 5.5782 5.9000 5.9000 10.3087 10.3087 10.5037 10.5037 10.7897 10.7897 10.9678 10.9678 11.7004 11.7004 20.1235 20.1235 22.1754 22.1754 22.3390 22.3390 k = 0.5000-0.0152 0.6016 ( 684 PWs) bands (ev): -7.3360 -7.3360 5.3612 5.3612 5.5329 5.5329 5.8913 5.8913 10.3409 10.3409 10.4800 10.4800 10.7893 10.7893 10.9682 10.9682 11.7059 11.7059 20.1539 20.1539 22.1965 22.1965 22.3079 22.3079 k = 0.5000-0.0076 0.6070 ( 684 PWs) bands (ev): -7.3355 -7.3355 5.4023 5.4023 5.4887 5.4887 5.8860 5.8860 10.3679 10.3679 10.4582 10.4582 10.7891 10.7891 10.9684 10.9684 11.7093 11.7093 20.1724 20.1724 22.2183 22.2183 22.2801 22.2801 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -7.3353 -7.3353 5.4392 5.4392 5.4507 5.4507 5.8843 5.8843 10.3806 10.3806 10.4471 10.4471 10.7890 10.7890 10.9685 10.9685 11.7104 11.7104 20.1786 20.1786 22.2326 22.2326 22.2637 22.2637 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -7.3353 -7.3353 5.4392 5.4392 5.4507 5.4507 5.8843 5.8843 10.3806 10.3806 10.4471 10.4471 10.7890 10.7890 10.9685 10.9685 11.7104 11.7104 20.1786 20.1786 22.2326 22.2326 22.2637 22.2637 k = 0.4954 0.0080 0.6124 ( 684 PWs) bands (ev): -7.3355 -7.3355 5.4147 5.4147 5.4729 5.4729 5.8874 5.8874 10.3737 10.3737 10.4529 10.4529 10.7894 10.7894 10.9690 10.9690 11.7105 11.7105 20.1762 20.1762 22.2239 22.2239 22.2701 22.2701 k = 0.4907 0.0160 0.6124 ( 684 PWs) bands (ev): -7.3360 -7.3360 5.3863 5.3863 5.4940 5.4940 5.8974 5.8974 10.3570 10.3570 10.4662 10.4662 10.7909 10.7909 10.9708 10.9708 11.7107 11.7107 20.1691 20.1691 22.2089 22.2089 22.2777 22.2777 k = 0.4861 0.0241 0.6124 ( 684 PWs) bands (ev): -7.3367 -7.3367 5.3587 5.3587 5.5087 5.5087 5.9145 5.9145 10.3356 10.3356 10.4820 10.4820 10.7932 10.7932 10.9737 10.9737 11.7110 11.7110 20.1575 20.1575 22.1935 22.1935 22.2807 22.2807 k = 0.4815 0.0321 0.6124 ( 684 PWs) bands (ev): -7.3376 -7.3376 5.3321 5.3321 5.5172 5.5172 5.9384 5.9384 10.3116 10.3116 10.4982 10.4982 10.7964 10.7964 10.9779 10.9779 11.7115 11.7115 20.1417 20.1417 22.1786 22.1786 22.2782 22.2782 k = 0.4769 0.0401 0.6124 ( 686 PWs) bands (ev): -7.3388 -7.3388 5.3065 5.3065 5.5202 5.5202 5.9681 5.9681 10.2860 10.2860 10.5140 10.5140 10.8003 10.8003 10.9833 10.9833 11.7119 11.7119 20.1218 20.1218 22.1643 22.1643 22.2705 22.2705 k = 0.4722 0.0481 0.6124 ( 688 PWs) bands (ev): -7.3402 -7.3402 5.2819 5.2819 5.5188 5.5188 6.0023 6.0023 10.2592 10.2592 10.5294 10.5294 10.8048 10.8048 10.9900 10.9900 11.7124 11.7124 20.0983 20.0983 22.1509 22.1509 22.2583 22.2583 k = 0.4676 0.0561 0.6124 ( 684 PWs) bands (ev): -7.3417 -7.3417 5.2584 5.2584 5.5141 5.5141 6.0399 6.0399 10.2319 10.2319 10.5439 10.5439 10.8098 10.8098 10.9981 10.9981 11.7130 11.7130 20.0713 20.0713 22.1382 22.1382 22.2424 22.2424 k = 0.4630 0.0642 0.6124 ( 681 PWs) bands (ev): -7.3433 -7.3433 5.2360 5.2360 5.5072 5.5072 6.0797 6.0797 10.2039 10.2039 10.5577 10.5577 10.8152 10.8152 11.0075 11.0075 11.7135 11.7135 20.0413 20.0413 22.1262 22.1262 22.2238 22.2238 k = 0.4583 0.0722 0.6124 ( 683 PWs) bands (ev): -7.3450 -7.3450 5.2146 5.2146 5.4988 5.4988 6.1206 6.1206 10.1755 10.1755 10.5705 10.5705 10.8208 10.8208 11.0178 11.0178 11.7139 11.7139 20.0086 20.0086 22.1149 22.1149 22.2031 22.2031 k = 0.4537 0.0802 0.6124 ( 680 PWs) bands (ev): -7.3468 -7.3468 5.1943 5.1943 5.4894 5.4894 6.1621 6.1621 10.1471 10.1471 10.5824 10.5824 10.8265 10.8265 11.0295 11.0295 11.7143 11.7143 19.9736 19.9736 22.1041 22.1041 22.1815 22.1815 k = 0.4491 0.0882 0.6124 ( 680 PWs) bands (ev): -7.3486 -7.3486 5.1751 5.1751 5.4794 5.4794 6.2035 6.2035 10.1189 10.1189 10.5934 10.5934 10.8322 10.8322 11.0421 11.0421 11.7144 11.7144 19.9368 19.9368 22.0938 22.0938 22.1595 22.1595 k = 0.4444 0.0962 0.6124 ( 680 PWs) bands (ev): -7.3505 -7.3505 5.1571 5.1571 5.4692 5.4692 6.2444 6.2444 10.0911 10.0911 10.6035 10.6035 10.8379 10.8379 11.0555 11.0555 11.7145 11.7145 19.8986 19.8986 22.0838 22.0838 22.1380 22.1380 k = 0.4398 0.1042 0.6124 ( 680 PWs) bands (ev): -7.3523 -7.3523 5.1401 5.1401 5.4591 5.4591 6.2843 6.2843 10.0638 10.0638 10.6127 10.6127 10.8434 10.8434 11.0696 11.0696 11.7144 11.7144 19.8596 19.8596 22.0736 22.0736 22.1179 22.1179 k = 0.4352 0.1123 0.6124 ( 680 PWs) bands (ev): -7.3541 -7.3541 5.1243 5.1243 5.4491 5.4491 6.3230 6.3230 10.0374 10.0374 10.6212 10.6212 10.8487 10.8487 11.0841 11.0841 11.7143 11.7143 19.8204 19.8204 22.0626 22.0626 22.1000 22.1000 k = 0.4306 0.1203 0.6124 ( 684 PWs) bands (ev): -7.3559 -7.3559 5.1096 5.1096 5.4395 5.4395 6.3599 6.3599 10.0118 10.0118 10.6287 10.6287 10.8538 10.8538 11.0988 11.0988 11.7138 11.7138 19.7813 19.7813 22.0502 22.0502 22.0854 22.0854 k = 0.4259 0.1283 0.6124 ( 682 PWs) bands (ev): -7.3576 -7.3576 5.0961 5.0961 5.4304 5.4304 6.3950 6.3950 9.9876 9.9876 10.6355 10.6355 10.8586 10.8586 11.1136 11.1136 11.7134 11.7134 19.7430 19.7430 22.0364 22.0364 22.0742 22.0742 k = 0.4213 0.1363 0.6124 ( 684 PWs) bands (ev): -7.3592 -7.3592 5.0837 5.0837 5.4218 5.4218 6.4280 6.4280 9.9647 9.9647 10.6415 10.6415 10.8631 10.8631 11.1282 11.1282 11.7128 11.7128 19.7060 19.7060 22.0220 22.0220 22.0656 22.0656 k = 0.4167 0.1443 0.6124 ( 684 PWs) bands (ev): -7.3608 -7.3608 5.0725 5.0725 5.4138 5.4138 6.4585 6.4585 9.9433 9.9433 10.6469 10.6469 10.8673 10.8673 11.1423 11.1423 11.7121 11.7121 19.6708 19.6708 22.0081 22.0081 22.0588 22.0588 k = 0.4120 0.1524 0.6124 ( 676 PWs) bands (ev): -7.3621 -7.3621 5.0625 5.0625 5.4066 5.4066 6.4866 6.4866 9.9238 9.9238 10.6519 10.6519 10.8713 10.8713 11.1559 11.1559 11.7116 11.7116 19.6379 19.6379 21.9951 21.9951 22.0534 22.0534 k = 0.4074 0.1604 0.6124 ( 676 PWs) bands (ev): -7.3634 -7.3634 5.0536 5.0536 5.4001 5.4001 6.5118 6.5118 9.9060 9.9060 10.6559 10.6559 10.8747 10.8747 11.1684 11.1684 11.7108 11.7108 19.6077 19.6077 21.9834 21.9834 22.0488 22.0488 k = 0.4028 0.1684 0.6124 ( 679 PWs) bands (ev): -7.3645 -7.3645 5.0459 5.0459 5.3944 5.3944 6.5340 6.5340 9.8901 9.8901 10.6594 10.6594 10.8778 10.8778 11.1797 11.1797 11.7100 11.7100 19.5806 19.5806 21.9732 21.9732 22.0450 22.0450 k = 0.3981 0.1764 0.6124 ( 679 PWs) bands (ev): -7.3655 -7.3655 5.0393 5.0393 5.3895 5.3895 6.5531 6.5531 9.8765 9.8765 10.6622 10.6622 10.8804 10.8804 11.1897 11.1897 11.7092 11.7092 19.5571 19.5571 21.9645 21.9645 22.0419 22.0419 k = 0.3935 0.1844 0.6124 ( 679 PWs) bands (ev): -7.3663 -7.3663 5.0340 5.0340 5.3854 5.3854 6.5689 6.5689 9.8652 9.8652 10.6646 10.6646 10.8825 10.8825 11.1982 11.1982 11.7085 11.7085 19.5374 19.5374 21.9574 21.9574 22.0394 22.0394 k = 0.3889 0.1925 0.6124 ( 681 PWs) bands (ev): -7.3669 -7.3669 5.0298 5.0298 5.3823 5.3823 6.5812 6.5812 9.8562 9.8562 10.6663 10.6663 10.8842 10.8842 11.2049 11.2049 11.7078 11.7078 19.5218 19.5218 21.9518 21.9518 22.0375 22.0375 k = 0.3843 0.2005 0.6124 ( 682 PWs) bands (ev): -7.3674 -7.3674 5.0269 5.0269 5.3800 5.3800 6.5902 6.5902 9.8498 9.8498 10.6676 10.6676 10.8855 10.8855 11.2098 11.2098 11.7073 11.7073 19.5105 19.5105 21.9479 21.9479 22.0361 22.0361 k = 0.3796 0.2085 0.6124 ( 682 PWs) bands (ev): -7.3677 -7.3677 5.0251 5.0251 5.3787 5.3787 6.5956 6.5956 9.8459 9.8459 10.6683 10.6683 10.8862 10.8862 11.2128 11.2128 11.7070 11.7070 19.5036 19.5036 21.9455 21.9455 22.0353 22.0353 k = 0.3750 0.2165 0.6124 ( 682 PWs) bands (ev): -7.3678 -7.3678 5.0245 5.0245 5.3782 5.3782 6.5974 6.5974 9.8446 9.8446 10.6686 10.6686 10.8864 10.8864 11.2138 11.2138 11.7069 11.7069 19.5013 19.5013 21.9447 21.9447 22.0350 22.0350 k = 0.3750 0.2165 0.6124 ( 682 PWs) bands (ev): -7.3678 -7.3678 5.0245 5.0245 5.3782 5.3782 6.5974 6.5974 9.8446 9.8446 10.6686 10.6686 10.8864 10.8864 11.2138 11.2138 11.7069 11.7069 19.5013 19.5013 21.9447 21.9447 22.0350 22.0350 k = 0.3703 0.2138 0.6047 ( 682 PWs) bands (ev): -7.3667 -7.3667 5.0540 5.0540 5.3022 5.3022 6.5709 6.5709 9.8892 9.8892 10.6601 10.6601 10.8880 10.8880 11.2165 11.2165 11.7713 11.7713 19.6018 19.6018 21.8237 21.8237 22.0378 22.0378 k = 0.3656 0.2111 0.5971 ( 682 PWs) bands (ev): -7.3662 -7.3662 5.0844 5.0844 5.2285 5.2285 6.5452 6.5452 9.9331 9.9331 10.6512 10.6512 10.8894 10.8894 11.2186 11.2186 11.8352 11.8352 19.7036 19.7036 21.7000 21.7000 22.0429 22.0429 k = 0.3609 0.2084 0.5894 ( 680 PWs) bands (ev): -7.3662 -7.3662 5.1157 5.1157 5.1572 5.1572 6.5206 6.5206 9.9760 9.9760 10.6419 10.6419 10.8909 10.8909 11.2201 11.2201 11.8987 11.8987 19.8067 19.8067 21.5751 21.5751 22.0493 22.0493 k = 0.3563 0.2057 0.5818 ( 680 PWs) bands (ev): -7.3669 -7.3669 5.0880 5.0880 5.1485 5.1485 6.4969 6.4969 10.0183 10.0183 10.6321 10.6321 10.8921 10.8921 11.2210 11.2210 11.9614 11.9614 19.9110 19.9110 21.4492 21.4492 22.0569 22.0569 k = 0.3516 0.2030 0.5741 ( 680 PWs) bands (ev): -7.3683 -7.3683 5.0219 5.0219 5.1818 5.1818 6.4743 6.4743 10.0595 10.0595 10.6220 10.6220 10.8931 10.8931 11.2213 11.2213 12.0232 12.0232 20.0163 20.0163 21.3225 21.3225 22.0657 22.0657 k = 0.3469 0.2003 0.5664 ( 680 PWs) bands (ev): -7.3704 -7.3704 4.9586 4.9586 5.2161 5.2161 6.4529 6.4529 10.0998 10.0998 10.6114 10.6114 10.8939 10.8939 11.2211 11.2211 12.0839 12.0839 20.1228 20.1228 21.1952 21.1952 22.0758 22.0758 k = 0.3422 0.1976 0.5588 ( 680 PWs) bands (ev): -7.3733 -7.3733 4.8982 4.8982 5.2513 5.2513 6.4326 6.4326 10.1389 10.1389 10.6005 10.6005 10.8946 10.8946 11.2203 11.2203 12.1434 12.1434 20.2302 20.2302 21.0674 21.0674 22.0873 22.0873 k = 0.3375 0.1949 0.5511 ( 680 PWs) bands (ev): -7.3770 -7.3770 4.8410 4.8410 5.2874 5.2874 6.4135 6.4135 10.1768 10.1768 10.5891 10.5891 10.8950 10.8950 11.2190 11.2190 12.2014 12.2014 20.3386 20.3386 20.9392 20.9392 22.1003 22.1003 k = 0.3328 0.1921 0.5435 ( 680 PWs) bands (ev): -7.3816 -7.3816 4.7869 4.7869 5.3244 5.3244 6.3958 6.3958 10.2133 10.2133 10.5775 10.5775 10.8951 10.8951 11.2171 11.2171 12.2579 12.2579 20.4477 20.4477 20.8111 20.8111 22.1148 22.1148 k = 0.3281 0.1894 0.5358 ( 680 PWs) bands (ev): -7.3870 -7.3870 4.7362 4.7362 5.3623 5.3623 6.3793 6.3793 10.2485 10.2485 10.5655 10.5655 10.8950 10.8950 11.2148 11.2148 12.3126 12.3126 20.5564 20.5564 20.6843 20.6843 22.1309 22.1309 k = 0.3234 0.1867 0.5282 ( 680 PWs) bands (ev): -7.3934 -7.3934 4.6890 4.6890 5.4011 5.4011 6.3643 6.3643 10.2821 10.2821 10.5531 10.5531 10.8946 10.8946 11.2120 11.2120 12.3654 12.3654 20.5495 20.5495 20.6741 20.6741 22.1488 22.1488 k = 0.3187 0.1840 0.5205 ( 680 PWs) bands (ev): -7.4008 -7.4008 4.6453 4.6453 5.4407 5.4407 6.3506 6.3506 10.3142 10.3142 10.5405 10.5405 10.8939 10.8939 11.2088 11.2088 12.4161 12.4161 20.4227 20.4227 20.7848 20.7848 22.1684 22.1684 k = 0.3141 0.1813 0.5129 ( 680 PWs) bands (ev): -7.4092 -7.4092 4.6053 4.6053 5.4811 5.4811 6.3384 6.3384 10.3445 10.3445 10.5276 10.5276 10.8928 10.8928 11.2051 11.2051 12.4646 12.4646 20.2944 20.2944 20.8983 20.8983 22.1898 22.1898 k = 0.3094 0.1786 0.5052 ( 680 PWs) bands (ev): -7.4186 -7.4186 4.5691 4.5691 5.5224 5.5224 6.3276 6.3276 10.3731 10.3731 10.5143 10.5143 10.8914 10.8914 11.2010 11.2010 12.5107 12.5107 20.1659 20.1659 21.0132 21.0132 22.2133 22.2133 k = 0.3047 0.1759 0.4976 ( 682 PWs) bands (ev): -7.4290 -7.4290 4.5366 4.5366 5.5644 5.5644 6.3182 6.3182 10.3997 10.3997 10.5009 10.5009 10.8896 10.8896 11.1965 11.1965 12.5543 12.5543 20.0377 20.0377 21.1294 21.1294 22.2388 22.2388 k = 0.3000 0.1732 0.4899 ( 682 PWs) bands (ev): -7.4406 -7.4406 4.5080 4.5080 5.6073 5.6073 6.3104 6.3104 10.4243 10.4243 10.4872 10.4872 10.8874 10.8874 11.1917 11.1917 12.5953 12.5953 19.9096 19.9096 21.2470 21.2470 22.2664 22.2664 k = 0.2953 0.1705 0.4822 ( 682 PWs) bands (ev): -7.4532 -7.4532 4.4834 4.4834 5.6509 5.6509 6.3041 6.3041 10.4466 10.4466 10.4737 10.4737 10.8847 10.8847 11.1865 11.1865 12.6335 12.6335 19.7819 19.7819 21.3659 21.3659 22.2962 22.2962 k = 0.2906 0.1678 0.4746 ( 680 PWs) bands (ev): -7.4669 -7.4669 4.4627 4.4627 5.6952 5.6952 6.2995 6.2995 10.4566 10.4566 10.4702 10.4702 10.8817 10.8817 11.1810 11.1810 12.6688 12.6688 19.6545 19.6545 21.4864 21.4864 22.3283 22.3283 k = 0.2859 0.1651 0.4669 ( 682 PWs) bands (ev): -7.4817 -7.4817 4.4461 4.4461 5.7403 5.7403 6.2964 6.2964 10.4435 10.4435 10.4873 10.4873 10.8780 10.8780 11.1750 11.1750 12.7010 12.7010 19.5275 19.5275 21.6083 21.6083 22.3627 22.3627 k = 0.2812 0.1624 0.4593 ( 674 PWs) bands (ev): -7.4976 -7.4976 4.4337 4.4337 5.7860 5.7860 6.2951 6.2951 10.4290 10.4290 10.5035 10.5035 10.8743 10.8743 11.1691 11.1691 12.7302 12.7302 19.4009 19.4009 21.7319 21.7319 22.3997 22.3997 k = 0.2766 0.1597 0.4516 ( 674 PWs) bands (ev): -7.5146 -7.5146 4.4253 4.4253 5.8325 5.8325 6.2952 6.2952 10.4142 10.4142 10.5178 10.5178 10.8696 10.8696 11.1625 11.1625 12.7561 12.7561 19.2747 19.2747 21.8571 21.8571 22.4392 22.4392 k = 0.2719 0.1570 0.4440 ( 674 PWs) bands (ev): -7.5327 -7.5327 4.4210 4.4210 5.8796 5.8796 6.2969 6.2969 10.3991 10.3991 10.5299 10.5299 10.8644 10.8644 11.1555 11.1555 12.7786 12.7786 19.1489 19.1489 21.9841 21.9841 22.4813 22.4813 k = 0.2672 0.1543 0.4363 ( 674 PWs) bands (ev): -7.5518 -7.5518 4.4209 4.4209 5.9273 5.9273 6.3002 6.3002 10.3838 10.3838 10.5399 10.5399 10.8586 10.8586 11.1482 11.1482 12.7977 12.7977 19.0236 19.0236 22.1127 22.1127 22.5263 22.5263 k = 0.2625 0.1516 0.4287 ( 674 PWs) bands (ev): -7.5720 -7.5720 4.4249 4.4249 5.9757 5.9757 6.3053 6.3053 10.3684 10.3684 10.5478 10.5478 10.8522 10.8522 11.1404 11.1404 12.8133 12.8133 18.8987 18.8987 22.2431 22.2431 22.5742 22.5742 k = 0.2578 0.1488 0.4210 ( 674 PWs) bands (ev): -7.5933 -7.5933 4.4330 4.4330 6.0247 6.0247 6.3119 6.3119 10.3529 10.3529 10.5537 10.5537 10.8451 10.8451 11.1322 11.1322 12.8253 12.8253 18.7742 18.7742 22.3750 22.3750 22.6255 22.6255 k = 0.2531 0.1461 0.4134 ( 674 PWs) bands (ev): -7.6155 -7.6155 4.4453 4.4453 6.0742 6.0742 6.3203 6.3203 10.3372 10.3372 10.5576 10.5576 10.8373 10.8373 11.1234 11.1234 12.8337 12.8337 18.6501 18.6501 22.5076 22.5076 22.6810 22.6810 k = 0.2484 0.1434 0.4057 ( 672 PWs) bands (ev): -7.6387 -7.6387 4.4617 4.4617 6.1243 6.1243 6.3302 6.3302 10.3214 10.3214 10.5597 10.5597 10.8289 10.8289 11.1141 11.1141 12.8386 12.8386 18.5264 18.5264 22.6381 22.6381 22.7437 22.7437 k = 0.2437 0.1407 0.3980 ( 672 PWs) bands (ev): -7.6629 -7.6629 4.4822 4.4822 6.1749 6.1749 6.3419 6.3419 10.3055 10.3055 10.5599 10.5599 10.8197 10.8197 11.1042 11.1042 12.8396 12.8396 18.4031 18.4031 22.7522 22.7522 22.8280 22.8280 k = 0.2391 0.1380 0.3904 ( 672 PWs) bands (ev): -7.6879 -7.6879 4.5068 4.5068 6.2260 6.2260 6.3553 6.3553 10.2895 10.2895 10.5584 10.5584 10.8097 10.8097 11.0937 11.0937 12.8370 12.8370 18.2801 18.2801 22.8339 22.8339 22.9499 22.9499 k = 0.2344 0.1353 0.3827 ( 672 PWs) bands (ev): -7.7138 -7.7138 4.5354 4.5354 6.2775 6.2775 6.3703 6.3703 10.2734 10.2734 10.5553 10.5553 10.7990 10.7990 11.0825 11.0825 12.8306 12.8306 18.1575 18.1575 22.9042 22.9042 23.0886 23.0886 k = 0.2297 0.1326 0.3751 ( 672 PWs) bands (ev): -7.7405 -7.7405 4.5680 4.5680 6.3295 6.3295 6.3871 6.3871 10.2573 10.2573 10.5506 10.5506 10.7875 10.7875 11.0705 11.0705 12.8206 12.8206 18.0351 18.0351 22.9742 22.9742 23.2331 23.2331 k = 0.2250 0.1299 0.3674 ( 672 PWs) bands (ev): -7.7680 -7.7680 4.6045 4.6045 6.3818 6.3818 6.4056 6.4056 10.2411 10.2411 10.5445 10.5445 10.7752 10.7752 11.0579 11.0579 12.8069 12.8069 17.9129 17.9129 23.0462 23.0462 23.3812 23.3812 k = 0.2203 0.1272 0.3598 ( 664 PWs) bands (ev): -7.7961 -7.7961 4.6449 4.6449 6.4253 6.4253 6.4353 6.4353 10.2250 10.2250 10.5372 10.5372 10.7624 10.7624 11.0445 11.0445 12.7896 12.7896 17.7910 17.7910 23.1208 23.1208 23.5322 23.5322 k = 0.2156 0.1245 0.3521 ( 664 PWs) bands (ev): -7.8249 -7.8249 4.6891 4.6891 6.4474 6.4474 6.4880 6.4880 10.2088 10.2088 10.5284 10.5284 10.7486 10.7486 11.0303 11.0303 12.7686 12.7686 17.6692 17.6692 23.1984 23.1984 23.6859 23.6859 k = 0.2109 0.1218 0.3445 ( 664 PWs) bands (ev): -7.8543 -7.8543 4.7371 4.7371 6.4709 6.4709 6.5414 6.5414 10.1927 10.1927 10.5185 10.5185 10.7340 10.7340 11.0154 11.0154 12.7441 12.7441 17.5475 17.5475 23.2791 23.2791 23.8423 23.8423 k = 0.2062 0.1191 0.3368 ( 664 PWs) bands (ev): -7.8842 -7.8842 4.7887 4.7887 6.4960 6.4960 6.5952 6.5952 10.1765 10.1765 10.5074 10.5074 10.7187 10.7187 10.9997 10.9997 12.7160 12.7160 17.4259 17.4259 23.3629 23.3629 24.0012 24.0012 k = 0.2016 0.1164 0.3292 ( 660 PWs) bands (ev): -7.9146 -7.9146 4.8440 4.8440 6.5228 6.5228 6.6492 6.6492 10.1604 10.1604 10.4954 10.4954 10.7027 10.7027 10.9832 10.9832 12.6847 12.6847 17.3044 17.3044 23.4499 23.4499 24.1626 24.1626 k = 0.1969 0.1137 0.3215 ( 660 PWs) bands (ev): -7.9453 -7.9453 4.9028 4.9028 6.5512 6.5512 6.7034 6.7034 10.1444 10.1444 10.4822 10.4822 10.6859 10.6859 10.9660 10.9660 12.6499 12.6499 17.1829 17.1829 23.5402 23.5402 24.3264 24.3264 k = 0.1922 0.1110 0.3138 ( 666 PWs) bands (ev): -7.9765 -7.9765 4.9650 4.9650 6.5811 6.5811 6.7578 6.7578 10.1284 10.1284 10.4679 10.4679 10.6682 10.6682 10.9481 10.9481 12.6117 12.6117 17.0613 17.0613 23.6337 23.6337 24.4925 24.4925 k = 0.1875 0.1083 0.3062 ( 666 PWs) bands (ev): -8.0078 -8.0078 5.0305 5.0305 6.6127 6.6127 6.8124 6.8124 10.1125 10.1125 10.4529 10.4529 10.6500 10.6500 10.9296 10.9296 12.5705 12.5705 16.9397 16.9397 23.7306 23.7306 24.6611 24.6611 k = 0.1828 0.1055 0.2985 ( 666 PWs) bands (ev): -8.0394 -8.0394 5.0994 5.0994 6.6460 6.6460 6.8671 6.8671 10.0968 10.0968 10.4370 10.4370 10.6311 10.6311 10.9106 10.9106 12.5262 12.5262 16.8181 16.8181 23.8309 23.8309 24.8318 24.8318 k = 0.1781 0.1028 0.2909 ( 662 PWs) bands (ev): -8.0712 -8.0712 5.1714 5.1714 6.6809 6.6809 6.9220 6.9220 10.0813 10.0813 10.4205 10.4205 10.6117 10.6117 10.8911 10.8911 12.4791 12.4791 16.6964 16.6964 23.9344 23.9344 25.0048 25.0048 k = 0.1734 0.1001 0.2832 ( 662 PWs) bands (ev): -8.1030 -8.1030 5.2465 5.2465 6.7173 6.7173 6.9768 6.9768 10.0658 10.0658 10.4030 10.4030 10.5915 10.5915 10.8711 10.8711 12.4290 12.4290 16.5745 16.5745 24.0413 24.0413 25.1798 25.1798 k = 0.1688 0.0974 0.2756 ( 662 PWs) bands (ev): -8.1348 -8.1348 5.3245 5.3245 6.7553 6.7553 7.0317 7.0317 10.0505 10.0505 10.3848 10.3848 10.5707 10.5707 10.8507 10.8507 12.3763 12.3763 16.4526 16.4526 24.1516 24.1516 25.3568 25.3568 k = 0.1641 0.0947 0.2679 ( 662 PWs) bands (ev): -8.1666 -8.1666 5.4054 5.4054 6.7948 6.7948 7.0865 7.0865 10.0353 10.0353 10.3660 10.3660 10.5494 10.5494 10.8300 10.8300 12.3209 12.3209 16.3306 16.3306 24.2652 24.2652 25.5357 25.5357 k = 0.1594 0.0920 0.2603 ( 662 PWs) bands (ev): -8.1982 -8.1982 5.4890 5.4890 6.8359 6.8359 7.1413 7.1413 10.0204 10.0204 10.3466 10.3466 10.5274 10.5274 10.8090 10.8090 12.2631 12.2631 16.2085 16.2085 24.3822 24.3822 25.7163 25.7163 k = 0.1547 0.0893 0.2526 ( 668 PWs) bands (ev): -8.2297 -8.2297 5.5753 5.5753 6.8783 6.8783 7.1960 7.1960 10.0056 10.0056 10.3262 10.3262 10.5046 10.5046 10.7878 10.7878 12.2029 12.2029 16.0863 16.0863 24.5025 24.5025 25.8985 25.8985 k = 0.1500 0.0866 0.2449 ( 668 PWs) bands (ev): -8.2609 -8.2609 5.6641 5.6641 6.9223 6.9223 7.2505 7.2505 9.9910 9.9910 10.3056 10.3056 10.4816 10.4816 10.7664 10.7664 12.1406 12.1406 15.9641 15.9641 24.6262 24.6262 26.0822 26.0822 k = 0.1453 0.0839 0.2373 ( 670 PWs) bands (ev): -8.2919 -8.2919 5.7552 5.7552 6.9677 6.9677 7.3048 7.3048 9.9767 9.9767 10.2845 10.2845 10.4581 10.4581 10.7449 10.7449 12.0762 12.0762 15.8420 15.8420 24.7532 24.7532 26.2671 26.2671 k = 0.1406 0.0812 0.2296 ( 670 PWs) bands (ev): -8.3224 -8.3224 5.8487 5.8487 7.0145 7.0145 7.3589 7.3589 9.9627 9.9627 10.2629 10.2629 10.4342 10.4342 10.7233 10.7233 12.0099 12.0099 15.7199 15.7199 24.8834 24.8834 26.4531 26.4531 k = 0.1359 0.0785 0.2220 ( 670 PWs) bands (ev): -8.3526 -8.3526 5.9442 5.9442 7.0627 7.0627 7.4127 7.4127 9.9489 9.9489 10.2410 10.2410 10.4098 10.4098 10.7017 10.7017 11.9418 11.9418 15.5979 15.5979 25.0170 25.0170 26.6399 26.6399 k = 0.1313 0.0758 0.2143 ( 670 PWs) bands (ev): -8.3822 -8.3822 6.0418 6.0418 7.1121 7.1121 7.4662 7.4662 9.9354 9.9354 10.2187 10.2187 10.3852 10.3852 10.6802 10.6802 11.8721 11.8721 15.4762 15.4762 25.1537 25.1537 26.8275 26.8275 k = 0.1266 0.0731 0.2067 ( 670 PWs) bands (ev): -8.4113 -8.4113 6.1411 6.1411 7.1629 7.1629 7.5193 7.5193 9.9221 9.9221 10.1961 10.1961 10.3602 10.3602 10.6586 10.6586 11.8009 11.8009 15.3548 15.3548 25.2937 25.2937 27.0154 27.0154 k = 0.1219 0.0704 0.1990 ( 670 PWs) bands (ev): -8.4399 -8.4399 6.2422 6.2422 7.2148 7.2148 7.5719 7.5719 9.9092 9.9092 10.1732 10.1732 10.3349 10.3349 10.6370 10.6370 11.7284 11.7284 15.2339 15.2339 25.4368 25.4368 27.2035 27.2035 k = 0.1172 0.0677 0.1914 ( 670 PWs) bands (ev): -8.4678 -8.4678 6.3448 6.3448 7.2679 7.2679 7.6241 7.6241 9.8966 9.8966 10.1502 10.1502 10.3095 10.3095 10.6155 10.6155 11.6547 11.6547 15.1135 15.1135 25.5831 25.5831 27.3915 27.3915 k = 0.1125 0.0650 0.1837 ( 668 PWs) bands (ev): -8.4950 -8.4950 6.4487 6.4487 7.3222 7.3222 7.6757 7.6757 9.8843 9.8843 10.1271 10.1271 10.2839 10.2839 10.5939 10.5939 11.5801 11.5801 14.9938 14.9938 25.7324 25.7324 27.5790 27.5790 k = 0.1078 0.0622 0.1761 ( 668 PWs) bands (ev): -8.5214 -8.5214 6.5538 6.5538 7.3774 7.3774 7.7267 7.7267 9.8723 9.8723 10.1038 10.1038 10.2582 10.2582 10.5723 10.5723 11.5045 11.5045 14.8750 14.8750 25.8847 25.8847 27.7657 27.7657 k = 0.1031 0.0595 0.1684 ( 668 PWs) bands (ev): -8.5471 -8.5471 6.6599 6.6599 7.4336 7.4336 7.7770 7.7770 9.8606 9.8606 10.0804 10.0804 10.2325 10.2325 10.5507 10.5507 11.4282 11.4282 14.7573 14.7573 26.0399 26.0399 27.9513 27.9513 k = 0.0984 0.0568 0.1607 ( 676 PWs) bands (ev): -8.5720 -8.5720 6.7667 6.7667 7.4905 7.4905 7.8265 7.8265 9.8490 9.8490 10.0570 10.0570 10.2066 10.2066 10.5290 10.5290 11.3513 11.3513 14.6408 14.6408 26.1980 26.1980 28.1352 28.1352 k = 0.0938 0.0541 0.1531 ( 672 PWs) bands (ev): -8.5960 -8.5960 6.8742 6.8742 7.5484 7.5484 7.8753 7.8753 9.8383 9.8383 10.0337 10.0337 10.1811 10.1811 10.5072 10.5072 11.2742 11.2742 14.5259 14.5259 26.3588 26.3588 28.3172 28.3172 k = 0.0891 0.0514 0.1454 ( 672 PWs) bands (ev): -8.6190 -8.6190 6.9819 6.9819 7.6069 7.6069 7.9231 7.9231 9.8277 9.8277 10.0105 10.0105 10.1557 10.1557 10.4854 10.4854 11.1969 11.1969 14.4127 14.4127 26.5222 26.5222 28.4968 28.4968 k = 0.0844 0.0487 0.1378 ( 672 PWs) bands (ev): -8.6411 -8.6411 7.0897 7.0897 7.6660 7.6660 7.9699 7.9699 9.8173 9.8173 9.9874 9.9874 10.1306 10.1306 10.4634 10.4634 11.1197 11.1197 14.3016 14.3016 26.6882 26.6882 28.6733 28.6733 k = 0.0797 0.0460 0.1301 ( 672 PWs) bands (ev): -8.6622 -8.6622 7.1973 7.1973 7.7255 7.7255 8.0156 8.0156 9.8073 9.8073 9.9644 9.9644 10.1058 10.1058 10.4412 10.4412 11.0427 11.0427 14.1928 14.1928 26.8565 26.8565 28.8463 28.8463 k = 0.0750 0.0433 0.1225 ( 672 PWs) bands (ev): -8.6823 -8.6823 7.3044 7.3044 7.7853 7.7853 8.0601 8.0601 9.7975 9.7975 9.9417 9.9417 10.0814 10.0814 10.4189 10.4189 10.9662 10.9662 14.0868 14.0868 27.0271 27.0271 29.0151 29.0151 k = 0.0703 0.0406 0.1148 ( 672 PWs) bands (ev): -8.7014 -8.7014 7.4106 7.4106 7.8451 7.8451 8.1033 8.1033 9.7881 9.7881 9.9192 9.9192 10.0575 10.0575 10.3964 10.3964 10.8904 10.8904 13.9838 13.9838 27.1996 27.1996 29.1791 29.1791 k = 0.0656 0.0379 0.1072 ( 672 PWs) bands (ev): -8.7194 -8.7194 7.5155 7.5155 7.9047 7.9047 8.1451 8.1451 9.7789 9.7789 9.8971 9.8971 10.0343 10.0343 10.3738 10.3738 10.8157 10.8157 13.8843 13.8843 27.3740 27.3740 29.3377 29.3377 k = 0.0609 0.0352 0.0995 ( 672 PWs) bands (ev): -8.7362 -8.7362 7.6188 7.6188 7.9640 7.9640 8.1853 8.1853 9.7699 9.7699 9.8752 9.8752 10.0116 10.0116 10.3513 10.3513 10.7422 10.7422 13.7887 13.7887 27.5498 27.5498 29.4901 29.4901 k = 0.0563 0.0325 0.0919 ( 672 PWs) bands (ev): -8.7519 -8.7519 7.7199 7.7199 8.0225 8.0225 8.2238 8.2238 9.7611 9.7611 9.8539 9.8539 9.9897 9.9897 10.3286 10.3286 10.6705 10.6705 13.6974 13.6974 27.7268 27.7268 29.6355 29.6355 k = 0.0516 0.0298 0.0842 ( 673 PWs) bands (ev): -8.7664 -8.7664 7.8183 7.8183 8.0800 8.0800 8.2604 8.2604 9.7524 9.7524 9.8330 9.8330 9.9685 9.9685 10.3060 10.3060 10.6010 10.6010 13.6109 13.6109 27.9046 27.9046 29.7731 29.7731 k = 0.0469 0.0271 0.0765 ( 673 PWs) bands (ev): -8.7798 -8.7798 7.9133 7.9133 8.1361 8.1361 8.2950 8.2950 9.7438 9.7438 9.8127 9.8127 9.9484 9.9484 10.2838 10.2838 10.5340 10.5340 13.5297 13.5297 28.0826 28.0826 29.9022 29.9022 k = 0.0422 0.0244 0.0689 ( 669 PWs) bands (ev): -8.7919 -8.7919 8.0043 8.0043 8.1902 8.1902 8.3275 8.3275 9.7353 9.7353 9.7933 9.7933 9.9294 9.9294 10.2622 10.2622 10.4702 10.4702 13.4543 13.4543 28.2603 28.2603 30.0219 30.0219 k = 0.0375 0.0217 0.0612 ( 669 PWs) bands (ev): -8.8028 -8.8028 8.0903 8.0903 8.2419 8.2419 8.3575 8.3575 9.7268 9.7268 9.7746 9.7746 9.9114 9.9114 10.2414 10.2414 10.4100 10.4100 13.3852 13.3852 28.4367 28.4367 30.1314 30.1314 k = 0.0328 0.0189 0.0536 ( 669 PWs) bands (ev): -8.8125 -8.8125 8.1703 8.1703 8.2904 8.2904 8.3850 8.3850 9.7184 9.7184 9.7568 9.7568 9.8949 9.8949 10.2218 10.2218 10.3542 10.3542 13.3228 13.3228 28.6108 28.6108 30.2300 30.2300 k = 0.0281 0.0162 0.0459 ( 663 PWs) bands (ev): -8.8209 -8.8209 8.2432 8.2432 8.3353 8.3353 8.4099 8.4099 9.7104 9.7104 9.7401 9.7401 9.8802 9.8802 10.2040 10.2040 10.3035 10.3035 13.2676 13.2676 28.7810 28.7810 30.3169 30.3169 k = 0.0234 0.0135 0.0383 ( 663 PWs) bands (ev): -8.8280 -8.8280 8.3071 8.3071 8.3759 8.3759 8.4320 8.4320 9.7026 9.7026 9.7245 9.7245 9.8673 9.8673 10.1880 10.1880 10.2586 10.2586 13.2201 13.2201 28.9450 28.9450 30.3913 30.3913 k = 0.0187 0.0108 0.0306 ( 655 PWs) bands (ev): -8.8339 -8.8339 8.3602 8.3602 8.4120 8.4120 8.4514 8.4514 9.6959 9.6959 9.7106 9.7106 9.8566 9.8566 10.1745 10.1745 10.2205 10.2205 13.1807 13.1807 29.0994 29.0994 30.4525 30.4525 k = 0.0141 0.0081 0.0230 ( 651 PWs) bands (ev): -8.8384 -8.8384 8.3999 8.3999 8.4435 8.4435 8.4679 8.4679 9.6900 9.6900 9.6987 9.6987 9.8481 9.8481 10.1635 10.1635 10.1900 10.1900 13.1496 13.1496 29.2387 29.2387 30.4995 30.4996 k = 0.0094 0.0054 0.0153 ( 645 PWs) bands (ev): -8.8417 -8.8417 8.4257 8.4257 8.4694 8.4694 8.4810 8.4810 9.6856 9.6856 9.6897 9.6897 9.8422 9.8422 10.1556 10.1556 10.1674 10.1674 13.1272 13.1272 29.3543 29.3543 30.5312 30.5312 k = 0.0047 0.0027 0.0077 ( 645 PWs) bands (ev): -8.8436 -8.8436 8.4394 8.4394 8.4867 8.4867 8.4897 8.4897 9.6827 9.6827 9.6838 9.6838 9.8384 9.8384 10.1507 10.1507 10.1537 10.1537 13.1137 13.1137 29.4335 29.4335 30.5468 30.5469 k = 0.0000 0.0000 0.0000 ( 645 PWs) bands (ev): -8.8443 -8.8443 8.4437 8.4437 8.4927 8.4927 8.4927 8.4927 9.6817 9.6817 9.6817 9.6817 9.8372 9.8372 10.1490 10.1490 10.1490 10.1490 13.1092 13.1092 29.4622 29.4622 30.5506 30.5506 k = 0.0000 0.0000 0.0000 ( 645 PWs) bands (ev): -8.8443 -8.8443 8.4437 8.4437 8.4927 8.4927 8.4927 8.4927 9.6817 9.6817 9.6817 9.6817 9.8372 9.8372 10.1490 10.1490 10.1490 10.1490 13.1092 13.1092 29.4622 29.4622 30.5506 30.5506 k = 0.0077 0.0044 0.0031 ( 645 PWs) bands (ev): -8.8436 -8.8436 8.4394 8.4394 8.4872 8.4872 8.4890 8.4890 9.6832 9.6832 9.6833 9.6833 9.8384 9.8384 10.1520 10.1520 10.1524 10.1524 13.1138 13.1138 29.4332 29.4332 30.5490 30.5492 k = 0.0154 0.0089 0.0063 ( 645 PWs) bands (ev): -8.8417 -8.8417 8.4262 8.4262 8.4714 8.4714 8.4779 8.4779 9.6877 9.6877 9.6877 9.6877 9.8422 9.8422 10.1607 10.1607 10.1627 10.1627 13.1274 13.1274 29.3526 29.3526 30.5442 30.5443 k = 0.0231 0.0133 0.0094 ( 658 PWs) bands (ev): -8.8384 -8.8384 8.4027 8.4027 8.4473 8.4473 8.4597 8.4597 9.6942 9.6942 9.6944 9.6944 9.8479 9.8479 10.1750 10.1750 10.1793 10.1793 13.1500 13.1500 29.2340 29.2340 30.5361 30.5361 k = 0.0308 0.0178 0.0126 ( 658 PWs) bands (ev): -8.8338 -8.8338 8.3673 8.3673 8.4180 8.4180 8.4352 8.4352 9.7032 9.7032 9.7035 9.7035 9.8562 9.8562 10.1953 10.1953 10.2024 10.2024 13.1812 13.1812 29.0897 29.0897 30.5245 30.5245 k = 0.0385 0.0222 0.0157 ( 658 PWs) bands (ev): -8.8279 -8.8279 8.3194 8.3194 8.3854 8.3854 8.4048 8.4048 9.7135 9.7135 9.7142 9.7142 9.8666 9.8666 10.2211 10.2211 10.2313 10.2313 13.2207 13.2207 28.9282 28.9282 30.5090 30.5091 k = 0.0462 0.0266 0.0188 ( 658 PWs) bands (ev): -8.8206 -8.8206 8.2605 8.2605 8.3499 8.3499 8.3694 8.3694 9.7248 9.7248 9.7261 9.7261 9.8788 9.8788 10.2522 10.2522 10.2657 10.2657 13.2682 13.2682 28.7551 28.7551 30.4894 30.4894 k = 0.0538 0.0311 0.0220 ( 664 PWs) bands (ev): -8.8122 -8.8122 8.1923 8.1923 8.3110 8.3110 8.3297 8.3297 9.7364 9.7364 9.7386 9.7386 9.8923 9.8923 10.2882 10.2882 10.3048 10.3048 13.3231 13.3231 28.5738 28.5738 30.4653 30.4653 k = 0.0615 0.0355 0.0251 ( 664 PWs) bands (ev): -8.8024 -8.8024 8.1165 8.1165 8.2691 8.2691 8.2862 8.2862 9.7484 9.7484 9.7517 9.7517 9.9072 9.9072 10.3288 10.3288 10.3483 10.3483 13.3849 13.3849 28.3868 28.3868 30.4374 30.4416 k = 0.0692 0.0400 0.0283 ( 664 PWs) bands (ev): -8.7914 -8.7914 8.0340 8.0340 8.2243 8.2243 8.2397 8.2397 9.7607 9.7607 9.7651 9.7651 9.9232 9.9232 10.3734 10.3734 10.3956 10.3956 13.4532 13.4532 28.1956 28.1956 30.4000 30.4001 k = 0.0769 0.0444 0.0314 ( 667 PWs) bands (ev): -8.7791 -8.7791 7.9459 7.9459 8.1771 8.1771 8.1906 8.1906 9.7729 9.7729 9.7785 9.7785 9.9398 9.9398 10.4216 10.4216 10.4462 10.4462 13.5273 13.5273 28.0014 28.0014 30.3516 30.3519 k = 0.0846 0.0489 0.0345 ( 673 PWs) bands (ev): -8.7656 -8.7656 7.8528 7.8528 8.1278 8.1278 8.1395 8.1395 9.7853 9.7853 9.7922 9.7922 9.9568 9.9568 10.4729 10.4729 10.4995 10.4995 13.6067 13.6067 27.8052 27.8052 30.2962 30.2963 k = 0.0923 0.0533 0.0377 ( 673 PWs) bands (ev): -8.7509 -8.7509 7.7556 7.7556 8.0768 8.0768 8.0868 8.0868 9.7980 9.7980 9.8061 9.8061 9.9743 9.9743 10.5270 10.5270 10.5552 10.5552 13.6909 13.6909 27.6077 27.6077 30.2336 30.2337 k = 0.1000 0.0577 0.0408 ( 673 PWs) bands (ev): -8.7350 -8.7350 7.6547 7.6547 8.0245 8.0245 8.0328 8.0328 9.8110 9.8110 9.8203 9.8203 9.9921 9.9921 10.5834 10.5834 10.6130 10.6130 13.7795 13.7795 27.4094 27.4094 30.1637 30.1637 k = 0.1077 0.0622 0.0440 ( 667 PWs) bands (ev): -8.7179 -8.7179 7.5507 7.5507 7.9711 7.9711 7.9779 7.9779 9.8245 9.8245 9.8348 9.8348 10.0102 10.0102 10.6418 10.6418 10.6725 10.6725 13.8718 13.8718 27.2109 27.2109 30.0866 30.0866 k = 0.1154 0.0666 0.0471 ( 667 PWs) bands (ev): -8.6998 -8.6998 7.4441 7.4441 7.9169 7.9169 7.9222 7.9222 9.8381 9.8381 9.8494 9.8494 10.0282 10.0282 10.7016 10.7016 10.7334 10.7334 13.9674 13.9674 27.0125 27.0125 30.0024 30.0024 k = 0.1231 0.0711 0.0502 ( 667 PWs) bands (ev): -8.6805 -8.6805 7.3352 7.3352 7.8620 7.8620 7.8661 7.8661 9.8521 9.8521 9.8644 9.8644 10.0463 10.0463 10.7628 10.7628 10.7954 10.7954 14.0659 14.0659 26.8146 26.8146 29.9115 29.9115 k = 0.1308 0.0755 0.0534 ( 667 PWs) bands (ev): -8.6601 -8.6601 7.2245 7.2245 7.8069 7.8069 7.8097 7.8097 9.8665 9.8665 9.8796 9.8796 10.0645 10.0645 10.8251 10.8251 10.8583 10.8583 14.1668 14.1668 26.6175 26.6175 29.8144 29.8144 k = 0.1385 0.0799 0.0565 ( 667 PWs) bands (ev): -8.6387 -8.6387 7.1122 7.1122 7.7515 7.7515 7.7532 7.7532 9.8813 9.8813 9.8952 9.8952 10.0829 10.0829 10.8881 10.8881 10.9218 10.9218 14.2697 14.2697 26.4215 26.4215 29.7115 29.7116 k = 0.1462 0.0844 0.0597 ( 667 PWs) bands (ev): -8.6162 -8.6162 6.9988 6.9988 7.6960 7.6960 7.6967 7.6967 9.8966 9.8966 9.9111 9.9111 10.1014 10.1014 10.9518 10.9518 10.9859 10.9859 14.3744 14.3744 26.2269 26.2269 29.6035 29.6036 k = 0.1538 0.0888 0.0628 ( 667 PWs) bands (ev): -8.5928 -8.5928 6.8844 6.8844 7.6404 7.6404 7.6407 7.6407 9.9123 9.9123 9.9274 9.9274 10.1200 10.1200 11.0159 11.0159 11.0503 11.0503 14.4803 14.4803 26.0338 26.0338 29.4910 29.4910 k = 0.1615 0.0933 0.0659 ( 661 PWs) bands (ev): -8.5685 -8.5685 6.7693 6.7693 7.5846 7.5846 7.5857 7.5857 9.9286 9.9286 9.9442 9.9442 10.1389 10.1389 11.0803 11.0803 11.1150 11.1150 14.5873 14.5873 25.8426 25.8426 29.3747 29.3748 k = 0.1692 0.0977 0.0691 ( 661 PWs) bands (ev): -8.5433 -8.5433 6.6538 6.6538 7.5290 7.5290 7.5309 7.5309 9.9452 9.9452 9.9612 9.9612 10.1579 10.1579 11.1448 11.1448 11.1797 11.1797 14.6949 14.6949 25.6534 25.6534 29.2551 29.2551 k = 0.1769 0.1021 0.0722 ( 661 PWs) bands (ev): -8.5172 -8.5172 6.5380 6.5380 7.4739 7.4739 7.4765 7.4765 9.9622 9.9622 9.9785 9.9785 10.1773 10.1773 11.2093 11.2093 11.2443 11.2443 14.8028 14.8028 25.4664 25.4664 29.1329 29.1329 k = 0.1846 0.1066 0.0754 ( 661 PWs) bands (ev): -8.4903 -8.4903 6.4223 6.4223 7.4194 7.4194 7.4227 7.4227 9.9796 9.9796 9.9961 9.9961 10.1969 10.1969 11.2736 11.2736 11.3088 11.3088 14.9109 14.9109 25.2818 25.2818 29.0086 29.0086 k = 0.1923 0.1110 0.0785 ( 661 PWs) bands (ev): -8.4626 -8.4626 6.3067 6.3067 7.3655 7.3655 7.3694 7.3694 9.9973 9.9973 10.0140 10.0140 10.2168 10.2168 11.3377 11.3377 11.3729 11.3729 15.0187 15.0187 25.0998 25.0998 28.8828 28.8828 k = 0.2000 0.1155 0.0816 ( 661 PWs) bands (ev): -8.4342 -8.4342 6.1915 6.1915 7.3123 7.3123 7.3168 7.3168 10.0155 10.0155 10.0322 10.0322 10.2370 10.2370 11.4015 11.4015 11.4367 11.4367 15.1261 15.1261 24.9207 24.9207 28.7559 28.7560 k = 0.2077 0.1199 0.0848 ( 661 PWs) bands (ev): -8.4052 -8.4052 6.0768 6.0768 7.2600 7.2600 7.2650 7.2650 10.0339 10.0339 10.0506 10.0506 10.2575 10.2575 11.4649 11.4649 11.5001 11.5001 15.2328 15.2328 24.7445 24.7445 28.6285 28.6285 k = 0.2154 0.1244 0.0879 ( 661 PWs) bands (ev): -8.3756 -8.3756 5.9628 5.9628 7.2085 7.2085 7.2140 7.2140 10.0526 10.0526 10.0692 10.0692 10.2783 10.2783 11.5277 11.5277 11.5628 11.5628 15.3384 15.3384 24.5716 24.5716 28.5008 28.5008 k = 0.2231 0.1288 0.0911 ( 661 PWs) bands (ev): -8.3454 -8.3454 5.8497 5.8497 7.1579 7.1579 7.1638 7.1638 10.0716 10.0716 10.0881 10.0881 10.2995 10.2995 11.5899 11.5899 11.6250 11.6250 15.4429 15.4429 24.4020 24.4020 28.3734 28.3734 k = 0.2308 0.1332 0.0942 ( 658 PWs) bands (ev): -8.3147 -8.3147 5.7376 5.7376 7.1082 7.1082 7.1146 7.1146 10.0909 10.0909 10.1070 10.1070 10.3214 10.3214 11.6514 11.6514 11.6865 11.6865 15.5459 15.5459 24.2360 24.2360 28.2465 28.2465 k = 0.2385 0.1377 0.0974 ( 664 PWs) bands (ev): -8.2837 -8.2837 5.6266 5.6266 7.0595 7.0595 7.0663 7.0663 10.1101 10.1101 10.1260 10.1260 10.3432 10.3432 11.7120 11.7120 11.7470 11.7470 15.6472 15.6472 24.0736 24.0736 28.1205 28.1205 k = 0.2462 0.1421 0.1005 ( 664 PWs) bands (ev): -8.2522 -8.2522 5.5170 5.5170 7.0119 7.0119 7.0190 7.0190 10.1296 10.1296 10.1451 10.1451 10.3653 10.3653 11.7719 11.7719 11.8068 11.8068 15.7466 15.7466 23.9153 23.9153 27.9955 27.9955 k = 0.2538 0.1466 0.1036 ( 664 PWs) bands (ev): -8.2205 -8.2205 5.4089 5.4089 6.9653 6.9653 6.9728 6.9728 10.1493 10.1493 10.1644 10.1644 10.3878 10.3878 11.8309 11.8309 11.8657 11.8657 15.8438 15.8438 23.7610 23.7610 27.8721 27.8721 k = 0.2615 0.1510 0.1068 ( 664 PWs) bands (ev): -8.1885 -8.1885 5.3023 5.3023 6.9198 6.9198 6.9276 6.9276 10.1690 10.1690 10.1836 10.1836 10.4106 10.4106 11.8889 11.8889 11.9236 11.9236 15.9386 15.9386 23.6110 23.6110 27.7502 27.7502 k = 0.2692 0.1554 0.1099 ( 664 PWs) bands (ev): -8.1563 -8.1563 5.1974 5.1974 6.8755 6.8755 6.8836 6.8836 10.1887 10.1887 10.2028 10.2028 10.4336 10.4336 11.9459 11.9459 11.9805 11.9805 16.0309 16.0309 23.4655 23.4655 27.6303 27.6303 k = 0.2769 0.1599 0.1131 ( 664 PWs) bands (ev): -8.1241 -8.1241 5.0944 5.0944 6.8324 6.8324 6.8408 6.8408 10.2084 10.2084 10.2219 10.2219 10.4568 10.4568 12.0018 12.0018 12.0362 12.0362 16.1203 16.1203 23.3246 23.3246 27.5125 27.5125 k = 0.2846 0.1643 0.1162 ( 661 PWs) bands (ev): -8.0919 -8.0919 4.9935 4.9935 6.7905 6.7905 6.7991 6.7991 10.2281 10.2281 10.2409 10.2409 10.4804 10.4804 12.0566 12.0566 12.0908 12.0908 16.2067 16.2067 23.1886 23.1886 27.3969 27.3969 k = 0.2923 0.1688 0.1193 ( 664 PWs) bands (ev): -8.0597 -8.0597 4.8946 4.8946 6.7499 6.7499 6.7588 6.7588 10.2475 10.2475 10.2596 10.2596 10.5035 10.5035 12.1101 12.1101 12.1442 12.1442 16.2898 16.2898 23.0576 23.0576 27.2838 27.2838 k = 0.3000 0.1732 0.1225 ( 664 PWs) bands (ev): -8.0277 -8.0277 4.7979 4.7979 6.7105 6.7105 6.7196 6.7196 10.2669 10.2669 10.2782 10.2782 10.5273 10.5273 12.1623 12.1623 12.1962 12.1962 16.3696 16.3696 22.9317 22.9317 27.1734 27.1734 k = 0.3077 0.1776 0.1256 ( 664 PWs) bands (ev): -7.9959 -7.9959 4.7036 4.7036 6.6724 6.6724 6.6817 6.6817 10.2860 10.2860 10.2966 10.2966 10.5510 10.5510 12.2131 12.2131 12.2468 12.2468 16.4458 16.4458 22.8111 22.8111 27.0658 27.0658 k = 0.3154 0.1821 0.1288 ( 658 PWs) bands (ev): -7.9645 -7.9645 4.6118 4.6118 6.6357 6.6357 6.6452 6.6452 10.3050 10.3050 10.3147 10.3147 10.5749 10.5749 12.2626 12.2626 12.2962 12.2962 16.5183 16.5183 22.6960 22.6960 26.9611 26.9612 k = 0.3231 0.1865 0.1319 ( 658 PWs) bands (ev): -7.9334 -7.9334 4.5226 4.5226 6.6003 6.6003 6.6100 6.6100 10.3236 10.3236 10.3325 10.3325 10.5987 10.5987 12.3106 12.3106 12.3440 12.3440 16.5869 16.5869 22.5864 22.5864 26.8596 26.8596 k = 0.3308 0.1910 0.1350 ( 658 PWs) bands (ev): -7.9028 -7.9028 4.4361 4.4361 6.5662 6.5662 6.5760 6.5760 10.3418 10.3418 10.3498 10.3498 10.6224 10.6224 12.3570 12.3570 12.3902 12.3902 16.6515 16.6515 22.4825 22.4825 26.7613 26.7614 k = 0.3385 0.1954 0.1382 ( 658 PWs) bands (ev): -7.8727 -7.8727 4.3525 4.3525 6.5335 6.5335 6.5435 6.5435 10.3595 10.3595 10.3667 10.3667 10.6459 10.6459 12.4018 12.4018 12.4349 12.4349 16.7120 16.7120 22.3844 22.3844 26.6665 26.6665 k = 0.3462 0.1999 0.1413 ( 658 PWs) bands (ev): -7.8433 -7.8433 4.2718 4.2718 6.5022 6.5022 6.5123 6.5123 10.3768 10.3768 10.3832 10.3832 10.6691 10.6691 12.4450 12.4450 12.4779 12.4779 16.7684 16.7684 22.2921 22.2921 26.5751 26.5751 k = 0.3538 0.2043 0.1445 ( 664 PWs) bands (ev): -7.8147 -7.8147 4.1942 4.1942 6.4723 6.4723 6.4825 6.4825 10.3935 10.3935 10.3991 10.3991 10.6919 10.6919 12.4864 12.4864 12.5191 12.5191 16.8205 16.8205 22.2055 22.2055 26.4873 26.4873 k = 0.3615 0.2087 0.1476 ( 664 PWs) bands (ev): -7.7868 -7.7868 4.1198 4.1198 6.4438 6.4438 6.4542 6.4542 10.4098 10.4098 10.4145 10.4145 10.7144 10.7144 12.5262 12.5262 12.5587 12.5587 16.8685 16.8685 22.1249 22.1249 26.4033 26.4034 k = 0.3692 0.2132 0.1507 ( 664 PWs) bands (ev): -7.7599 -7.7599 4.0487 4.0487 6.4168 6.4168 6.4273 6.4273 10.4254 10.4254 10.4293 10.4293 10.7365 10.7365 12.5641 12.5641 12.5965 12.5965 16.9122 16.9122 22.0501 22.0501 26.3232 26.3233 k = 0.3769 0.2176 0.1539 ( 664 PWs) bands (ev): -7.7340 -7.7340 3.9810 3.9810 6.3913 6.3913 6.4019 6.4019 10.4404 10.4404 10.4435 10.4435 10.7580 10.7580 12.6002 12.6002 12.6324 12.6324 16.9519 16.9519 21.9810 21.9810 26.2471 26.2471 k = 0.3846 0.2221 0.1570 ( 664 PWs) bands (ev): -7.7091 -7.7091 3.9168 3.9168 6.3672 6.3672 6.3780 6.3780 10.4547 10.4547 10.4570 10.4570 10.7788 10.7788 12.6344 12.6344 12.6664 12.6664 16.9875 16.9875 21.9177 21.9177 26.1750 26.1750 k = 0.3923 0.2265 0.1602 ( 664 PWs) bands (ev): -7.6854 -7.6854 3.8562 3.8562 6.3447 6.3447 6.3555 6.3555 10.4683 10.4683 10.4699 10.4699 10.7988 10.7988 12.6667 12.6667 12.6985 12.6985 17.0193 17.0193 21.8598 21.8598 26.1071 26.1071 k = 0.4000 0.2309 0.1633 ( 664 PWs) bands (ev): -7.6629 -7.6629 3.7993 3.7993 6.3236 6.3236 6.3345 6.3345 10.4811 10.4811 10.4820 10.4820 10.8180 10.8180 12.6970 12.6970 12.7286 12.7286 17.0474 17.0474 21.8074 21.8074 26.0435 26.0435 k = 0.4077 0.2354 0.1664 ( 667 PWs) bands (ev): -7.6417 -7.6417 3.7463 3.7463 6.3040 6.3040 6.3150 6.3150 10.4931 10.4931 10.4934 10.4934 10.8363 10.8363 12.7251 12.7251 12.7567 12.7567 17.0720 17.0720 21.7601 21.7601 25.9842 25.9842 k = 0.4154 0.2398 0.1696 ( 667 PWs) bands (ev): -7.6220 -7.6220 3.6971 3.6971 6.2860 6.2860 6.2970 6.2970 10.5039 10.5039 10.5043 10.5043 10.8535 10.8535 12.7512 12.7512 12.7826 12.7826 17.0934 17.0934 21.7178 21.7178 25.9293 25.9294 k = 0.4231 0.2443 0.1727 ( 667 PWs) bands (ev): -7.6037 -7.6037 3.6519 3.6519 6.2695 6.2695 6.2806 6.2806 10.5137 10.5137 10.5146 10.5146 10.8696 10.8696 12.7752 12.7752 12.8065 12.8065 17.1117 17.1117 21.6803 21.6803 25.8790 25.8790 k = 0.4308 0.2487 0.1759 ( 667 PWs) bands (ev): -7.5869 -7.5869 3.6107 3.6107 6.2546 6.2546 6.2658 6.2658 10.5226 10.5226 10.5240 10.5240 10.8845 10.8845 12.7971 12.7971 12.8282 12.8282 17.1272 17.1272 21.6472 21.6472 25.8332 25.8332 k = 0.4385 0.2531 0.1790 ( 667 PWs) bands (ev): -7.5717 -7.5717 3.5737 3.5737 6.2412 6.2412 6.2524 6.2524 10.5306 10.5306 10.5325 10.5325 10.8980 10.8980 12.8167 12.8167 12.8478 12.8478 17.1402 17.1402 21.6185 21.6185 25.7921 25.7921 k = 0.4462 0.2576 0.1821 ( 670 PWs) bands (ev): -7.5581 -7.5581 3.5408 3.5408 6.2294 6.2294 6.2406 6.2406 10.5377 10.5377 10.5401 10.5401 10.9100 10.9100 12.8341 12.8341 12.8651 12.8651 17.1510 17.1510 21.5937 21.5937 25.7556 25.7556 k = 0.4538 0.2620 0.1853 ( 670 PWs) bands (ev): -7.5463 -7.5463 3.5123 3.5123 6.2191 6.2191 6.2304 6.2304 10.5440 10.5440 10.5467 10.5467 10.9207 10.9207 12.8493 12.8493 12.8801 12.8801 17.1598 17.1598 21.5729 21.5729 25.7239 25.7239 k = 0.4615 0.2665 0.1884 ( 670 PWs) bands (ev): -7.5362 -7.5362 3.4880 3.4880 6.2105 6.2105 6.2218 6.2218 10.5493 10.5493 10.5523 10.5523 10.9299 10.9299 12.8621 12.8621 12.8929 12.8929 17.1667 17.1667 21.5556 21.5556 25.6970 25.6970 k = 0.4692 0.2709 0.1916 ( 670 PWs) bands (ev): -7.5279 -7.5279 3.4681 3.4681 6.2033 6.2033 6.2147 6.2147 10.5536 10.5536 10.5569 10.5569 10.9375 10.9375 12.8727 12.8727 12.9034 12.9034 17.1721 17.1721 21.5418 21.5418 25.6750 25.6750 k = 0.4769 0.2754 0.1947 ( 670 PWs) bands (ev): -7.5213 -7.5213 3.4525 3.4525 6.1978 6.1978 6.2092 6.2092 10.5570 10.5570 10.5605 10.5605 10.9435 10.9435 12.8809 12.8809 12.9116 12.9116 17.1762 17.1762 21.5312 21.5312 25.6578 25.6578 k = 0.4846 0.2798 0.1978 ( 670 PWs) bands (ev): -7.5167 -7.5167 3.4414 3.4414 6.1939 6.1939 6.2052 6.2052 10.5595 10.5595 10.5631 10.5631 10.9478 10.9478 12.8868 12.8868 12.9175 12.9175 17.1789 17.1789 21.5237 21.5237 25.6455 25.6455 k = 0.4923 0.2842 0.2010 ( 652 PWs) bands (ev): -7.5138 -7.5138 3.4347 3.4347 6.1918 6.1918 6.2032 6.2032 10.5616 10.5616 10.5652 10.5652 10.9504 10.9504 12.8906 12.8906 12.9212 12.9212 17.1805 17.1805 21.5194 21.5194 25.6382 25.6382 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -7.5129 -7.5129 3.4325 3.4325 6.1910 6.1910 6.2024 6.2024 10.5621 10.5621 10.5658 10.5658 10.9513 10.9513 12.8918 12.8918 12.9224 12.9224 17.1811 17.1811 21.5179 21.5179 25.6357 25.6357 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -7.5129 -7.5129 3.4325 3.4325 6.1910 6.1910 6.2024 6.2024 10.5621 10.5621 10.5658 10.5658 10.9513 10.9513 12.8918 12.8918 12.9224 12.9224 17.1811 17.1811 21.5179 21.5179 25.6357 25.6357 k = 0.5027 0.2808 0.2086 ( 654 PWs) bands (ev): -7.5128 -7.5128 3.4336 3.4336 6.1907 6.1907 6.2021 6.2021 10.5618 10.5618 10.5655 10.5655 10.9510 10.9510 12.8899 12.8899 12.9207 12.9207 17.1856 17.1856 21.5170 21.5170 25.6330 25.6330 k = 0.5054 0.2730 0.2130 ( 668 PWs) bands (ev): -7.5123 -7.5123 3.4369 3.4369 6.1897 6.1897 6.2016 6.2016 10.5605 10.5605 10.5646 10.5646 10.9502 10.9502 12.8839 12.8839 12.9157 12.9157 17.1990 17.1990 21.5141 21.5141 25.6238 25.6238 k = 0.5082 0.2651 0.2174 ( 668 PWs) bands (ev): -7.5116 -7.5116 3.4424 3.4424 6.1878 6.1878 6.2015 6.2015 10.5588 10.5588 10.5643 10.5643 10.9491 10.9491 12.8733 12.8733 12.9089 12.9089 17.2213 17.2213 21.5094 21.5094 25.6048 25.6048 k = 0.5109 0.2573 0.2219 ( 672 PWs) bands (ev): -7.5105 -7.5105 3.4501 3.4501 6.1844 6.1844 6.2019 6.2019 10.5559 10.5559 10.5640 10.5640 10.9475 10.9475 12.8571 12.8571 12.9008 12.9008 17.2523 17.2523 21.5029 21.5029 25.5722 25.5722 k = 0.5136 0.2495 0.2263 ( 674 PWs) bands (ev): -7.5092 -7.5092 3.4600 3.4600 6.1795 6.1795 6.2033 6.2033 10.5521 10.5521 10.5640 10.5640 10.9455 10.9455 12.8353 12.8353 12.8919 12.8919 17.2915 17.2915 21.4945 21.4945 25.5246 25.5246 k = 0.5163 0.2416 0.2307 ( 674 PWs) bands (ev): -7.5076 -7.5076 3.4721 3.4721 6.1732 6.1732 6.2053 6.2053 10.5474 10.5474 10.5641 10.5641 10.9431 10.9431 12.8084 12.8084 12.8821 12.8821 17.3388 17.3388 21.4843 21.4843 25.4631 25.4631 k = 0.5190 0.2338 0.2352 ( 674 PWs) bands (ev): -7.5057 -7.5057 3.4863 3.4863 6.1655 6.1655 6.2079 6.2079 10.5419 10.5419 10.5643 10.5643 10.9403 10.9403 12.7768 12.7768 12.8711 12.8711 17.3938 17.3938 21.4722 21.4722 25.3894 25.3894 k = 0.5217 0.2259 0.2396 ( 674 PWs) bands (ev): -7.5035 -7.5035 3.5027 3.5027 6.1564 6.1564 6.2110 6.2110 10.5355 10.5355 10.5646 10.5646 10.9372 10.9372 12.7411 12.7411 12.8588 12.8588 17.4559 17.4559 21.4584 21.4584 25.3056 25.3056 k = 0.5245 0.2181 0.2441 ( 674 PWs) bands (ev): -7.5010 -7.5010 3.5212 3.5212 6.1462 6.1462 6.2146 6.2146 10.5284 10.5284 10.5650 10.5650 10.9337 10.9337 12.7017 12.7017 12.8452 12.8452 17.5249 17.5249 21.4427 21.4427 25.2132 25.2132 k = 0.5272 0.2102 0.2485 ( 670 PWs) bands (ev): -7.4983 -7.4983 3.5418 3.5418 6.1347 6.1347 6.2187 6.2187 10.5205 10.5205 10.5655 10.5655 10.9301 10.9301 12.6592 12.6592 12.8304 12.8304 17.6002 17.6002 21.4252 21.4252 25.1139 25.1139 k = 0.5299 0.2024 0.2529 ( 674 PWs) bands (ev): -7.4954 -7.4954 3.5645 3.5645 6.1218 6.1218 6.2232 6.2232 10.5117 10.5117 10.5659 10.5659 10.9261 10.9261 12.6136 12.6136 12.8140 12.8140 17.6813 17.6813 21.4060 21.4060 25.0087 25.0087 k = 0.5326 0.1945 0.2574 ( 674 PWs) bands (ev): -7.4921 -7.4921 3.5892 3.5892 6.1078 6.1078 6.2281 6.2281 10.5023 10.5023 10.5665 10.5665 10.9219 10.9219 12.5658 12.5658 12.7964 12.7964 17.7679 17.7679 21.3850 21.3850 24.8990 24.8990 k = 0.5353 0.1867 0.2618 ( 676 PWs) bands (ev): -7.4887 -7.4887 3.6160 3.6160 6.0926 6.0926 6.2335 6.2335 10.4921 10.4921 10.5671 10.5671 10.9176 10.9176 12.5160 12.5160 12.7774 12.7774 17.8594 17.8594 21.3623 21.3623 24.7856 24.7856 k = 0.5380 0.1789 0.2662 ( 676 PWs) bands (ev): -7.4850 -7.4850 3.6447 3.6447 6.0762 6.0762 6.2392 6.2392 10.4813 10.4813 10.5679 10.5679 10.9131 10.9131 12.4644 12.4644 12.7572 12.7572 17.9555 17.9555 21.3379 21.3379 24.6696 24.6696 k = 0.5408 0.1710 0.2707 ( 676 PWs) bands (ev): -7.4812 -7.4812 3.6754 3.6754 6.0586 6.0586 6.2454 6.2454 10.4698 10.4698 10.5687 10.5687 10.9086 10.9086 12.4115 12.4115 12.7358 12.7358 18.0557 18.0557 21.3118 21.3118 24.5516 24.5516 k = 0.5435 0.1632 0.2751 ( 676 PWs) bands (ev): -7.4771 -7.4771 3.7080 3.7080 6.0398 6.0398 6.2519 6.2519 10.4577 10.4577 10.5697 10.5697 10.9041 10.9041 12.3576 12.3576 12.7132 12.7132 18.1596 18.1596 21.2841 21.2841 24.4326 24.4326 k = 0.5462 0.1553 0.2796 ( 676 PWs) bands (ev): -7.4729 -7.4729 3.7425 3.7425 6.0198 6.0198 6.2589 6.2589 10.4449 10.4449 10.5708 10.5708 10.8996 10.8996 12.3028 12.3028 12.6895 12.6895 18.2668 18.2668 21.2548 21.2548 24.3132 24.3132 k = 0.5489 0.1475 0.2840 ( 675 PWs) bands (ev): -7.4685 -7.4685 3.7788 3.7788 5.9988 5.9988 6.2662 6.2662 10.4315 10.4315 10.5720 10.5720 10.8953 10.8953 12.2476 12.2476 12.6647 12.6647 18.3768 18.3768 21.2241 21.2241 24.1939 24.1939 k = 0.5516 0.1396 0.2884 ( 675 PWs) bands (ev): -7.4639 -7.4639 3.8169 3.8169 5.9766 5.9766 6.2739 6.2739 10.4175 10.4175 10.5733 10.5733 10.8910 10.8910 12.1920 12.1920 12.6388 12.6388 18.4894 18.4894 21.1918 21.1918 24.0753 24.0753 k = 0.5543 0.1318 0.2929 ( 675 PWs) bands (ev): -7.4592 -7.4592 3.8568 3.8568 5.9533 5.9533 6.2820 6.2820 10.4029 10.4029 10.5748 10.5748 10.8869 10.8869 12.1364 12.1364 12.6119 12.6119 18.6040 18.6040 21.1582 21.1582 23.9578 23.9578 k = 0.5571 0.1239 0.2973 ( 675 PWs) bands (ev): -7.4544 -7.4544 3.8983 3.8983 5.9290 5.9290 6.2904 6.2904 10.3877 10.3877 10.5764 10.5764 10.8831 10.8831 12.0810 12.0810 12.5840 12.5840 18.7202 18.7202 21.1234 21.1234 23.8420 23.8420 k = 0.5598 0.1161 0.3017 ( 681 PWs) bands (ev): -7.4496 -7.4496 3.9414 3.9414 5.9036 5.9036 6.2990 6.2990 10.3719 10.3719 10.5780 10.5780 10.8795 10.8795 12.0258 12.0258 12.5551 12.5551 18.8377 18.8377 21.0875 21.0875 23.7282 23.7282 k = 0.5625 0.1083 0.3062 ( 681 PWs) bands (ev): -7.4446 -7.4446 3.9860 3.9860 5.8772 5.8772 6.3081 6.3081 10.3556 10.3556 10.5799 10.5799 10.8763 10.8763 11.9713 11.9713 12.5254 12.5254 18.9558 18.9558 21.0508 21.0508 23.6168 23.6168 k = 0.5652 0.1004 0.3106 ( 681 PWs) bands (ev): -7.4396 -7.4396 4.0322 4.0322 5.8499 5.8499 6.3175 6.3175 10.3387 10.3387 10.5820 10.5820 10.8735 10.8735 11.9175 11.9175 12.4949 12.4949 19.0741 19.0741 21.0135 21.0135 23.5080 23.5080 k = 0.5679 0.0926 0.3151 ( 683 PWs) bands (ev): -7.4346 -7.4346 4.0798 4.0798 5.8217 5.8217 6.3272 6.3272 10.3213 10.3213 10.5841 10.5841 10.8711 10.8711 11.8646 11.8646 12.4636 12.4636 19.1920 19.1920 20.9761 20.9761 23.4021 23.4021 k = 0.5707 0.0847 0.3195 ( 683 PWs) bands (ev): -7.4295 -7.4295 4.1288 4.1288 5.7926 5.7926 6.3373 6.3373 10.3033 10.3033 10.5866 10.5866 10.8691 10.8691 11.8128 11.8128 12.4316 12.4316 19.3086 19.3086 20.9390 20.9390 23.2993 23.2993 k = 0.5734 0.0769 0.3239 ( 682 PWs) bands (ev): -7.4245 -7.4245 4.1790 4.1790 5.7627 5.7627 6.3477 6.3477 10.2848 10.2848 10.5892 10.5892 10.8677 10.8677 11.7623 11.7623 12.3989 12.3989 19.4229 19.4229 20.9032 20.9032 23.2000 23.2000 k = 0.5761 0.0690 0.3284 ( 682 PWs) bands (ev): -7.4195 -7.4195 4.2305 4.2305 5.7321 5.7321 6.3583 6.3583 10.2657 10.2657 10.5920 10.5920 10.8667 10.8667 11.7130 11.7130 12.3656 12.3656 19.5336 19.5336 20.8696 20.8696 23.1041 23.1041 k = 0.5788 0.0612 0.3328 ( 684 PWs) bands (ev): -7.4146 -7.4146 4.2830 4.2830 5.7008 5.7008 6.3693 6.3693 10.2461 10.2461 10.5950 10.5950 10.8660 10.8660 11.6652 11.6652 12.3318 12.3318 19.6390 19.6390 20.8400 20.8400 23.0119 23.0119 k = 0.5815 0.0533 0.3372 ( 685 PWs) bands (ev): -7.4098 -7.4098 4.3366 4.3366 5.6689 5.6689 6.3806 6.3806 10.2259 10.2259 10.5981 10.5981 10.8659 10.8659 11.6191 11.6191 12.2973 12.2973 19.7366 19.7366 20.8165 20.8165 22.9235 22.9235 k = 0.5842 0.0455 0.3417 ( 685 PWs) bands (ev): -7.4050 -7.4050 4.3911 4.3911 5.6365 5.6365 6.3921 6.3921 10.2052 10.2052 10.6015 10.6015 10.8664 10.8664 11.5748 11.5748 12.2624 12.2624 19.8232 19.8232 20.8024 20.8024 22.8388 22.8388 k = 0.5870 0.0377 0.3461 ( 685 PWs) bands (ev): -7.4005 -7.4005 4.4464 4.4464 5.6036 5.6036 6.4040 6.4040 10.1840 10.1840 10.6051 10.6051 10.8672 10.8672 11.5324 11.5324 12.2270 12.2270 19.8948 19.8948 20.8014 20.8014 22.7581 22.7581 k = 0.5897 0.0298 0.3506 ( 685 PWs) bands (ev): -7.3961 -7.3961 4.5024 4.5024 5.5705 5.5705 6.4161 6.4161 10.1623 10.1623 10.6088 10.6088 10.8685 10.8685 11.4921 11.4921 12.1912 12.1912 19.9475 19.9475 20.8173 20.8173 22.6813 22.6813 k = 0.5924 0.0220 0.3550 ( 681 PWs) bands (ev): -7.3919 -7.3919 4.5590 4.5590 5.5372 5.5372 6.4285 6.4285 10.1402 10.1402 10.6129 10.6129 10.8703 10.8703 11.4541 11.4541 12.1551 12.1551 19.9788 19.9788 20.8527 20.8527 22.6085 22.6085 k = 0.5951 0.0141 0.3594 ( 680 PWs) bands (ev): -7.3879 -7.3879 4.6160 4.6160 5.5038 5.5038 6.4411 6.4411 10.1175 10.1175 10.6170 10.6170 10.8723 10.8723 11.4183 11.4183 12.1186 12.1186 19.9888 19.9888 20.9073 20.9073 22.5395 22.5395 k = 0.5978 0.0063 0.3639 ( 681 PWs) bands (ev): -7.3842 -7.3842 4.6731 4.6731 5.4707 5.4707 6.4540 6.4540 10.0945 10.0945 10.6212 10.6212 10.8744 10.8744 11.3849 11.3849 12.0818 12.0818 19.9803 19.9803 20.9782 20.9782 22.4743 22.4743 k = 0.6005-0.0016 0.3683 ( 681 PWs) bands (ev): -7.3808 -7.3808 4.7301 4.7301 5.4380 5.4380 6.4672 6.4672 10.0709 10.0709 10.6256 10.6256 10.8767 10.8767 11.3542 11.3542 12.0448 12.0448 19.9572 19.9572 21.0616 21.0616 22.4129 22.4129 k = 0.6033-0.0094 0.3727 ( 683 PWs) bands (ev): -7.3777 -7.3777 4.7866 4.7866 5.4061 5.4061 6.4807 6.4807 10.0469 10.0469 10.6301 10.6301 10.8790 10.8790 11.3262 11.3262 12.0075 12.0075 19.9233 19.9233 21.1535 21.1535 22.3552 22.3552 k = 0.6060-0.0173 0.3772 ( 683 PWs) bands (ev): -7.3749 -7.3749 4.8420 4.8420 5.3757 5.3757 6.4944 6.4944 10.0226 10.0226 10.6347 10.6347 10.8813 10.8813 11.3012 11.3012 11.9701 11.9701 19.8816 19.8816 21.2511 21.2511 22.3011 22.3011 k = 0.6087-0.0251 0.3816 ( 683 PWs) bands (ev): -7.3726 -7.3726 4.8953 4.8953 5.3477 5.3477 6.5083 6.5083 9.9979 9.9979 10.6394 10.6394 10.8833 10.8833 11.2792 11.2792 11.9326 11.9326 19.8344 19.8344 21.3519 21.3519 22.2507 22.2507 k = 0.6114-0.0329 0.3861 ( 681 PWs) bands (ev): -7.3706 -7.3706 4.9450 4.9450 5.3237 5.3237 6.5226 6.5226 9.9730 9.9730 10.6443 10.6443 10.8851 10.8851 11.2604 11.2604 11.8950 11.8950 19.7833 19.7833 21.4545 21.4545 22.2037 22.2037 k = 0.6141-0.0408 0.3905 ( 679 PWs) bands (ev): -7.3690 -7.3690 4.9881 4.9881 5.3066 5.3066 6.5370 6.5370 9.9478 9.9478 10.6492 10.6492 10.8864 10.8864 11.2448 11.2448 11.8573 11.8573 19.7294 19.7294 21.5575 21.5575 22.1603 22.1603 k = 0.6168-0.0486 0.3949 ( 680 PWs) bands (ev): -7.3679 -7.3679 5.0202 5.0202 5.3009 5.3009 6.5517 6.5517 9.9222 9.9222 10.6540 10.6540 10.8872 10.8872 11.2323 11.2323 11.8196 11.8196 19.6737 19.6737 21.6600 21.6600 22.1204 22.1204 k = 0.6196-0.0565 0.3994 ( 680 PWs) bands (ev): -7.3674 -7.3674 5.0367 5.0367 5.3112 5.3112 6.5667 6.5667 9.8965 9.8965 10.6589 10.6589 10.8875 10.8875 11.2231 11.2231 11.7819 11.7819 19.6167 19.6167 21.7610 21.7610 22.0843 22.0843 k = 0.6223-0.0643 0.4038 ( 682 PWs) bands (ev): -7.3673 -7.3673 5.0368 5.0368 5.3383 5.3383 6.5819 6.5819 9.8706 9.8706 10.6638 10.6638 10.8872 10.8872 11.2170 11.2170 11.7444 11.7444 19.5592 19.5592 21.8587 21.8587 22.0531 22.0531 k = 0.6250-0.0722 0.4082 ( 682 PWs) bands (ev): -7.3678 -7.3678 5.0245 5.0245 5.3782 5.3782 6.5974 6.5974 9.8446 9.8446 10.6686 10.6686 10.8864 10.8864 11.2138 11.2138 11.7069 11.7069 19.5013 19.5013 21.9447 21.9447 22.0350 22.0350 k = 0.6250-0.0722 0.4082 ( 682 PWs) bands (ev): -7.3678 -7.3678 5.0245 5.0245 5.3782 5.3782 6.5974 6.5974 9.8446 9.8446 10.6686 10.6686 10.8864 10.8864 11.2138 11.2138 11.7069 11.7069 19.5013 19.5013 21.9447 21.9447 22.0350 22.0350 k = 0.6204-0.0695 0.4158 ( 682 PWs) bands (ev): -7.3677 -7.3677 5.0251 5.0251 5.3787 5.3787 6.5956 6.5956 9.8459 9.8459 10.6683 10.6683 10.8862 10.8862 11.2128 11.2128 11.7070 11.7070 19.5036 19.5036 21.9455 21.9455 22.0353 22.0353 k = 0.6157-0.0668 0.4234 ( 682 PWs) bands (ev): -7.3674 -7.3674 5.0269 5.0269 5.3800 5.3800 6.5902 6.5902 9.8498 9.8498 10.6676 10.6676 10.8855 10.8855 11.2098 11.2098 11.7073 11.7073 19.5105 19.5105 21.9479 21.9479 22.0361 22.0361 k = 0.6111-0.0642 0.4309 ( 681 PWs) bands (ev): -7.3669 -7.3669 5.0298 5.0298 5.3823 5.3823 6.5812 6.5812 9.8562 9.8562 10.6663 10.6663 10.8842 10.8842 11.2049 11.2049 11.7078 11.7078 19.5218 19.5218 21.9518 21.9518 22.0375 22.0375 k = 0.6065-0.0615 0.4385 ( 679 PWs) bands (ev): -7.3663 -7.3663 5.0340 5.0340 5.3854 5.3854 6.5689 6.5689 9.8652 9.8652 10.6646 10.6646 10.8825 10.8825 11.1982 11.1982 11.7085 11.7085 19.5374 19.5374 21.9574 21.9574 22.0394 22.0394 k = 0.6019-0.0588 0.4460 ( 679 PWs) bands (ev): -7.3655 -7.3655 5.0393 5.0393 5.3895 5.3895 6.5531 6.5531 9.8765 9.8765 10.6622 10.6622 10.8804 10.8804 11.1897 11.1897 11.7092 11.7092 19.5571 19.5571 21.9645 21.9645 22.0419 22.0419 k = 0.5972-0.0561 0.4536 ( 679 PWs) bands (ev): -7.3645 -7.3645 5.0459 5.0459 5.3944 5.3944 6.5340 6.5340 9.8901 9.8901 10.6594 10.6594 10.8778 10.8778 11.1797 11.1797 11.7100 11.7100 19.5806 19.5806 21.9732 21.9732 22.0450 22.0450 k = 0.5926-0.0535 0.4612 ( 676 PWs) bands (ev): -7.3634 -7.3634 5.0536 5.0536 5.4001 5.4001 6.5118 6.5118 9.9060 9.9060 10.6559 10.6559 10.8747 10.8747 11.1684 11.1684 11.7108 11.7108 19.6077 19.6077 21.9834 21.9834 22.0488 22.0488 k = 0.5880-0.0508 0.4687 ( 676 PWs) bands (ev): -7.3621 -7.3621 5.0625 5.0625 5.4066 5.4066 6.4866 6.4866 9.9238 9.9238 10.6519 10.6519 10.8713 10.8713 11.1559 11.1559 11.7116 11.7116 19.6379 19.6379 21.9951 21.9951 22.0534 22.0534 k = 0.5833-0.0481 0.4763 ( 684 PWs) bands (ev): -7.3608 -7.3608 5.0725 5.0725 5.4138 5.4138 6.4585 6.4585 9.9433 9.9433 10.6469 10.6469 10.8673 10.8673 11.1423 11.1423 11.7121 11.7121 19.6708 19.6708 22.0081 22.0081 22.0588 22.0588 k = 0.5787-0.0454 0.4838 ( 684 PWs) bands (ev): -7.3592 -7.3592 5.0837 5.0837 5.4218 5.4218 6.4280 6.4280 9.9647 9.9647 10.6415 10.6415 10.8631 10.8631 11.1282 11.1282 11.7128 11.7128 19.7060 19.7060 22.0220 22.0220 22.0656 22.0656 k = 0.5741-0.0428 0.4914 ( 682 PWs) bands (ev): -7.3576 -7.3576 5.0961 5.0961 5.4304 5.4304 6.3950 6.3950 9.9876 9.9876 10.6355 10.6355 10.8586 10.8586 11.1136 11.1136 11.7134 11.7134 19.7430 19.7430 22.0364 22.0364 22.0742 22.0742 k = 0.5694-0.0401 0.4990 ( 684 PWs) bands (ev): -7.3559 -7.3559 5.1096 5.1096 5.4395 5.4395 6.3599 6.3599 10.0118 10.0118 10.6287 10.6287 10.8538 10.8538 11.0988 11.0988 11.7138 11.7138 19.7813 19.7813 22.0502 22.0502 22.0854 22.0854 k = 0.5648-0.0374 0.5065 ( 680 PWs) bands (ev): -7.3541 -7.3541 5.1243 5.1243 5.4491 5.4491 6.3230 6.3230 10.0374 10.0374 10.6212 10.6212 10.8487 10.8487 11.0841 11.0841 11.7143 11.7143 19.8204 19.8204 22.0626 22.0626 22.1000 22.1000 k = 0.5602-0.0347 0.5141 ( 680 PWs) bands (ev): -7.3523 -7.3523 5.1401 5.1401 5.4591 5.4591 6.2843 6.2843 10.0638 10.0638 10.6127 10.6127 10.8434 10.8434 11.0696 11.0696 11.7144 11.7144 19.8596 19.8596 22.0736 22.0736 22.1179 22.1179 k = 0.5556-0.0321 0.5217 ( 680 PWs) bands (ev): -7.3505 -7.3505 5.1571 5.1571 5.4692 5.4692 6.2444 6.2444 10.0911 10.0911 10.6035 10.6035 10.8379 10.8379 11.0555 11.0555 11.7145 11.7145 19.8986 19.8986 22.0838 22.0838 22.1380 22.1380 k = 0.5509-0.0294 0.5292 ( 680 PWs) bands (ev): -7.3486 -7.3486 5.1751 5.1751 5.4794 5.4794 6.2035 6.2035 10.1189 10.1189 10.5934 10.5934 10.8322 10.8322 11.0421 11.0421 11.7144 11.7144 19.9368 19.9368 22.0938 22.0938 22.1595 22.1595 k = 0.5463-0.0267 0.5368 ( 680 PWs) bands (ev): -7.3468 -7.3468 5.1943 5.1943 5.4894 5.4894 6.1621 6.1621 10.1471 10.1471 10.5824 10.5824 10.8265 10.8265 11.0295 11.0295 11.7143 11.7143 19.9736 19.9736 22.1041 22.1041 22.1815 22.1815 k = 0.5417-0.0241 0.5443 ( 683 PWs) bands (ev): -7.3450 -7.3450 5.2146 5.2146 5.4988 5.4988 6.1206 6.1206 10.1755 10.1755 10.5705 10.5705 10.8208 10.8208 11.0178 11.0178 11.7139 11.7139 20.0086 20.0086 22.1149 22.1149 22.2031 22.2031 k = 0.5370-0.0214 0.5519 ( 681 PWs) bands (ev): -7.3433 -7.3433 5.2360 5.2360 5.5072 5.5072 6.0797 6.0797 10.2039 10.2039 10.5577 10.5577 10.8152 10.8152 11.0075 11.0075 11.7135 11.7135 20.0413 20.0413 22.1262 22.1262 22.2238 22.2238 k = 0.5324-0.0187 0.5595 ( 684 PWs) bands (ev): -7.3417 -7.3417 5.2584 5.2584 5.5141 5.5141 6.0399 6.0399 10.2319 10.2319 10.5439 10.5439 10.8098 10.8098 10.9981 10.9981 11.7130 11.7130 20.0713 20.0713 22.1382 22.1382 22.2424 22.2424 k = 0.5278-0.0160 0.5670 ( 688 PWs) bands (ev): -7.3402 -7.3402 5.2819 5.2819 5.5188 5.5188 6.0023 6.0023 10.2592 10.2592 10.5294 10.5294 10.8048 10.8048 10.9900 10.9900 11.7124 11.7124 20.0983 20.0983 22.1509 22.1509 22.2583 22.2583 k = 0.5231-0.0134 0.5746 ( 686 PWs) bands (ev): -7.3388 -7.3388 5.3065 5.3065 5.5202 5.5202 5.9681 5.9681 10.2860 10.2860 10.5140 10.5140 10.8003 10.8003 10.9833 10.9833 11.7119 11.7119 20.1218 20.1218 22.1643 22.1643 22.2705 22.2705 k = 0.5185-0.0107 0.5821 ( 684 PWs) bands (ev): -7.3376 -7.3376 5.3321 5.3321 5.5172 5.5172 5.9384 5.9384 10.3116 10.3116 10.4982 10.4982 10.7964 10.7964 10.9779 10.9779 11.7115 11.7115 20.1417 20.1417 22.1786 22.1786 22.2782 22.2782 k = 0.5139-0.0080 0.5897 ( 684 PWs) bands (ev): -7.3367 -7.3367 5.3587 5.3587 5.5087 5.5087 5.9145 5.9145 10.3356 10.3356 10.4820 10.4820 10.7932 10.7932 10.9737 10.9737 11.7110 11.7110 20.1575 20.1575 22.1935 22.1935 22.2807 22.2807 k = 0.5093-0.0053 0.5973 ( 684 PWs) bands (ev): -7.3360 -7.3360 5.3863 5.3863 5.4940 5.4940 5.8974 5.8974 10.3570 10.3570 10.4662 10.4662 10.7909 10.7909 10.9708 10.9708 11.7107 11.7107 20.1691 20.1691 22.2089 22.2089 22.2777 22.2777 k = 0.5046-0.0027 0.6048 ( 684 PWs) bands (ev): -7.3355 -7.3355 5.4147 5.4147 5.4729 5.4729 5.8874 5.8874 10.3737 10.3737 10.4529 10.4529 10.7894 10.7894 10.9690 10.9690 11.7105 11.7105 20.1762 20.1762 22.2239 22.2239 22.2701 22.2701 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -7.3353 -7.3353 5.4392 5.4392 5.4507 5.4507 5.8843 5.8843 10.3806 10.3806 10.4471 10.4471 10.7890 10.7890 10.9685 10.9685 11.7104 11.7104 20.1786 20.1786 22.2326 22.2326 22.2637 22.2637 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -7.3353 -7.3353 5.4392 5.4392 5.4507 5.4507 5.8843 5.8843 10.3806 10.3806 10.4471 10.4471 10.7890 10.7890 10.9685 10.9685 11.7104 11.7104 20.1786 20.1786 22.2326 22.2326 22.2637 22.2637 k = 0.5000 0.0053 0.6048 ( 684 PWs) bands (ev): -7.3355 -7.3355 5.4358 5.4358 5.4489 5.4489 5.8884 5.8884 10.3804 10.3804 10.4467 10.4467 10.7898 10.7898 10.9697 10.9697 11.7117 11.7117 20.1799 20.1799 22.2286 22.2286 22.2613 22.2613 k = 0.5000 0.0107 0.5973 ( 684 PWs) bands (ev): -7.3360 -7.3360 5.4214 5.4214 5.4488 5.4488 5.9003 5.9003 10.3797 10.3797 10.4456 10.4456 10.7924 10.7924 10.9733 10.9733 11.7155 11.7155 20.1837 20.1837 22.2109 22.2109 22.2596 22.2596 k = 0.5000 0.0160 0.5897 ( 684 PWs) bands (ev): -7.3367 -7.3367 5.3962 5.3962 5.4515 5.4515 5.9181 5.9181 10.3785 10.3785 10.4438 10.4438 10.7963 10.7963 10.9793 10.9793 11.7219 11.7219 20.1902 20.1902 22.1754 22.1754 22.2636 22.2636 k = 0.5000 0.0214 0.5821 ( 686 PWs) bands (ev): -7.3378 -7.3378 5.3633 5.3633 5.4558 5.4558 5.9402 5.9402 10.3769 10.3769 10.4417 10.4417 10.8014 10.8014 10.9878 10.9878 11.7307 11.7307 20.1991 20.1991 22.1245 22.1245 22.2720 22.2720 k = 0.5000 0.0267 0.5746 ( 688 PWs) bands (ev): -7.3392 -7.3392 5.3246 5.3246 5.4616 5.4616 5.9648 5.9648 10.3747 10.3747 10.4393 10.4393 10.8072 10.8072 10.9990 10.9990 11.7420 11.7420 20.2105 20.2105 22.0605 22.0605 22.2837 22.2837 k = 0.5000 0.0321 0.5670 ( 688 PWs) bands (ev): -7.3409 -7.3409 5.2816 5.2816 5.4687 5.4687 5.9907 5.9907 10.3721 10.3721 10.4372 10.4372 10.8135 10.8135 11.0130 11.0130 11.7558 11.7558 20.2245 20.2245 21.9853 21.9853 22.2985 22.2985 k = 0.5000 0.0374 0.5595 ( 684 PWs) bands (ev): -7.3429 -7.3429 5.2352 5.2352 5.4772 5.4772 6.0170 6.0170 10.3692 10.3692 10.4354 10.4354 10.8200 10.8200 11.0298 11.0298 11.7719 11.7719 20.2408 20.2408 21.9003 21.9003 22.3162 22.3162 k = 0.5000 0.0428 0.5519 ( 684 PWs) bands (ev): -7.3451 -7.3451 5.1862 5.1862 5.4868 5.4868 6.0430 6.0430 10.3660 10.3660 10.4341 10.4341 10.8261 10.8261 11.0492 11.0492 11.7902 11.7902 20.2595 20.2595 21.8069 21.8069 22.3368 22.3368 k = 0.5000 0.0481 0.5443 ( 684 PWs) bands (ev): -7.3476 -7.3476 5.1353 5.1353 5.4976 5.4976 6.0682 6.0682 10.3625 10.3625 10.4335 10.4335 10.8318 10.8318 11.0714 11.0714 11.8106 11.8106 20.2805 20.2805 21.7063 21.7063 22.3604 22.3604 k = 0.5000 0.0535 0.5368 ( 684 PWs) bands (ev): -7.3504 -7.3504 5.0827 5.0827 5.5096 5.5096 6.0923 6.0923 10.3590 10.3590 10.4335 10.4335 10.8371 10.8371 11.0961 11.0961 11.8331 11.8331 20.3037 20.3037 21.5997 21.5997 22.3869 22.3869 k = 0.5000 0.0588 0.5292 ( 684 PWs) bands (ev): -7.3535 -7.3535 5.0289 5.0289 5.5226 5.5226 6.1152 6.1152 10.3555 10.3555 10.4343 10.4343 10.8418 10.8418 11.1232 11.1232 11.8576 11.8576 20.3290 20.3290 21.4880 21.4880 22.4164 22.4164 k = 0.5000 0.0642 0.5217 ( 684 PWs) bands (ev): -7.3568 -7.3568 4.9742 4.9742 5.5367 5.5367 6.1366 6.1366 10.3523 10.3523 10.4359 10.4359 10.8459 10.8459 11.1526 11.1526 11.8838 11.8838 20.3563 20.3563 21.3720 21.3720 22.4490 22.4490 k = 0.5000 0.0695 0.5141 ( 684 PWs) bands (ev): -7.3603 -7.3603 4.9187 4.9187 5.5518 5.5518 6.1564 6.1564 10.3494 10.3494 10.4381 10.4381 10.8495 10.8495 11.1841 11.1841 11.9116 11.9116 20.3855 20.3855 21.2525 21.2525 22.4848 22.4848 k = 0.5000 0.0748 0.5065 ( 682 PWs) bands (ev): -7.3640 -7.3640 4.8627 4.8627 5.5678 5.5678 6.1746 6.1746 10.3469 10.3469 10.4411 10.4411 10.8525 10.8525 11.2178 11.2178 11.9410 11.9410 20.4165 20.4165 21.1300 21.1300 22.5237 22.5237 k = 0.5000 0.0802 0.4990 ( 682 PWs) bands (ev): -7.3680 -7.3680 4.8064 4.8064 5.5847 5.5847 6.1912 6.1912 10.3450 10.3450 10.4447 10.4447 10.8551 10.8551 11.2532 11.2532 11.9717 11.9717 20.4491 20.4491 21.0051 21.0051 22.5659 22.5659 k = 0.5000 0.0855 0.4914 ( 680 PWs) bands (ev): -7.3721 -7.3721 4.7499 4.7499 5.6025 5.6025 6.2061 6.2061 10.3437 10.3437 10.4489 10.4489 10.8574 10.8574 11.2903 11.2903 12.0035 12.0035 20.4832 20.4832 20.8783 20.8783 22.6114 22.6114 k = 0.5000 0.0909 0.4838 ( 682 PWs) bands (ev): -7.3764 -7.3764 4.6935 4.6935 5.6209 5.6209 6.2194 6.2194 10.3429 10.3429 10.4536 10.4536 10.8593 10.8593 11.3290 11.3290 12.0363 12.0363 20.5184 20.5184 20.7502 20.7502 22.6603 22.6603 k = 0.5000 0.0962 0.4763 ( 682 PWs) bands (ev): -7.3809 -7.3809 4.6372 4.6372 5.6401 5.6401 6.2312 6.2312 10.3429 10.3429 10.4588 10.4588 10.8608 10.8608 11.3693 11.3693 12.0700 12.0700 20.5533 20.5533 20.6224 20.6224 22.7127 22.7127 k = 0.5000 0.1016 0.4687 ( 682 PWs) bands (ev): -7.3855 -7.3855 4.5811 4.5811 5.6599 5.6599 6.2413 6.2413 10.3437 10.3437 10.4644 10.4644 10.8622 10.8622 11.4110 11.4110 12.1044 12.1044 20.4875 20.4875 20.5954 20.5954 22.7687 22.7687 k = 0.5000 0.1069 0.4612 ( 678 PWs) bands (ev): -7.3903 -7.3903 4.5255 4.5255 5.6802 5.6802 6.2500 6.2500 10.3454 10.3454 10.4704 10.4704 10.8634 10.8634 11.4541 11.4541 12.1393 12.1393 20.3574 20.3574 20.6331 20.6331 22.8283 22.8283 k = 0.5000 0.1123 0.4536 ( 678 PWs) bands (ev): -7.3952 -7.3952 4.4703 4.4703 5.7010 5.7010 6.2573 6.2573 10.3476 10.3476 10.4766 10.4766 10.8644 10.8644 11.4985 11.4985 12.1746 12.1746 20.2261 20.2261 20.6722 20.6722 22.8915 22.8915 k = 0.5000 0.1176 0.4460 ( 678 PWs) bands (ev): -7.4001 -7.4001 4.4158 4.4158 5.7222 5.7222 6.2632 6.2632 10.3505 10.3505 10.4830 10.4830 10.8654 10.8654 11.5440 11.5440 12.2102 12.2102 20.0945 20.0945 20.7119 20.7119 22.9584 22.9584 k = 0.5000 0.1230 0.4385 ( 678 PWs) bands (ev): -7.4051 -7.4051 4.3620 4.3620 5.7437 5.7437 6.2678 6.2678 10.3543 10.3543 10.4895 10.4895 10.8664 10.8664 11.5908 11.5908 12.2458 12.2458 19.9630 19.9630 20.7521 20.7521 23.0291 23.0291 k = 0.5000 0.1283 0.4309 ( 680 PWs) bands (ev): -7.4102 -7.4102 4.3091 4.3091 5.7654 5.7654 6.2713 6.2713 10.3587 10.3587 10.4961 10.4961 10.8674 10.8674 11.6385 11.6385 12.2813 12.2813 19.8318 19.8318 20.7924 20.7924 23.1036 23.1036 k = 0.5000 0.1336 0.4234 ( 676 PWs) bands (ev): -7.4154 -7.4154 4.2570 4.2570 5.7873 5.7873 6.2736 6.2736 10.3640 10.3640 10.5026 10.5026 10.8687 10.8687 11.6875 11.6875 12.3167 12.3167 19.7011 19.7011 20.8328 20.8328 23.1818 23.1818 k = 0.5000 0.1390 0.4158 ( 676 PWs) bands (ev): -7.4205 -7.4205 4.2060 4.2060 5.8093 5.8093 6.2750 6.2750 10.3697 10.3697 10.5090 10.5090 10.8700 10.8700 11.7373 11.7373 12.3518 12.3518 19.5710 19.5710 20.8729 20.8729 23.2638 23.2638 k = 0.5000 0.1443 0.4082 ( 676 PWs) bands (ev): -7.4257 -7.4257 4.1561 4.1561 5.8313 5.8313 6.2754 6.2754 10.3761 10.3761 10.5151 10.5151 10.8716 10.8716 11.7880 11.7880 12.3865 12.3865 19.4418 19.4418 20.9127 20.9127 23.3494 23.3494 k = 0.5000 0.1497 0.4007 ( 676 PWs) bands (ev): -7.4309 -7.4309 4.1073 4.1073 5.8532 5.8532 6.2749 6.2749 10.3831 10.3831 10.5211 10.5211 10.8734 10.8734 11.8395 11.8395 12.4206 12.4206 19.3137 19.3137 20.9520 20.9520 23.4387 23.4387 k = 0.5000 0.1550 0.3931 ( 676 PWs) bands (ev): -7.4360 -7.4360 4.0598 4.0598 5.8749 5.8749 6.2737 6.2737 10.3906 10.3906 10.5267 10.5267 10.8754 10.8754 11.8917 11.8917 12.4541 12.4541 19.1868 19.1868 20.9907 20.9907 23.5314 23.5314 k = 0.5000 0.1604 0.3856 ( 676 PWs) bands (ev): -7.4411 -7.4411 4.0136 4.0136 5.8965 5.8965 6.2718 6.2718 10.3985 10.3985 10.5319 10.5319 10.8777 10.8777 11.9446 11.9446 12.4869 12.4869 19.0614 19.0614 21.0286 21.0286 23.6275 23.6275 k = 0.5000 0.1657 0.3780 ( 676 PWs) bands (ev): -7.4461 -7.4461 3.9688 3.9688 5.9177 5.9177 6.2693 6.2693 10.4069 10.4069 10.5368 10.5368 10.8804 10.8804 11.9980 11.9980 12.5189 12.5189 18.9376 18.9376 21.0657 21.0657 23.7268 23.7268 k = 0.5000 0.1711 0.3704 ( 676 PWs) bands (ev): -7.4510 -7.4510 3.9255 3.9255 5.9386 5.9386 6.2663 6.2663 10.4157 10.4157 10.5412 10.5412 10.8833 10.8833 12.0518 12.0518 12.5499 12.5499 18.8157 18.8157 21.1017 21.1017 23.8290 23.8290 k = 0.5000 0.1764 0.3629 ( 676 PWs) bands (ev): -7.4559 -7.4559 3.8837 3.8837 5.9590 5.9590 6.2629 6.2629 10.4247 10.4247 10.5452 10.5452 10.8865 10.8865 12.1059 12.1059 12.5800 12.5800 18.6958 18.6958 21.1366 21.1366 23.9339 23.9339 k = 0.5000 0.1818 0.3553 ( 678 PWs) bands (ev): -7.4606 -7.4606 3.8434 3.8434 5.9789 5.9789 6.2592 6.2592 10.4338 10.4338 10.5487 10.5487 10.8899 10.8899 12.1601 12.1601 12.6091 12.6091 18.5782 18.5782 21.1704 21.1704 24.0412 24.0412 k = 0.5000 0.1871 0.3478 ( 674 PWs) bands (ev): -7.4652 -7.4652 3.8048 3.8048 5.9983 5.9983 6.2552 6.2552 10.4433 10.4433 10.5518 10.5518 10.8938 10.8938 12.2144 12.2144 12.6372 12.6372 18.4631 18.4631 21.2028 21.2028 24.1505 24.1505 k = 0.5000 0.1925 0.3402 ( 674 PWs) bands (ev): -7.4697 -7.4697 3.7679 3.7679 6.0170 6.0170 6.2509 6.2509 10.4529 10.4529 10.5545 10.5545 10.8977 10.8977 12.2684 12.2684 12.6640 12.6640 18.3508 18.3508 21.2339 21.2339 24.2613 24.2613 k = 0.5000 0.1978 0.3326 ( 674 PWs) bands (ev): -7.4740 -7.4740 3.7327 3.7327 6.0351 6.0351 6.2465 6.2465 10.4624 10.4624 10.5567 10.5567 10.9018 10.9018 12.3221 12.3221 12.6895 12.6895 18.2415 18.2415 21.2636 21.2636 24.3733 24.3733 k = 0.5000 0.2031 0.3251 ( 674 PWs) bands (ev): -7.4781 -7.4781 3.6993 3.6993 6.0524 6.0524 6.2421 6.2421 10.4719 10.4719 10.5586 10.5586 10.9060 10.9060 12.3752 12.3752 12.7139 12.7139 18.1355 18.1355 21.2919 21.2919 24.4859 24.4859 k = 0.5000 0.2085 0.3175 ( 676 PWs) bands (ev): -7.4821 -7.4821 3.6677 3.6677 6.0688 6.0688 6.2376 6.2376 10.4811 10.4811 10.5600 10.5600 10.9102 10.9102 12.4276 12.4276 12.7369 12.7369 18.0331 18.0331 21.3186 21.3186 24.5984 24.5984 k = 0.5000 0.2138 0.3100 ( 676 PWs) bands (ev): -7.4859 -7.4859 3.6380 3.6380 6.0845 6.0845 6.2331 6.2331 10.4903 10.4903 10.5612 10.5612 10.9145 10.9145 12.4788 12.4788 12.7586 12.7586 17.9347 17.9347 21.3438 21.3438 24.7103 24.7103 k = 0.5000 0.2192 0.3024 ( 676 PWs) bands (ev): -7.4894 -7.4894 3.6101 3.6101 6.0993 6.0993 6.2288 6.2288 10.4991 10.4991 10.5621 10.5621 10.9187 10.9187 12.5287 12.5287 12.7790 12.7790 17.8406 17.8406 21.3674 21.3674 24.8208 24.8208 k = 0.5000 0.2245 0.2948 ( 674 PWs) bands (ev): -7.4928 -7.4928 3.5842 3.5842 6.1132 6.1132 6.2246 6.2246 10.5077 10.5077 10.5628 10.5628 10.9229 10.9229 12.5769 12.5769 12.7980 12.7980 17.7511 17.7511 21.3893 21.3893 24.9290 24.9290 k = 0.5000 0.2299 0.2873 ( 676 PWs) bands (ev): -7.4959 -7.4959 3.5602 3.5602 6.1259 6.1259 6.2205 6.2205 10.5158 10.5158 10.5632 10.5632 10.9269 10.9269 12.6231 12.6231 12.8156 12.8156 17.6667 17.6667 21.4096 21.4096 25.0340 25.0340 k = 0.5000 0.2352 0.2797 ( 674 PWs) bands (ev): -7.4988 -7.4988 3.5383 3.5383 6.1378 6.1378 6.2168 6.2168 10.5234 10.5234 10.5636 10.5636 10.9307 10.9307 12.6671 12.6671 12.8319 12.8319 17.5877 17.5877 21.4282 21.4282 25.1348 25.1348 k = 0.5000 0.2406 0.2722 ( 674 PWs) bands (ev): -7.5014 -7.5014 3.5183 3.5183 6.1485 6.1485 6.2133 6.2133 10.5305 10.5305 10.5638 10.5638 10.9343 10.9343 12.7083 12.7083 12.8466 12.8466 17.5145 17.5145 21.4451 21.4451 25.2301 25.2301 k = 0.5000 0.2459 0.2646 ( 676 PWs) bands (ev): -7.5038 -7.5038 3.5004 3.5004 6.1582 6.1582 6.2101 6.2101 10.5371 10.5371 10.5638 10.5638 10.9376 10.9376 12.7463 12.7463 12.8600 12.8600 17.4475 17.4475 21.4603 21.4603 25.3188 25.3188 k = 0.5000 0.2513 0.2570 ( 676 PWs) bands (ev): -7.5059 -7.5059 3.4846 3.4846 6.1667 6.1667 6.2073 6.2073 10.5429 10.5429 10.5638 10.5638 10.9406 10.9406 12.7808 12.7808 12.8721 12.8721 17.3871 17.3871 21.4737 21.4737 25.3994 25.3994 k = 0.5000 0.2566 0.2495 ( 676 PWs) bands (ev): -7.5078 -7.5078 3.4708 3.4708 6.1740 6.1740 6.2049 6.2049 10.5481 10.5481 10.5638 10.5638 10.9433 10.9433 12.8113 12.8113 12.8829 12.8829 17.3339 17.3339 21.4853 21.4853 25.4702 25.4702 k = 0.5000 0.2619 0.2419 ( 672 PWs) bands (ev): -7.5093 -7.5093 3.4591 3.4591 6.1800 6.1800 6.2032 6.2032 10.5525 10.5525 10.5640 10.5640 10.9456 10.9456 12.8373 12.8373 12.8926 12.8926 17.2880 17.2880 21.4953 21.4953 25.5293 25.5293 k = 0.5000 0.2673 0.2344 ( 672 PWs) bands (ev): -7.5106 -7.5106 3.4495 3.4495 6.1847 6.1847 6.2020 6.2020 10.5561 10.5561 10.5640 10.5640 10.9476 10.9476 12.8583 12.8583 12.9013 12.9013 17.2500 17.2500 21.5034 21.5034 25.5748 25.5749 k = 0.5000 0.2726 0.2268 ( 672 PWs) bands (ev): -7.5116 -7.5116 3.4421 3.4421 6.1879 6.1879 6.2014 6.2014 10.5587 10.5587 10.5642 10.5642 10.9491 10.9491 12.8739 12.8739 12.9092 12.9092 17.2200 17.2200 21.5097 21.5097 25.6060 25.6060 k = 0.5000 0.2780 0.2192 ( 668 PWs) bands (ev): -7.5123 -7.5123 3.4368 3.4368 6.1897 6.1897 6.2016 6.2016 10.5605 10.5605 10.5647 10.5647 10.9503 10.9503 12.8842 12.8842 12.9159 12.9159 17.1984 17.1984 21.5142 21.5142 25.6242 25.6242 k = 0.5000 0.2833 0.2117 ( 654 PWs) bands (ev): -7.5128 -7.5128 3.4336 3.4336 6.1907 6.1907 6.2022 6.2022 10.5618 10.5618 10.5655 10.5655 10.9510 10.9510 12.8900 12.8900 12.9207 12.9207 17.1854 17.1854 21.5170 21.5170 25.6331 25.6331 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -7.5129 -7.5129 3.4325 3.4325 6.1910 6.1910 6.2024 6.2024 10.5621 10.5621 10.5658 10.5658 10.9513 10.9513 12.8918 12.8918 12.9224 12.9224 17.1811 17.1811 21.5179 21.5179 25.6357 25.6357 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -7.5129 -7.5129 3.4325 3.4325 6.1910 6.1910 6.2024 6.2024 10.5621 10.5621 10.5658 10.5658 10.9513 10.9513 12.8918 12.8918 12.9224 12.9224 17.1811 17.1811 21.5179 21.5179 25.6357 25.6357 k = 0.4973 0.2871 0.2130 ( 654 PWs) bands (ev): -7.5128 -7.5128 3.4336 3.4336 6.1907 6.1907 6.2021 6.2021 10.5618 10.5618 10.5655 10.5655 10.9510 10.9510 12.8899 12.8899 12.9207 12.9207 17.1856 17.1856 21.5170 21.5170 25.6330 25.6330 k = 0.4946 0.2855 0.2219 ( 668 PWs) bands (ev): -7.5123 -7.5123 3.4369 3.4369 6.1897 6.1897 6.2016 6.2016 10.5605 10.5605 10.5646 10.5646 10.9502 10.9502 12.8839 12.8839 12.9157 12.9157 17.1990 17.1990 21.5141 21.5141 25.6238 25.6238 k = 0.4918 0.2840 0.2307 ( 668 PWs) bands (ev): -7.5116 -7.5116 3.4424 3.4424 6.1878 6.1878 6.2015 6.2015 10.5588 10.5588 10.5643 10.5643 10.9491 10.9491 12.8733 12.8733 12.9089 12.9089 17.2213 17.2213 21.5094 21.5094 25.6048 25.6048 k = 0.4891 0.2824 0.2396 ( 672 PWs) bands (ev): -7.5105 -7.5105 3.4501 3.4501 6.1844 6.1844 6.2019 6.2019 10.5559 10.5559 10.5640 10.5640 10.9475 10.9475 12.8571 12.8571 12.9008 12.9008 17.2523 17.2523 21.5029 21.5029 25.5722 25.5722 k = 0.4864 0.2808 0.2485 ( 674 PWs) bands (ev): -7.5092 -7.5092 3.4600 3.4600 6.1795 6.1795 6.2033 6.2033 10.5521 10.5521 10.5640 10.5640 10.9455 10.9455 12.8353 12.8353 12.8919 12.8919 17.2915 17.2915 21.4945 21.4945 25.5246 25.5246 k = 0.4837 0.2793 0.2574 ( 674 PWs) bands (ev): -7.5076 -7.5076 3.4721 3.4721 6.1732 6.1732 6.2053 6.2053 10.5474 10.5474 10.5641 10.5641 10.9431 10.9431 12.8084 12.8084 12.8821 12.8821 17.3388 17.3388 21.4843 21.4843 25.4631 25.4631 k = 0.4810 0.2777 0.2662 ( 674 PWs) bands (ev): -7.5057 -7.5057 3.4863 3.4863 6.1655 6.1655 6.2079 6.2079 10.5419 10.5419 10.5643 10.5643 10.9403 10.9403 12.7768 12.7768 12.8711 12.8711 17.3938 17.3938 21.4722 21.4722 25.3894 25.3894 k = 0.4783 0.2761 0.2751 ( 674 PWs) bands (ev): -7.5035 -7.5035 3.5027 3.5027 6.1564 6.1564 6.2110 6.2110 10.5355 10.5355 10.5646 10.5646 10.9372 10.9372 12.7411 12.7411 12.8588 12.8588 17.4559 17.4559 21.4584 21.4584 25.3056 25.3056 k = 0.4755 0.2746 0.2840 ( 674 PWs) bands (ev): -7.5010 -7.5010 3.5212 3.5212 6.1462 6.1462 6.2146 6.2146 10.5284 10.5284 10.5650 10.5650 10.9337 10.9337 12.7017 12.7017 12.8452 12.8452 17.5249 17.5249 21.4427 21.4427 25.2132 25.2132 k = 0.4728 0.2730 0.2929 ( 670 PWs) bands (ev): -7.4983 -7.4983 3.5418 3.5418 6.1347 6.1347 6.2187 6.2187 10.5205 10.5205 10.5655 10.5655 10.9301 10.9301 12.6592 12.6592 12.8304 12.8304 17.6002 17.6002 21.4252 21.4252 25.1139 25.1139 k = 0.4701 0.2714 0.3017 ( 674 PWs) bands (ev): -7.4954 -7.4954 3.5645 3.5645 6.1218 6.1218 6.2232 6.2232 10.5117 10.5117 10.5659 10.5659 10.9261 10.9261 12.6136 12.6136 12.8140 12.8140 17.6813 17.6813 21.4060 21.4060 25.0087 25.0087 k = 0.4674 0.2698 0.3106 ( 674 PWs) bands (ev): -7.4921 -7.4921 3.5892 3.5892 6.1078 6.1078 6.2281 6.2281 10.5023 10.5023 10.5665 10.5665 10.9219 10.9219 12.5658 12.5658 12.7964 12.7964 17.7679 17.7679 21.3850 21.3850 24.8990 24.8990 k = 0.4647 0.2683 0.3195 ( 676 PWs) bands (ev): -7.4887 -7.4887 3.6160 3.6160 6.0926 6.0926 6.2335 6.2335 10.4921 10.4921 10.5671 10.5671 10.9176 10.9176 12.5160 12.5160 12.7774 12.7774 17.8594 17.8594 21.3623 21.3623 24.7856 24.7856 k = 0.4620 0.2667 0.3284 ( 676 PWs) bands (ev): -7.4850 -7.4850 3.6447 3.6447 6.0762 6.0762 6.2392 6.2392 10.4813 10.4813 10.5679 10.5679 10.9131 10.9131 12.4644 12.4644 12.7572 12.7572 17.9555 17.9555 21.3379 21.3379 24.6696 24.6696 k = 0.4592 0.2651 0.3372 ( 676 PWs) bands (ev): -7.4812 -7.4812 3.6754 3.6754 6.0586 6.0586 6.2454 6.2454 10.4698 10.4698 10.5687 10.5687 10.9086 10.9086 12.4115 12.4115 12.7358 12.7358 18.0557 18.0557 21.3118 21.3118 24.5516 24.5516 k = 0.4565 0.2636 0.3461 ( 676 PWs) bands (ev): -7.4771 -7.4771 3.7080 3.7080 6.0398 6.0398 6.2519 6.2519 10.4577 10.4577 10.5697 10.5697 10.9041 10.9041 12.3576 12.3576 12.7132 12.7132 18.1596 18.1596 21.2841 21.2841 24.4326 24.4326 k = 0.4538 0.2620 0.3550 ( 676 PWs) bands (ev): -7.4729 -7.4729 3.7425 3.7425 6.0198 6.0198 6.2589 6.2589 10.4449 10.4449 10.5708 10.5708 10.8996 10.8996 12.3028 12.3028 12.6895 12.6895 18.2668 18.2668 21.2548 21.2548 24.3132 24.3132 k = 0.4511 0.2604 0.3639 ( 675 PWs) bands (ev): -7.4685 -7.4685 3.7788 3.7788 5.9988 5.9988 6.2662 6.2662 10.4315 10.4315 10.5720 10.5720 10.8953 10.8953 12.2476 12.2476 12.6647 12.6647 18.3768 18.3768 21.2241 21.2241 24.1939 24.1939 k = 0.4484 0.2589 0.3727 ( 675 PWs) bands (ev): -7.4639 -7.4639 3.8169 3.8169 5.9766 5.9766 6.2739 6.2739 10.4175 10.4175 10.5733 10.5733 10.8910 10.8910 12.1920 12.1920 12.6388 12.6388 18.4894 18.4894 21.1918 21.1918 24.0753 24.0753 k = 0.4457 0.2573 0.3816 ( 675 PWs) bands (ev): -7.4592 -7.4592 3.8568 3.8568 5.9533 5.9533 6.2820 6.2820 10.4029 10.4029 10.5748 10.5748 10.8869 10.8869 12.1364 12.1364 12.6119 12.6119 18.6040 18.6040 21.1582 21.1582 23.9578 23.9578 k = 0.4429 0.2557 0.3905 ( 675 PWs) bands (ev): -7.4544 -7.4544 3.8983 3.8983 5.9290 5.9290 6.2904 6.2904 10.3877 10.3877 10.5764 10.5764 10.8831 10.8831 12.0810 12.0810 12.5840 12.5840 18.7202 18.7202 21.1234 21.1234 23.8420 23.8420 k = 0.4402 0.2542 0.3994 ( 681 PWs) bands (ev): -7.4496 -7.4496 3.9414 3.9414 5.9036 5.9036 6.2990 6.2990 10.3719 10.3719 10.5780 10.5780 10.8795 10.8795 12.0258 12.0258 12.5551 12.5551 18.8377 18.8377 21.0875 21.0875 23.7282 23.7282 k = 0.4375 0.2526 0.4082 ( 681 PWs) bands (ev): -7.4446 -7.4446 3.9860 3.9860 5.8772 5.8772 6.3081 6.3081 10.3556 10.3556 10.5799 10.5799 10.8763 10.8763 11.9713 11.9713 12.5254 12.5254 18.9558 18.9558 21.0508 21.0508 23.6168 23.6168 k = 0.4348 0.2510 0.4171 ( 681 PWs) bands (ev): -7.4396 -7.4396 4.0322 4.0322 5.8499 5.8499 6.3175 6.3175 10.3387 10.3387 10.5820 10.5820 10.8735 10.8735 11.9175 11.9175 12.4949 12.4949 19.0741 19.0741 21.0135 21.0135 23.5080 23.5080 k = 0.4321 0.2495 0.4260 ( 683 PWs) bands (ev): -7.4346 -7.4346 4.0798 4.0798 5.8217 5.8217 6.3272 6.3272 10.3213 10.3213 10.5841 10.5841 10.8711 10.8711 11.8646 11.8646 12.4636 12.4636 19.1920 19.1920 20.9761 20.9761 23.4021 23.4021 k = 0.4293 0.2479 0.4349 ( 683 PWs) bands (ev): -7.4295 -7.4295 4.1288 4.1288 5.7926 5.7926 6.3373 6.3373 10.3033 10.3033 10.5866 10.5866 10.8691 10.8691 11.8128 11.8128 12.4316 12.4316 19.3086 19.3086 20.9390 20.9390 23.2993 23.2993 k = 0.4266 0.2463 0.4437 ( 682 PWs) bands (ev): -7.4245 -7.4245 4.1790 4.1790 5.7627 5.7627 6.3477 6.3477 10.2848 10.2848 10.5892 10.5892 10.8677 10.8677 11.7623 11.7623 12.3989 12.3989 19.4229 19.4229 20.9032 20.9032 23.2000 23.2000 k = 0.4239 0.2447 0.4526 ( 682 PWs) bands (ev): -7.4195 -7.4195 4.2305 4.2305 5.7321 5.7321 6.3583 6.3583 10.2657 10.2657 10.5920 10.5920 10.8667 10.8667 11.7130 11.7130 12.3656 12.3656 19.5336 19.5336 20.8696 20.8696 23.1041 23.1041 k = 0.4212 0.2432 0.4615 ( 684 PWs) bands (ev): -7.4146 -7.4146 4.2830 4.2830 5.7008 5.7008 6.3693 6.3693 10.2461 10.2461 10.5950 10.5950 10.8660 10.8660 11.6652 11.6652 12.3318 12.3318 19.6390 19.6390 20.8400 20.8400 23.0119 23.0119 k = 0.4185 0.2416 0.4704 ( 685 PWs) bands (ev): -7.4098 -7.4098 4.3366 4.3366 5.6689 5.6689 6.3806 6.3806 10.2259 10.2259 10.5981 10.5981 10.8659 10.8659 11.6191 11.6191 12.2973 12.2973 19.7366 19.7366 20.8165 20.8165 22.9235 22.9235 k = 0.4158 0.2400 0.4792 ( 685 PWs) bands (ev): -7.4050 -7.4050 4.3911 4.3911 5.6365 5.6365 6.3921 6.3921 10.2052 10.2052 10.6015 10.6015 10.8664 10.8664 11.5748 11.5748 12.2624 12.2624 19.8232 19.8232 20.8024 20.8024 22.8388 22.8388 k = 0.4130 0.2385 0.4881 ( 685 PWs) bands (ev): -7.4005 -7.4005 4.4464 4.4464 5.6036 5.6036 6.4040 6.4040 10.1840 10.1840 10.6051 10.6051 10.8672 10.8672 11.5324 11.5324 12.2270 12.2270 19.8948 19.8948 20.8014 20.8014 22.7581 22.7581 k = 0.4103 0.2369 0.4970 ( 685 PWs) bands (ev): -7.3961 -7.3961 4.5024 4.5024 5.5705 5.5705 6.4161 6.4161 10.1623 10.1623 10.6088 10.6088 10.8685 10.8685 11.4921 11.4921 12.1912 12.1912 19.9475 19.9475 20.8173 20.8173 22.6813 22.6813 k = 0.4076 0.2353 0.5059 ( 681 PWs) bands (ev): -7.3919 -7.3919 4.5590 4.5590 5.5372 5.5372 6.4285 6.4285 10.1402 10.1402 10.6129 10.6129 10.8703 10.8703 11.4541 11.4541 12.1551 12.1551 19.9788 19.9788 20.8527 20.8527 22.6085 22.6085 k = 0.4049 0.2338 0.5147 ( 680 PWs) bands (ev): -7.3879 -7.3879 4.6160 4.6160 5.5038 5.5038 6.4411 6.4411 10.1175 10.1175 10.6170 10.6170 10.8723 10.8723 11.4183 11.4183 12.1186 12.1186 19.9888 19.9888 20.9073 20.9073 22.5395 22.5395 k = 0.4022 0.2322 0.5236 ( 681 PWs) bands (ev): -7.3842 -7.3842 4.6731 4.6731 5.4707 5.4707 6.4540 6.4540 10.0945 10.0945 10.6212 10.6212 10.8744 10.8744 11.3849 11.3849 12.0818 12.0818 19.9803 19.9803 20.9782 20.9782 22.4743 22.4743 k = 0.3995 0.2306 0.5325 ( 681 PWs) bands (ev): -7.3808 -7.3808 4.7301 4.7301 5.4380 5.4380 6.4672 6.4672 10.0709 10.0709 10.6256 10.6256 10.8767 10.8767 11.3542 11.3542 12.0448 12.0448 19.9572 19.9572 21.0616 21.0616 22.4129 22.4129 k = 0.3967 0.2291 0.5414 ( 683 PWs) bands (ev): -7.3777 -7.3777 4.7866 4.7866 5.4061 5.4061 6.4807 6.4807 10.0469 10.0469 10.6301 10.6301 10.8790 10.8790 11.3262 11.3262 12.0075 12.0075 19.9233 19.9233 21.1535 21.1535 22.3552 22.3552 k = 0.3940 0.2275 0.5502 ( 683 PWs) bands (ev): -7.3749 -7.3749 4.8420 4.8420 5.3757 5.3757 6.4944 6.4944 10.0226 10.0226 10.6347 10.6347 10.8813 10.8813 11.3012 11.3012 11.9701 11.9701 19.8816 19.8816 21.2511 21.2511 22.3011 22.3011 k = 0.3913 0.2259 0.5591 ( 683 PWs) bands (ev): -7.3726 -7.3726 4.8953 4.8953 5.3477 5.3477 6.5083 6.5083 9.9979 9.9979 10.6394 10.6394 10.8833 10.8833 11.2792 11.2792 11.9326 11.9326 19.8344 19.8344 21.3519 21.3519 22.2507 22.2507 k = 0.3886 0.2244 0.5680 ( 681 PWs) bands (ev): -7.3706 -7.3706 4.9450 4.9450 5.3237 5.3237 6.5226 6.5226 9.9730 9.9730 10.6443 10.6443 10.8851 10.8851 11.2604 11.2604 11.8950 11.8950 19.7833 19.7833 21.4545 21.4545 22.2037 22.2037 k = 0.3859 0.2228 0.5769 ( 679 PWs) bands (ev): -7.3690 -7.3690 4.9881 4.9881 5.3066 5.3066 6.5370 6.5370 9.9478 9.9478 10.6492 10.6492 10.8864 10.8864 11.2448 11.2448 11.8573 11.8573 19.7294 19.7294 21.5575 21.5575 22.1603 22.1603 k = 0.3832 0.2212 0.5857 ( 680 PWs) bands (ev): -7.3679 -7.3679 5.0202 5.0202 5.3009 5.3009 6.5517 6.5517 9.9222 9.9222 10.6540 10.6540 10.8872 10.8872 11.2323 11.2323 11.8196 11.8196 19.6737 19.6737 21.6600 21.6600 22.1204 22.1204 k = 0.3804 0.2196 0.5946 ( 680 PWs) bands (ev): -7.3674 -7.3674 5.0367 5.0367 5.3112 5.3112 6.5667 6.5667 9.8965 9.8965 10.6589 10.6589 10.8875 10.8875 11.2231 11.2231 11.7819 11.7819 19.6167 19.6167 21.7610 21.7610 22.0843 22.0843 k = 0.3777 0.2181 0.6035 ( 682 PWs) bands (ev): -7.3673 -7.3673 5.0368 5.0368 5.3383 5.3383 6.5819 6.5819 9.8706 9.8706 10.6638 10.6638 10.8872 10.8872 11.2170 11.2170 11.7444 11.7444 19.5592 19.5592 21.8587 21.8587 22.0531 22.0531 k = 0.3750 0.2165 0.6124 ( 682 PWs) bands (ev): -7.3678 -7.3678 5.0245 5.0245 5.3782 5.3782 6.5974 6.5974 9.8446 9.8446 10.6686 10.6686 10.8864 10.8864 11.2138 11.2138 11.7069 11.7069 19.5013 19.5013 21.9447 21.9447 22.0350 22.0350 k = 0.6250-0.0722 0.4082 ( 682 PWs) bands (ev): -7.3678 -7.3678 5.0245 5.0245 5.3782 5.3782 6.5974 6.5974 9.8446 9.8446 10.6686 10.6686 10.8864 10.8864 11.2138 11.2138 11.7069 11.7069 19.5013 19.5013 21.9447 21.9447 22.0350 22.0350 k = 0.6204-0.0802 0.4082 ( 682 PWs) bands (ev): -7.3693 -7.3693 4.9963 4.9963 5.4552 5.4552 6.6244 6.6244 9.7999 9.7999 10.6764 10.6764 10.8849 10.8849 11.2106 11.2106 11.6432 11.6432 19.4035 19.4035 22.0222 22.0222 22.0739 22.0739 k = 0.6157-0.0882 0.4082 ( 682 PWs) bands (ev): -7.3712 -7.3712 4.9692 4.9692 5.5340 5.5340 6.6520 6.6520 9.7547 9.7547 10.6839 10.6839 10.8832 10.8832 11.2068 11.2068 11.5795 11.5795 19.3073 19.3073 22.0236 22.0236 22.1881 22.1881 k = 0.6111-0.0962 0.4082 ( 682 PWs) bands (ev): -7.3735 -7.3735 4.9430 4.9430 5.6144 5.6144 6.6804 6.6804 9.7090 9.7090 10.6908 10.6908 10.8815 10.8815 11.2025 11.2025 11.5160 11.5160 19.2127 19.2127 22.0221 22.0221 22.3042 22.3042 k = 0.6065-0.1042 0.4082 ( 682 PWs) bands (ev): -7.3762 -7.3762 4.9178 4.9178 5.6962 5.6962 6.7092 6.7092 9.6628 9.6628 10.6972 10.6972 10.8797 10.8797 11.1976 11.1976 11.4529 11.4529 19.1199 19.1199 22.0209 22.0209 22.4189 22.4189 k = 0.6019-0.1123 0.4082 ( 678 PWs) bands (ev): -7.3791 -7.3791 4.8936 4.8936 5.7792 5.7792 6.7385 6.7385 9.6163 9.6163 10.7033 10.7033 10.8779 10.8779 11.1923 11.1923 11.3908 11.3908 19.0291 19.0291 22.0201 22.0201 22.5317 22.5317 k = 0.5972-0.1203 0.4082 ( 678 PWs) bands (ev): -7.3822 -7.3822 4.8704 4.8704 5.8631 5.8631 6.7680 6.7680 9.5694 9.5694 10.7087 10.7087 10.8760 10.8760 11.1864 11.1864 11.3293 11.3293 18.9404 18.9404 22.0198 22.0198 22.6422 22.6422 k = 0.5926-0.1283 0.4082 ( 678 PWs) bands (ev): -7.3856 -7.3856 4.8483 4.8483 5.9477 5.9477 6.7978 6.7978 9.5222 9.5222 10.7136 10.7136 10.8739 10.8739 11.1799 11.1799 11.2691 11.2691 18.8541 18.8541 22.0198 22.0198 22.7503 22.7503 k = 0.5880-0.1363 0.4082 ( 678 PWs) bands (ev): -7.3890 -7.3890 4.8272 4.8272 6.0329 6.0329 6.8277 6.8277 9.4747 9.4747 10.7179 10.7179 10.8714 10.8714 11.1725 11.1725 11.2109 11.2109 18.7702 18.7702 22.0203 22.0203 22.8556 22.8556 k = 0.5833-0.1443 0.4082 ( 678 PWs) bands (ev): -7.3926 -7.3926 4.8071 4.8071 6.1182 6.1182 6.8575 6.8575 9.4271 9.4271 10.7218 10.7218 10.8684 10.8684 11.1497 11.1497 11.1698 11.1698 18.6890 18.6890 22.0211 22.0211 22.9581 22.9581 k = 0.5787-0.1524 0.4082 ( 678 PWs) bands (ev): -7.3962 -7.3962 4.7881 4.7881 6.2035 6.2035 6.8872 6.8872 9.3794 9.3794 10.7251 10.7251 10.8645 10.8645 11.0973 11.0973 11.1604 11.1604 18.6108 18.6108 22.0221 22.0221 23.0573 23.0573 k = 0.5741-0.1604 0.4082 ( 678 PWs) bands (ev): -7.3999 -7.3999 4.7701 4.7701 6.2884 6.2884 6.9165 6.9165 9.3317 9.3317 10.7279 10.7279 10.8588 10.8588 11.0468 11.0468 11.1527 11.1527 18.5356 18.5356 22.0234 22.0234 23.1531 23.1531 k = 0.5694-0.1684 0.4082 ( 674 PWs) bands (ev): -7.4035 -7.4035 4.7532 4.7532 6.3726 6.3726 6.9454 6.9454 9.2843 9.2843 10.7302 10.7302 10.8498 10.8498 11.0014 11.0014 11.1450 11.1450 18.4637 18.4637 22.0248 22.0248 23.2452 23.2452 k = 0.5648-0.1764 0.4082 ( 674 PWs) bands (ev): -7.4070 -7.4070 4.7374 4.7374 6.4558 6.4558 6.9736 6.9736 9.2368 9.2368 10.7321 10.7321 10.8350 10.8350 10.9640 10.9640 11.1373 11.1373 18.3953 18.3953 22.0264 22.0264 23.3333 23.3333 k = 0.5602-0.1844 0.4082 ( 672 PWs) bands (ev): -7.4105 -7.4105 4.7226 4.7226 6.5375 6.5375 7.0011 7.0011 9.1897 9.1897 10.7334 10.7334 10.8122 10.8122 10.9374 10.9374 11.1294 11.1294 18.3305 18.3305 22.0280 22.0280 23.4171 23.4171 k = 0.5556-0.1925 0.4082 ( 672 PWs) bands (ev): -7.4139 -7.4139 4.7089 4.7089 6.6174 6.6174 7.0275 7.0275 9.1430 9.1430 10.7340 10.7340 10.7818 10.7818 10.9210 10.9210 11.1219 11.1219 18.2697 18.2697 22.0297 22.0297 23.4964 23.4964 k = 0.5509-0.2005 0.4082 ( 672 PWs) bands (ev): -7.4171 -7.4171 4.6963 4.6963 6.6949 6.6949 7.0528 7.0528 9.0971 9.0971 10.7318 10.7318 10.7496 10.7496 10.9117 10.9117 11.1146 11.1146 18.2129 18.2129 22.0314 22.0314 23.5708 23.5708 k = 0.5463-0.2085 0.4082 ( 676 PWs) bands (ev): -7.4201 -7.4201 4.6848 4.6848 6.7695 6.7695 7.0768 7.0768 9.0523 9.0523 10.7072 10.7072 10.7384 10.7384 10.9061 10.9061 11.1075 11.1075 18.1604 18.1604 22.0331 22.0331 23.6401 23.6401 k = 0.5417-0.2165 0.4082 ( 676 PWs) bands (ev): -7.4229 -7.4229 4.6743 4.6743 6.8406 6.8406 7.0993 7.0993 9.0088 9.0088 10.6732 10.6732 10.7376 10.7376 10.9029 10.9029 11.1009 11.1009 18.1124 18.1124 22.0347 22.0347 23.7039 23.7039 k = 0.5370-0.2245 0.4082 ( 676 PWs) bands (ev): -7.4254 -7.4254 4.6649 4.6649 6.9075 6.9075 7.1203 7.1203 8.9671 8.9671 10.6406 10.6406 10.7374 10.7374 10.9009 10.9009 11.0947 11.0947 18.0689 18.0689 22.0362 22.0362 23.7620 23.7620 k = 0.5324-0.2325 0.4082 ( 684 PWs) bands (ev): -7.4278 -7.4278 4.6567 4.6567 6.9695 6.9695 7.1394 7.1394 8.9276 8.9276 10.6105 10.6105 10.7369 10.7369 10.8994 10.8994 11.0887 11.0887 18.0301 18.0301 22.0375 22.0375 23.8140 23.8140 k = 0.5278-0.2406 0.4082 ( 686 PWs) bands (ev): -7.4298 -7.4298 4.6495 4.6495 7.0255 7.0255 7.1568 7.1568 8.8910 8.8910 10.5838 10.5838 10.7367 10.7367 10.8986 10.8986 11.0836 11.0836 17.9963 17.9963 22.0387 22.0387 23.8598 23.8598 k = 0.5231-0.2486 0.4082 ( 686 PWs) bands (ev): -7.4316 -7.4316 4.6434 4.6434 7.0746 7.0746 7.1724 7.1724 8.8583 8.8583 10.5607 10.5607 10.7364 10.7364 10.8981 10.8981 11.0792 11.0792 17.9674 17.9674 22.0398 22.0398 23.8990 23.8990 k = 0.5185-0.2566 0.4082 ( 686 PWs) bands (ev): -7.4330 -7.4330 4.6384 4.6384 7.1153 7.1153 7.1865 7.1865 8.8300 8.8300 10.5415 10.5415 10.7361 10.7361 10.8978 10.8978 11.0755 11.0755 17.9437 17.9437 22.0408 22.0408 23.9314 23.9314 k = 0.5139-0.2646 0.4082 ( 686 PWs) bands (ev): -7.4342 -7.4342 4.6346 4.6346 7.1464 7.1464 7.1996 7.1996 8.8069 8.8069 10.5264 10.5264 10.7358 10.7358 10.8976 10.8976 11.0726 11.0726 17.9251 17.9251 22.0415 22.0415 23.9569 23.9569 k = 0.5093-0.2726 0.4082 ( 692 PWs) bands (ev): -7.4350 -7.4350 4.6318 4.6318 7.1667 7.1667 7.2114 7.2114 8.7896 8.7896 10.5153 10.5153 10.7355 10.7355 10.8974 10.8974 11.0705 11.0705 17.9118 17.9118 22.0420 22.0420 23.9751 23.9751 k = 0.5046-0.2807 0.4082 ( 692 PWs) bands (ev): -7.4355 -7.4355 4.6302 4.6302 7.1775 7.1775 7.2203 7.2203 8.7790 8.7790 10.5087 10.5087 10.7354 10.7354 10.8973 10.8973 11.0692 11.0692 17.9038 17.9038 22.0423 22.0423 23.9861 23.9861 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -7.4357 -7.4357 4.6296 4.6296 7.1808 7.1808 7.2236 7.2236 8.7754 8.7754 10.5065 10.5065 10.7353 10.7353 10.8973 10.8973 11.0688 11.0688 17.9011 17.9011 22.0424 22.0424 23.9898 23.9898 Writing output data file NiO.save init_run : 0.11s CPU 0.28s WALL ( 1 calls) electrons : 38.91s CPU 40.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.00s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 38.90s CPU 40.05s 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 : 0.04s CPU 0.01s WALL ( 496 calls) cegterg : 35.64s CPU 36.51s WALL ( 611 calls) Called by sum_band: Called by *egterg: h_psi : 14.24s CPU 14.61s WALL ( 8175 calls) s_psi : 0.49s CPU 0.56s WALL ( 8175 calls) g_psi : 0.02s CPU 0.03s WALL ( 7068 calls) cdiaghg : 20.60s CPU 20.91s WALL ( 7564 calls) cegterg:over : 1.02s CPU 1.03s WALL ( 7068 calls) cegterg:upda : 0.72s CPU 0.75s WALL ( 7068 calls) cegterg:last : 0.23s CPU 0.33s WALL ( 1396 calls) cdiaghg:chol : 1.07s CPU 1.05s WALL ( 7564 calls) cdiaghg:inve : 0.34s CPU 0.40s WALL ( 7564 calls) cdiaghg:para : 1.31s CPU 1.33s WALL ( 15128 calls) Called by h_psi: h_psi:vloc : 12.85s CPU 13.23s WALL ( 8175 calls) h_psi:vnl : 1.37s CPU 1.35s WALL ( 8175 calls) add_vuspsi : 0.70s CPU 0.71s WALL ( 8175 calls) General routines calbec : 0.66s CPU 0.62s WALL ( 8175 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.18s CPU 12.54s WALL ( 424564 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.19s WALL ( 992 calls) Parallel routines fft_scatter : 7.04s CPU 7.20s WALL ( 424587 calls) PWSCF : 0m46.18s CPU 1m 1.46s WALL This run was terminated on: 20:56:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=