Program PWSCF v.5.1.1 starts on 24May2015 at 14:43:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 8 2 249 108 17 Max 15 9 3 253 115 22 Sum 685 409 121 12039 5329 941 bravais-lattice index = 14 lattice parameter (alat) = 5.5807 a.u. unit-cell volume = 122.9002 (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)= 5.580707 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: /home/autes/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: /home/autes/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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 i 7 3s_v 8 11 -12 2S6 9 10 3s_v 12 -11 -8 -E -1 -2C3 -3 -4 -i -7 -2S6 -9 -10 Cartesian axes number of k points= 499 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 2) = ( 0.0065790 -0.0037984 0.0053717), wk = 0.0020040 k( 3) = ( 0.0131579 -0.0075967 0.0107434), wk = 0.0020040 k( 4) = ( 0.0197368 -0.0113951 0.0161151), wk = 0.0020040 k( 5) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0020040 k( 6) = ( 0.0328947 -0.0189918 0.0268584), wk = 0.0020040 k( 7) = ( 0.0394737 -0.0227901 0.0322301), wk = 0.0020040 k( 8) = ( 0.0460526 -0.0265885 0.0376018), wk = 0.0020040 k( 9) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0020040 k( 10) = ( 0.0592105 -0.0341852 0.0483452), wk = 0.0020040 k( 11) = ( 0.0657895 -0.0379836 0.0537169), wk = 0.0020040 k( 12) = ( 0.0723684 -0.0417819 0.0590886), wk = 0.0020040 k( 13) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0020040 k( 14) = ( 0.0855263 -0.0493786 0.0698319), wk = 0.0020040 k( 15) = ( 0.0921053 -0.0531770 0.0752036), wk = 0.0020040 k( 16) = ( 0.0986842 -0.0569754 0.0805753), wk = 0.0020040 k( 17) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0020040 k( 18) = ( 0.1118421 -0.0645721 0.0913187), wk = 0.0020040 k( 19) = ( 0.1184210 -0.0683704 0.0966904), wk = 0.0020040 k( 20) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0020040 k( 21) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0020040 k( 22) = ( 0.1381579 -0.0797655 0.1128054), wk = 0.0020040 k( 23) = ( 0.1447368 -0.0835639 0.1181771), wk = 0.0020040 k( 24) = ( 0.1513158 -0.0873622 0.1235488), wk = 0.0020040 k( 25) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0020040 k( 26) = ( 0.1644737 -0.0949589 0.1342922), wk = 0.0020040 k( 27) = ( 0.1710526 -0.0987573 0.1396639), wk = 0.0020040 k( 28) = ( 0.1776316 -0.1025556 0.1450356), wk = 0.0020040 k( 29) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0020040 k( 30) = ( 0.1907895 -0.1101524 0.1557789), wk = 0.0020040 k( 31) = ( 0.1973684 -0.1139507 0.1611506), wk = 0.0020040 k( 32) = ( 0.2039474 -0.1177491 0.1665223), wk = 0.0020040 k( 33) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0020040 k( 34) = ( 0.2171053 -0.1253458 0.1772657), wk = 0.0020040 k( 35) = ( 0.2236842 -0.1291441 0.1826374), wk = 0.0020040 k( 36) = ( 0.2302632 -0.1329425 0.1880091), wk = 0.0020040 k( 37) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0020040 k( 38) = ( 0.2434210 -0.1405392 0.1987525), wk = 0.0020040 k( 39) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020040 k( 40) = ( 0.2565789 -0.1481359 0.2094958), wk = 0.0020040 k( 41) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0020040 k( 42) = ( 0.2697368 -0.1557326 0.2202392), wk = 0.0020040 k( 43) = ( 0.2763158 -0.1595310 0.2256109), wk = 0.0020040 k( 44) = ( 0.2828947 -0.1633294 0.2309826), wk = 0.0020040 k( 45) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0020040 k( 46) = ( 0.2960526 -0.1709261 0.2417260), wk = 0.0020040 k( 47) = ( 0.3026316 -0.1747244 0.2470977), wk = 0.0020040 k( 48) = ( 0.3092105 -0.1785228 0.2524693), wk = 0.0020040 k( 49) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0020040 k( 50) = ( 0.3223684 -0.1861195 0.2632127), wk = 0.0020040 k( 51) = ( 0.3289474 -0.1899179 0.2685844), wk = 0.0020040 k( 52) = ( 0.3355263 -0.1937162 0.2739561), wk = 0.0020040 k( 53) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0020040 k( 54) = ( 0.3486842 -0.2013129 0.2846995), wk = 0.0020040 k( 55) = ( 0.3552632 -0.2051113 0.2900712), wk = 0.0020040 k( 56) = ( 0.3618421 -0.2089096 0.2954428), wk = 0.0020040 k( 57) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0020040 k( 58) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0020040 k( 59) = ( 0.3815789 -0.2203047 0.3115579), wk = 0.0020040 k( 60) = ( 0.3881579 -0.2241031 0.3169296), wk = 0.0020040 k( 61) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0020040 k( 62) = ( 0.4013158 -0.2316998 0.3276730), wk = 0.0020040 k( 63) = ( 0.4078947 -0.2354981 0.3330447), wk = 0.0020040 k( 64) = ( 0.4144737 -0.2392965 0.3384163), wk = 0.0020040 k( 65) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0020040 k( 66) = ( 0.4276316 -0.2468932 0.3491597), wk = 0.0020040 k( 67) = ( 0.4342105 -0.2506916 0.3545314), wk = 0.0020040 k( 68) = ( 0.4407895 -0.2544899 0.3599031), wk = 0.0020040 k( 69) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0020040 k( 70) = ( 0.4539474 -0.2620866 0.3706465), wk = 0.0020040 k( 71) = ( 0.4605263 -0.2658850 0.3760182), wk = 0.0020040 k( 72) = ( 0.4671053 -0.2696833 0.3813898), wk = 0.0020040 k( 73) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0020040 k( 74) = ( 0.4802632 -0.2772801 0.3921332), wk = 0.0020040 k( 75) = ( 0.4868421 -0.2810784 0.3975049), wk = 0.0020040 k( 76) = ( 0.4934211 -0.2848768 0.4028766), wk = 0.0020040 k( 77) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020040 k( 78) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020040 k( 79) = ( 0.5000000 -0.2810784 0.4136200), wk = 0.0020040 k( 80) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0020040 k( 81) = ( 0.5000000 -0.2658850 0.4243634), wk = 0.0020040 k( 82) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0020040 k( 83) = ( 0.5000000 -0.2506916 0.4351067), wk = 0.0020040 k( 84) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0020040 k( 85) = ( 0.5000000 -0.2354981 0.4458501), wk = 0.0020040 k( 86) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0020040 k( 87) = ( 0.5000000 -0.2203047 0.4565935), wk = 0.0020040 k( 88) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0020040 k( 89) = ( 0.5000000 -0.2051113 0.4673369), wk = 0.0020040 k( 90) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0020040 k( 91) = ( 0.5000000 -0.1899178 0.4780802), wk = 0.0020040 k( 92) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0020040 k( 93) = ( 0.5000000 -0.1747244 0.4888236), wk = 0.0020040 k( 94) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0020040 k( 95) = ( 0.5000000 -0.1595310 0.4995670), wk = 0.0020040 k( 96) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0020040 k( 97) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0020040 k( 98) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0020040 k( 99) = ( 0.5000000 -0.1291441 0.5210537), wk = 0.0020040 k( 100) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0020040 k( 101) = ( 0.5000000 -0.1139507 0.5317971), wk = 0.0020040 k( 102) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0020040 k( 103) = ( 0.5000000 -0.0987573 0.5425405), wk = 0.0020040 k( 104) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0020040 k( 105) = ( 0.5000000 -0.0835639 0.5532839), wk = 0.0020040 k( 106) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0020040 k( 107) = ( 0.5000000 -0.0683704 0.5640272), wk = 0.0020040 k( 108) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0020040 k( 109) = ( 0.5000000 -0.0531770 0.5747706), wk = 0.0020040 k( 110) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0020040 k( 111) = ( 0.5000000 -0.0379836 0.5855140), wk = 0.0020040 k( 112) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0020040 k( 113) = ( 0.5000000 -0.0227901 0.5962574), wk = 0.0020040 k( 114) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0020040 k( 115) = ( 0.5000000 -0.0075967 0.6070007), wk = 0.0020040 k( 116) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020040 k( 117) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020040 k( 118) = ( 0.4953704 0.0080188 0.6123724), wk = 0.0020040 k( 119) = ( 0.4907407 0.0160375 0.6123724), wk = 0.0020040 k( 120) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0020040 k( 121) = ( 0.4814815 0.0320750 0.6123724), wk = 0.0020040 k( 122) = ( 0.4768519 0.0400938 0.6123724), wk = 0.0020040 k( 123) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0020040 k( 124) = ( 0.4675926 0.0561313 0.6123724), wk = 0.0020040 k( 125) = ( 0.4629630 0.0641500 0.6123724), wk = 0.0020040 k( 126) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0020040 k( 127) = ( 0.4537037 0.0801875 0.6123724), wk = 0.0020040 k( 128) = ( 0.4490741 0.0882063 0.6123724), wk = 0.0020040 k( 129) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0020040 k( 130) = ( 0.4398148 0.1042438 0.6123724), wk = 0.0020040 k( 131) = ( 0.4351852 0.1122625 0.6123724), wk = 0.0020040 k( 132) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0020040 k( 133) = ( 0.4259259 0.1283001 0.6123724), wk = 0.0020040 k( 134) = ( 0.4212963 0.1363188 0.6123724), wk = 0.0020040 k( 135) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0020040 k( 136) = ( 0.4120370 0.1523563 0.6123724), wk = 0.0020040 k( 137) = ( 0.4074074 0.1603751 0.6123724), wk = 0.0020040 k( 138) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0020040 k( 139) = ( 0.3981481 0.1764126 0.6123724), wk = 0.0020040 k( 140) = ( 0.3935185 0.1844313 0.6123724), wk = 0.0020040 k( 141) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0020040 k( 142) = ( 0.3842593 0.2004688 0.6123724), wk = 0.0020040 k( 143) = ( 0.3796296 0.2084876 0.6123724), wk = 0.0020040 k( 144) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020040 k( 145) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020040 k( 146) = ( 0.3703125 0.2138000 0.6047178), wk = 0.0020040 k( 147) = ( 0.3656250 0.2110937 0.5970631), wk = 0.0020040 k( 148) = ( 0.3609375 0.2083874 0.5894085), wk = 0.0020040 k( 149) = ( 0.3562500 0.2056810 0.5817538), wk = 0.0020040 k( 150) = ( 0.3515625 0.2029747 0.5740992), wk = 0.0020040 k( 151) = ( 0.3468750 0.2002684 0.5664445), wk = 0.0020040 k( 152) = ( 0.3421875 0.1975620 0.5587898), wk = 0.0020040 k( 153) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0020040 k( 154) = ( 0.3328125 0.1921494 0.5434805), wk = 0.0020040 k( 155) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0020040 k( 156) = ( 0.3234375 0.1867367 0.5281712), wk = 0.0020040 k( 157) = ( 0.3187500 0.1840304 0.5205166), wk = 0.0020040 k( 158) = ( 0.3140625 0.1813241 0.5128619), wk = 0.0020040 k( 159) = ( 0.3093750 0.1786177 0.5052073), wk = 0.0020040 k( 160) = ( 0.3046875 0.1759114 0.4975526), wk = 0.0020040 k( 161) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0020040 k( 162) = ( 0.2953125 0.1704988 0.4822433), wk = 0.0020040 k( 163) = ( 0.2906250 0.1677924 0.4745886), wk = 0.0020040 k( 164) = ( 0.2859375 0.1650861 0.4669340), wk = 0.0020040 k( 165) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0020040 k( 166) = ( 0.2765625 0.1596734 0.4516247), wk = 0.0020040 k( 167) = ( 0.2718750 0.1569671 0.4439700), wk = 0.0020040 k( 168) = ( 0.2671875 0.1542608 0.4363154), wk = 0.0020040 k( 169) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0020040 k( 170) = ( 0.2578125 0.1488481 0.4210060), wk = 0.0020040 k( 171) = ( 0.2531250 0.1461418 0.4133514), wk = 0.0020040 k( 172) = ( 0.2484375 0.1434355 0.4056967), wk = 0.0020040 k( 173) = ( 0.2437500 0.1407291 0.3980421), wk = 0.0020040 k( 174) = ( 0.2390625 0.1380228 0.3903874), wk = 0.0020040 k( 175) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0020040 k( 176) = ( 0.2296875 0.1326101 0.3750781), wk = 0.0020040 k( 177) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0020040 k( 178) = ( 0.2203125 0.1271975 0.3597688), wk = 0.0020040 k( 179) = ( 0.2156250 0.1244912 0.3521142), wk = 0.0020040 k( 180) = ( 0.2109375 0.1217848 0.3444595), wk = 0.0020040 k( 181) = ( 0.2062500 0.1190785 0.3368048), wk = 0.0020040 k( 182) = ( 0.2015625 0.1163722 0.3291502), wk = 0.0020040 k( 183) = ( 0.1968750 0.1136658 0.3214955), wk = 0.0020040 k( 184) = ( 0.1921875 0.1109595 0.3138409), wk = 0.0020040 k( 185) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0020040 k( 186) = ( 0.1828125 0.1055468 0.2985316), wk = 0.0020040 k( 187) = ( 0.1781250 0.1028405 0.2908769), wk = 0.0020040 k( 188) = ( 0.1734375 0.1001342 0.2832223), wk = 0.0020040 k( 189) = ( 0.1687500 0.0974279 0.2755676), wk = 0.0020040 k( 190) = ( 0.1640625 0.0947215 0.2679129), wk = 0.0020040 k( 191) = ( 0.1593750 0.0920152 0.2602583), wk = 0.0020040 k( 192) = ( 0.1546875 0.0893089 0.2526036), wk = 0.0020040 k( 193) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0020040 k( 194) = ( 0.1453125 0.0838962 0.2372943), wk = 0.0020040 k( 195) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0020040 k( 196) = ( 0.1359375 0.0784836 0.2219850), wk = 0.0020040 k( 197) = ( 0.1312500 0.0757772 0.2143304), wk = 0.0020040 k( 198) = ( 0.1265625 0.0730709 0.2066757), wk = 0.0020040 k( 199) = ( 0.1218750 0.0703646 0.1990210), wk = 0.0020040 k( 200) = ( 0.1171875 0.0676582 0.1913664), wk = 0.0020040 k( 201) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0020040 k( 202) = ( 0.1078125 0.0622456 0.1760571), wk = 0.0020040 k( 203) = ( 0.1031250 0.0595392 0.1684024), wk = 0.0020040 k( 204) = ( 0.0984375 0.0568329 0.1607478), wk = 0.0020040 k( 205) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0020040 k( 206) = ( 0.0890625 0.0514203 0.1454385), wk = 0.0020040 k( 207) = ( 0.0843750 0.0487139 0.1377838), wk = 0.0020040 k( 208) = ( 0.0796875 0.0460076 0.1301291), wk = 0.0020040 k( 209) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0020040 k( 210) = ( 0.0703125 0.0405949 0.1148198), wk = 0.0020040 k( 211) = ( 0.0656250 0.0378886 0.1071652), wk = 0.0020040 k( 212) = ( 0.0609375 0.0351823 0.0995105), wk = 0.0020040 k( 213) = ( 0.0562500 0.0324760 0.0918559), wk = 0.0020040 k( 214) = ( 0.0515625 0.0297696 0.0842012), wk = 0.0020040 k( 215) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0020040 k( 216) = ( 0.0421875 0.0243570 0.0688919), wk = 0.0020040 k( 217) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0020040 k( 218) = ( 0.0328125 0.0189443 0.0535826), wk = 0.0020040 k( 219) = ( 0.0281250 0.0162380 0.0459279), wk = 0.0020040 k( 220) = ( 0.0234375 0.0135316 0.0382733), wk = 0.0020040 k( 221) = ( 0.0187500 0.0108253 0.0306186), wk = 0.0020040 k( 222) = ( 0.0140625 0.0081190 0.0229640), wk = 0.0020040 k( 223) = ( 0.0093750 0.0054127 0.0153093), wk = 0.0020040 k( 224) = ( 0.0046875 0.0027063 0.0076547), wk = 0.0020040 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 227) = ( 0.0075758 0.0043739 0.0030928), wk = 0.0020040 k( 228) = ( 0.0151515 0.0087477 0.0061856), wk = 0.0020040 k( 229) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0020040 k( 230) = ( 0.0303030 0.0174955 0.0123712), wk = 0.0020040 k( 231) = ( 0.0378788 0.0218693 0.0154640), wk = 0.0020040 k( 232) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0020040 k( 233) = ( 0.0530303 0.0306171 0.0216495), wk = 0.0020040 k( 234) = ( 0.0606061 0.0349909 0.0247423), wk = 0.0020040 k( 235) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0020040 k( 236) = ( 0.0757576 0.0437387 0.0309279), wk = 0.0020040 k( 237) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0020040 k( 238) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0020040 k( 239) = ( 0.0984848 0.0568603 0.0402063), wk = 0.0020040 k( 240) = ( 0.1060606 0.0612341 0.0432991), wk = 0.0020040 k( 241) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0020040 k( 242) = ( 0.1212121 0.0699819 0.0494846), wk = 0.0020040 k( 243) = ( 0.1287879 0.0743557 0.0525774), wk = 0.0020040 k( 244) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0020040 k( 245) = ( 0.1439394 0.0831034 0.0587630), wk = 0.0020040 k( 246) = ( 0.1515151 0.0874773 0.0618558), wk = 0.0020040 k( 247) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0020040 k( 248) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0020040 k( 249) = ( 0.1742424 0.1005989 0.0711342), wk = 0.0020040 k( 250) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0020040 k( 251) = ( 0.1893939 0.1093466 0.0773198), wk = 0.0020040 k( 252) = ( 0.1969697 0.1137205 0.0804125), wk = 0.0020040 k( 253) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0020040 k( 254) = ( 0.2121212 0.1224682 0.0865981), wk = 0.0020040 k( 255) = ( 0.2196970 0.1268421 0.0896909), wk = 0.0020040 k( 256) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0020040 k( 257) = ( 0.2348485 0.1355898 0.0958765), wk = 0.0020040 k( 258) = ( 0.2424242 0.1399637 0.0989693), wk = 0.0020040 k( 259) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0020040 k( 260) = ( 0.2575758 0.1487114 0.1051549), wk = 0.0020040 k( 261) = ( 0.2651515 0.1530853 0.1082477), wk = 0.0020040 k( 262) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0020040 k( 263) = ( 0.2803030 0.1618330 0.1144332), wk = 0.0020040 k( 264) = ( 0.2878788 0.1662069 0.1175260), wk = 0.0020040 k( 265) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0020040 k( 266) = ( 0.3030303 0.1749546 0.1237116), wk = 0.0020040 k( 267) = ( 0.3106061 0.1793285 0.1268044), wk = 0.0020040 k( 268) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0020040 k( 269) = ( 0.3257576 0.1880762 0.1329900), wk = 0.0020040 k( 270) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0020040 k( 271) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0020040 k( 272) = ( 0.3484849 0.2011978 0.1422683), wk = 0.0020040 k( 273) = ( 0.3560606 0.2055717 0.1453611), wk = 0.0020040 k( 274) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0020040 k( 275) = ( 0.3712121 0.2143194 0.1515467), wk = 0.0020040 k( 276) = ( 0.3787879 0.2186933 0.1546395), wk = 0.0020040 k( 277) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0020040 k( 278) = ( 0.3939394 0.2274410 0.1608251), wk = 0.0020040 k( 279) = ( 0.4015151 0.2318149 0.1639179), wk = 0.0020040 k( 280) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0020040 k( 281) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0020040 k( 282) = ( 0.4242424 0.2449365 0.1731962), wk = 0.0020040 k( 283) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0020040 k( 284) = ( 0.4393939 0.2536842 0.1793818), wk = 0.0020040 k( 285) = ( 0.4469697 0.2580581 0.1824746), wk = 0.0020040 k( 286) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0020040 k( 287) = ( 0.4621212 0.2668058 0.1886602), wk = 0.0020040 k( 288) = ( 0.4696970 0.2711797 0.1917530), wk = 0.0020040 k( 289) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0020040 k( 290) = ( 0.4848485 0.2799274 0.1979386), wk = 0.0020040 k( 291) = ( 0.4924242 0.2843013 0.2010314), wk = 0.0020040 k( 292) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020040 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020040 k( 294) = ( 0.5026596 0.2809976 0.2084672), wk = 0.0020040 k( 295) = ( 0.5053192 0.2733201 0.2128103), wk = 0.0020040 k( 296) = ( 0.5079787 0.2656425 0.2171533), wk = 0.0020040 k( 297) = ( 0.5106383 0.2579650 0.2214964), wk = 0.0020040 k( 298) = ( 0.5132979 0.2502875 0.2258395), wk = 0.0020040 k( 299) = ( 0.5159575 0.2426100 0.2301825), wk = 0.0020040 k( 300) = ( 0.5186170 0.2349324 0.2345256), wk = 0.0020040 k( 301) = ( 0.5212766 0.2272549 0.2388687), wk = 0.0020040 k( 302) = ( 0.5239362 0.2195774 0.2432117), wk = 0.0020040 k( 303) = ( 0.5265957 0.2118998 0.2475548), wk = 0.0020040 k( 304) = ( 0.5292553 0.2042223 0.2518979), wk = 0.0020040 k( 305) = ( 0.5319149 0.1965448 0.2562409), wk = 0.0020040 k( 306) = ( 0.5345745 0.1888672 0.2605840), wk = 0.0020040 k( 307) = ( 0.5372340 0.1811897 0.2649271), wk = 0.0020040 k( 308) = ( 0.5398936 0.1735122 0.2692701), wk = 0.0020040 k( 309) = ( 0.5425532 0.1658347 0.2736132), wk = 0.0020040 k( 310) = ( 0.5452128 0.1581571 0.2779563), wk = 0.0020040 k( 311) = ( 0.5478723 0.1504796 0.2822993), wk = 0.0020040 k( 312) = ( 0.5505319 0.1428021 0.2866424), wk = 0.0020040 k( 313) = ( 0.5531915 0.1351245 0.2909855), wk = 0.0020040 k( 314) = ( 0.5558511 0.1274470 0.2953285), wk = 0.0020040 k( 315) = ( 0.5585106 0.1197695 0.2996716), wk = 0.0020040 k( 316) = ( 0.5611702 0.1120919 0.3040147), wk = 0.0020040 k( 317) = ( 0.5638298 0.1044144 0.3083578), wk = 0.0020040 k( 318) = ( 0.5664894 0.0967369 0.3127008), wk = 0.0020040 k( 319) = ( 0.5691489 0.0890594 0.3170439), wk = 0.0020040 k( 320) = ( 0.5718085 0.0813818 0.3213870), wk = 0.0020040 k( 321) = ( 0.5744681 0.0737043 0.3257300), wk = 0.0020040 k( 322) = ( 0.5771277 0.0660268 0.3300731), wk = 0.0020040 k( 323) = ( 0.5797872 0.0583492 0.3344162), wk = 0.0020040 k( 324) = ( 0.5824468 0.0506717 0.3387592), wk = 0.0020040 k( 325) = ( 0.5851064 0.0429942 0.3431023), wk = 0.0020040 k( 326) = ( 0.5877660 0.0353166 0.3474454), wk = 0.0020040 k( 327) = ( 0.5904255 0.0276391 0.3517884), wk = 0.0020040 k( 328) = ( 0.5930851 0.0199616 0.3561315), wk = 0.0020040 k( 329) = ( 0.5957447 0.0122841 0.3604746), wk = 0.0020040 k( 330) = ( 0.5984043 0.0046065 0.3648176), wk = 0.0020040 k( 331) = ( 0.6010638 -0.0030710 0.3691607), wk = 0.0020040 k( 332) = ( 0.6037234 -0.0107485 0.3735038), wk = 0.0020040 k( 333) = ( 0.6063830 -0.0184261 0.3778468), wk = 0.0020040 k( 334) = ( 0.6090425 -0.0261036 0.3821899), wk = 0.0020040 k( 335) = ( 0.6117021 -0.0337811 0.3865330), wk = 0.0020040 k( 336) = ( 0.6143617 -0.0414587 0.3908760), wk = 0.0020040 k( 337) = ( 0.6170213 -0.0491362 0.3952191), wk = 0.0020040 k( 338) = ( 0.6196808 -0.0568137 0.3995622), wk = 0.0020040 k( 339) = ( 0.6223404 -0.0644913 0.4039052), wk = 0.0020040 k( 340) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020040 k( 341) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020040 k( 342) = ( 0.6203704 -0.0694959 0.4158084), wk = 0.0020040 k( 343) = ( 0.6157407 -0.0668229 0.4233686), wk = 0.0020040 k( 344) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0020040 k( 345) = ( 0.6064815 -0.0614771 0.4384889), wk = 0.0020040 k( 346) = ( 0.6018518 -0.0588042 0.4460491), wk = 0.0020040 k( 347) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0020040 k( 348) = ( 0.5925926 -0.0534584 0.4611694), wk = 0.0020040 k( 349) = ( 0.5879630 -0.0507854 0.4687295), wk = 0.0020040 k( 350) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0020040 k( 351) = ( 0.5787037 -0.0454396 0.4838498), wk = 0.0020040 k( 352) = ( 0.5740741 -0.0427667 0.4914100), wk = 0.0020040 k( 353) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0020040 k( 354) = ( 0.5648148 -0.0374208 0.5065303), wk = 0.0020040 k( 355) = ( 0.5601852 -0.0347479 0.5140904), wk = 0.0020040 k( 356) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0020040 k( 357) = ( 0.5509259 -0.0294021 0.5292107), wk = 0.0020040 k( 358) = ( 0.5462963 -0.0267292 0.5367709), wk = 0.0020040 k( 359) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0020040 k( 360) = ( 0.5370370 -0.0213833 0.5518912), wk = 0.0020040 k( 361) = ( 0.5324074 -0.0187104 0.5594514), wk = 0.0020040 k( 362) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0020040 k( 363) = ( 0.5231482 -0.0133646 0.5745717), wk = 0.0020040 k( 364) = ( 0.5185185 -0.0106917 0.5821318), wk = 0.0020040 k( 365) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0020040 k( 366) = ( 0.5092593 -0.0053458 0.5972521), wk = 0.0020040 k( 367) = ( 0.5046296 -0.0026729 0.6048123), wk = 0.0020040 k( 368) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020040 k( 369) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020040 k( 370) = ( 0.5000000 0.0053458 0.6048123), wk = 0.0020040 k( 371) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0020040 k( 372) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0020040 k( 373) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0020040 k( 374) = ( 0.5000000 0.0267292 0.5745717), wk = 0.0020040 k( 375) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0020040 k( 376) = ( 0.5000000 0.0374209 0.5594514), wk = 0.0020040 k( 377) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0020040 k( 378) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0020040 k( 379) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0020040 k( 380) = ( 0.5000000 0.0588042 0.5292107), wk = 0.0020040 k( 381) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0020040 k( 382) = ( 0.5000000 0.0694959 0.5140904), wk = 0.0020040 k( 383) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0020040 k( 384) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0020040 k( 385) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0020040 k( 386) = ( 0.5000000 0.0908792 0.4838498), wk = 0.0020040 k( 387) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0020040 k( 388) = ( 0.5000000 0.1015709 0.4687295), wk = 0.0020040 k( 389) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0020040 k( 390) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0020040 k( 391) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0020040 k( 392) = ( 0.5000000 0.1229542 0.4384889), wk = 0.0020040 k( 393) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0020040 k( 394) = ( 0.5000000 0.1336459 0.4233686), wk = 0.0020040 k( 395) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0020040 k( 396) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0020040 k( 397) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0020040 k( 398) = ( 0.5000000 0.1550292 0.3931280), wk = 0.0020040 k( 399) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0020040 k( 400) = ( 0.5000000 0.1657209 0.3780077), wk = 0.0020040 k( 401) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0020040 k( 402) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0020040 k( 403) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0020040 k( 404) = ( 0.5000000 0.1871043 0.3477671), wk = 0.0020040 k( 405) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0020040 k( 406) = ( 0.5000000 0.1977959 0.3326467), wk = 0.0020040 k( 407) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0020040 k( 408) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0020040 k( 409) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0020040 k( 410) = ( 0.5000000 0.2191793 0.3024061), wk = 0.0020040 k( 411) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0020040 k( 412) = ( 0.5000000 0.2298709 0.2872858), wk = 0.0020040 k( 413) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0020040 k( 414) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0020040 k( 415) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0020040 k( 416) = ( 0.5000000 0.2512543 0.2570452), wk = 0.0020040 k( 417) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0020040 k( 418) = ( 0.5000000 0.2619460 0.2419249), wk = 0.0020040 k( 419) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0020040 k( 420) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0020040 k( 421) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0020040 k( 422) = ( 0.5000000 0.2833293 0.2116843), wk = 0.0020040 k( 423) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020040 k( 424) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020040 k( 425) = ( 0.4973404 0.2871396 0.2128103), wk = 0.0020040 k( 426) = ( 0.4946809 0.2856041 0.2214964), wk = 0.0020040 k( 427) = ( 0.4920213 0.2840686 0.2301825), wk = 0.0020040 k( 428) = ( 0.4893617 0.2825331 0.2388687), wk = 0.0020040 k( 429) = ( 0.4867021 0.2809976 0.2475548), wk = 0.0020040 k( 430) = ( 0.4840426 0.2794621 0.2562409), wk = 0.0020040 k( 431) = ( 0.4813830 0.2779266 0.2649271), wk = 0.0020040 k( 432) = ( 0.4787234 0.2763911 0.2736132), wk = 0.0020040 k( 433) = ( 0.4760638 0.2748556 0.2822993), wk = 0.0020040 k( 434) = ( 0.4734043 0.2733201 0.2909855), wk = 0.0020040 k( 435) = ( 0.4707447 0.2717846 0.2996716), wk = 0.0020040 k( 436) = ( 0.4680851 0.2702491 0.3083578), wk = 0.0020040 k( 437) = ( 0.4654255 0.2687136 0.3170439), wk = 0.0020040 k( 438) = ( 0.4627660 0.2671781 0.3257300), wk = 0.0020040 k( 439) = ( 0.4601064 0.2656425 0.3344162), wk = 0.0020040 k( 440) = ( 0.4574468 0.2641070 0.3431023), wk = 0.0020040 k( 441) = ( 0.4547872 0.2625715 0.3517884), wk = 0.0020040 k( 442) = ( 0.4521277 0.2610360 0.3604746), wk = 0.0020040 k( 443) = ( 0.4494681 0.2595005 0.3691607), wk = 0.0020040 k( 444) = ( 0.4468085 0.2579650 0.3778468), wk = 0.0020040 k( 445) = ( 0.4441489 0.2564295 0.3865330), wk = 0.0020040 k( 446) = ( 0.4414894 0.2548940 0.3952191), wk = 0.0020040 k( 447) = ( 0.4388298 0.2533585 0.4039052), wk = 0.0020040 k( 448) = ( 0.4361702 0.2518230 0.4125914), wk = 0.0020040 k( 449) = ( 0.4335106 0.2502875 0.4212775), wk = 0.0020040 k( 450) = ( 0.4308511 0.2487520 0.4299636), wk = 0.0020040 k( 451) = ( 0.4281915 0.2472165 0.4386498), wk = 0.0020040 k( 452) = ( 0.4255319 0.2456810 0.4473359), wk = 0.0020040 k( 453) = ( 0.4228723 0.2441455 0.4560220), wk = 0.0020040 k( 454) = ( 0.4202128 0.2426100 0.4647082), wk = 0.0020040 k( 455) = ( 0.4175532 0.2410744 0.4733943), wk = 0.0020040 k( 456) = ( 0.4148936 0.2395389 0.4820804), wk = 0.0020040 k( 457) = ( 0.4122340 0.2380034 0.4907666), wk = 0.0020040 k( 458) = ( 0.4095745 0.2364679 0.4994527), wk = 0.0020040 k( 459) = ( 0.4069149 0.2349324 0.5081388), wk = 0.0020040 k( 460) = ( 0.4042553 0.2333969 0.5168250), wk = 0.0020040 k( 461) = ( 0.4015957 0.2318614 0.5255111), wk = 0.0020040 k( 462) = ( 0.3989362 0.2303259 0.5341972), wk = 0.0020040 k( 463) = ( 0.3962766 0.2287904 0.5428834), wk = 0.0020040 k( 464) = ( 0.3936170 0.2272549 0.5515695), wk = 0.0020040 k( 465) = ( 0.3909574 0.2257194 0.5602556), wk = 0.0020040 k( 466) = ( 0.3882979 0.2241839 0.5689418), wk = 0.0020040 k( 467) = ( 0.3856383 0.2226484 0.5776279), wk = 0.0020040 k( 468) = ( 0.3829787 0.2211129 0.5863140), wk = 0.0020040 k( 469) = ( 0.3803191 0.2195774 0.5950002), wk = 0.0020040 k( 470) = ( 0.3776596 0.2180419 0.6036863), wk = 0.0020040 k( 471) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020040 k( 472) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020040 k( 473) = ( 0.6203704 -0.0801875 0.4082483), wk = 0.0020040 k( 474) = ( 0.6157407 -0.0882063 0.4082483), wk = 0.0020040 k( 475) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0020040 k( 476) = ( 0.6064815 -0.1042438 0.4082483), wk = 0.0020040 k( 477) = ( 0.6018518 -0.1122626 0.4082483), wk = 0.0020040 k( 478) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0020040 k( 479) = ( 0.5925926 -0.1283001 0.4082483), wk = 0.0020040 k( 480) = ( 0.5879630 -0.1363188 0.4082483), wk = 0.0020040 k( 481) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0020040 k( 482) = ( 0.5787037 -0.1523563 0.4082483), wk = 0.0020040 k( 483) = ( 0.5740741 -0.1603751 0.4082483), wk = 0.0020040 k( 484) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0020040 k( 485) = ( 0.5648148 -0.1764126 0.4082483), wk = 0.0020040 k( 486) = ( 0.5601852 -0.1844313 0.4082483), wk = 0.0020040 k( 487) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0020040 k( 488) = ( 0.5509259 -0.2004688 0.4082483), wk = 0.0020040 k( 489) = ( 0.5462963 -0.2084876 0.4082483), wk = 0.0020040 k( 490) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0020040 k( 491) = ( 0.5370370 -0.2245251 0.4082483), wk = 0.0020040 k( 492) = ( 0.5324074 -0.2325439 0.4082483), wk = 0.0020040 k( 493) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0020040 k( 494) = ( 0.5231482 -0.2485814 0.4082483), wk = 0.0020040 k( 495) = ( 0.5185185 -0.2566001 0.4082483), wk = 0.0020040 k( 496) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0020040 k( 497) = ( 0.5092593 -0.2726376 0.4082483), wk = 0.0020040 k( 498) = ( 0.5046296 -0.2806564 0.4082483), wk = 0.0020040 k( 499) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020040 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 2) = ( 0.0065790 0.0000000 0.0065790), wk = 0.0020040 k( 3) = ( 0.0131579 0.0000000 0.0131579), wk = 0.0020040 k( 4) = ( 0.0197368 0.0000000 0.0197368), wk = 0.0020040 k( 5) = ( 0.0263158 0.0000000 0.0263158), wk = 0.0020040 k( 6) = ( 0.0328947 0.0000000 0.0328947), wk = 0.0020040 k( 7) = ( 0.0394737 0.0000000 0.0394737), wk = 0.0020040 k( 8) = ( 0.0460526 -0.0000000 0.0460526), wk = 0.0020040 k( 9) = ( 0.0526316 0.0000000 0.0526316), wk = 0.0020040 k( 10) = ( 0.0592105 0.0000000 0.0592105), wk = 0.0020040 k( 11) = ( 0.0657895 0.0000000 0.0657895), wk = 0.0020040 k( 12) = ( 0.0723684 0.0000000 0.0723684), wk = 0.0020040 k( 13) = ( 0.0789474 0.0000000 0.0789474), wk = 0.0020040 k( 14) = ( 0.0855263 0.0000000 0.0855263), wk = 0.0020040 k( 15) = ( 0.0921053 -0.0000000 0.0921053), wk = 0.0020040 k( 16) = ( 0.0986842 0.0000000 0.0986842), wk = 0.0020040 k( 17) = ( 0.1052632 0.0000000 0.1052632), wk = 0.0020040 k( 18) = ( 0.1118421 0.0000000 0.1118421), wk = 0.0020040 k( 19) = ( 0.1184210 0.0000000 0.1184210), wk = 0.0020040 k( 20) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0020040 k( 21) = ( 0.1315790 0.0000000 0.1315789), wk = 0.0020040 k( 22) = ( 0.1381579 0.0000000 0.1381579), wk = 0.0020040 k( 23) = ( 0.1447368 0.0000000 0.1447368), wk = 0.0020040 k( 24) = ( 0.1513158 0.0000000 0.1513158), wk = 0.0020040 k( 25) = ( 0.1578947 0.0000000 0.1578947), wk = 0.0020040 k( 26) = ( 0.1644737 0.0000000 0.1644737), wk = 0.0020040 k( 27) = ( 0.1710526 0.0000000 0.1710526), wk = 0.0020040 k( 28) = ( 0.1776316 0.0000000 0.1776316), wk = 0.0020040 k( 29) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0020040 k( 30) = ( 0.1907895 0.0000000 0.1907895), wk = 0.0020040 k( 31) = ( 0.1973684 0.0000000 0.1973684), wk = 0.0020040 k( 32) = ( 0.2039474 0.0000000 0.2039474), wk = 0.0020040 k( 33) = ( 0.2105263 0.0000000 0.2105263), wk = 0.0020040 k( 34) = ( 0.2171053 0.0000000 0.2171053), wk = 0.0020040 k( 35) = ( 0.2236842 0.0000000 0.2236842), wk = 0.0020040 k( 36) = ( 0.2302632 0.0000000 0.2302632), wk = 0.0020040 k( 37) = ( 0.2368421 0.0000000 0.2368421), wk = 0.0020040 k( 38) = ( 0.2434210 0.0000000 0.2434210), wk = 0.0020040 k( 39) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020040 k( 40) = ( 0.2565789 0.0000000 0.2565789), wk = 0.0020040 k( 41) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0020040 k( 42) = ( 0.2697368 0.0000000 0.2697368), wk = 0.0020040 k( 43) = ( 0.2763158 0.0000000 0.2763158), wk = 0.0020040 k( 44) = ( 0.2828947 0.0000000 0.2828947), wk = 0.0020040 k( 45) = ( 0.2894737 0.0000000 0.2894737), wk = 0.0020040 k( 46) = ( 0.2960526 0.0000000 0.2960526), wk = 0.0020040 k( 47) = ( 0.3026316 0.0000000 0.3026316), wk = 0.0020040 k( 48) = ( 0.3092105 0.0000000 0.3092105), wk = 0.0020040 k( 49) = ( 0.3157895 0.0000000 0.3157895), wk = 0.0020040 k( 50) = ( 0.3223684 -0.0000000 0.3223684), wk = 0.0020040 k( 51) = ( 0.3289474 0.0000000 0.3289474), wk = 0.0020040 k( 52) = ( 0.3355263 0.0000000 0.3355263), wk = 0.0020040 k( 53) = ( 0.3421053 0.0000000 0.3421053), wk = 0.0020040 k( 54) = ( 0.3486842 -0.0000000 0.3486842), wk = 0.0020040 k( 55) = ( 0.3552632 0.0000000 0.3552632), wk = 0.0020040 k( 56) = ( 0.3618421 0.0000000 0.3618421), wk = 0.0020040 k( 57) = ( 0.3684211 0.0000000 0.3684210), wk = 0.0020040 k( 58) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0020040 k( 59) = ( 0.3815789 0.0000000 0.3815789), wk = 0.0020040 k( 60) = ( 0.3881579 0.0000000 0.3881579), wk = 0.0020040 k( 61) = ( 0.3947368 0.0000000 0.3947368), wk = 0.0020040 k( 62) = ( 0.4013158 0.0000000 0.4013158), wk = 0.0020040 k( 63) = ( 0.4078947 0.0000000 0.4078947), wk = 0.0020040 k( 64) = ( 0.4144737 0.0000000 0.4144737), wk = 0.0020040 k( 65) = ( 0.4210526 0.0000000 0.4210526), wk = 0.0020040 k( 66) = ( 0.4276316 0.0000000 0.4276316), wk = 0.0020040 k( 67) = ( 0.4342105 0.0000000 0.4342105), wk = 0.0020040 k( 68) = ( 0.4407895 0.0000000 0.4407895), wk = 0.0020040 k( 69) = ( 0.4473684 0.0000000 0.4473684), wk = 0.0020040 k( 70) = ( 0.4539474 0.0000000 0.4539474), wk = 0.0020040 k( 71) = ( 0.4605263 0.0000000 0.4605263), wk = 0.0020040 k( 72) = ( 0.4671053 0.0000000 0.4671053), wk = 0.0020040 k( 73) = ( 0.4736842 -0.0000000 0.4736842), wk = 0.0020040 k( 74) = ( 0.4802632 0.0000000 0.4802632), wk = 0.0020040 k( 75) = ( 0.4868421 0.0000000 0.4868421), wk = 0.0020040 k( 76) = ( 0.4934211 0.0000000 0.4934211), wk = 0.0020040 k( 77) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020040 k( 78) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020040 k( 79) = ( 0.5000000 0.0065790 0.5065789), wk = 0.0020040 k( 80) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0020040 k( 81) = ( 0.5000000 0.0197368 0.5197368), wk = 0.0020040 k( 82) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0020040 k( 83) = ( 0.5000000 0.0328947 0.5328947), wk = 0.0020040 k( 84) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0020040 k( 85) = ( 0.5000000 0.0460526 0.5460526), wk = 0.0020040 k( 86) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0020040 k( 87) = ( 0.5000000 0.0592105 0.5592105), wk = 0.0020040 k( 88) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0020040 k( 89) = ( 0.5000000 0.0723684 0.5723684), wk = 0.0020040 k( 90) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0020040 k( 91) = ( 0.5000000 0.0855263 0.5855263), wk = 0.0020040 k( 92) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0020040 k( 93) = ( 0.5000000 0.0986842 0.5986842), wk = 0.0020040 k( 94) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0020040 k( 95) = ( 0.5000000 0.1118421 0.6118421), wk = 0.0020040 k( 96) = ( 0.5000000 0.1184210 0.6184210), wk = 0.0020040 k( 97) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0020040 k( 98) = ( 0.5000000 0.1315790 0.6315789), wk = 0.0020040 k( 99) = ( 0.5000000 0.1381579 0.6381579), wk = 0.0020040 k( 100) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0020040 k( 101) = ( 0.5000000 0.1513158 0.6513158), wk = 0.0020040 k( 102) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0020040 k( 103) = ( 0.5000000 0.1644737 0.6644737), wk = 0.0020040 k( 104) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0020040 k( 105) = ( 0.5000000 0.1776316 0.6776316), wk = 0.0020040 k( 106) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0020040 k( 107) = ( 0.5000000 0.1907895 0.6907895), wk = 0.0020040 k( 108) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0020040 k( 109) = ( 0.5000000 0.2039474 0.7039474), wk = 0.0020040 k( 110) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0020040 k( 111) = ( 0.5000000 0.2171053 0.7171053), wk = 0.0020040 k( 112) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0020040 k( 113) = ( 0.5000000 0.2302632 0.7302632), wk = 0.0020040 k( 114) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0020040 k( 115) = ( 0.5000000 0.2434210 0.7434211), wk = 0.0020040 k( 116) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020040 k( 117) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020040 k( 118) = ( 0.4953704 0.2546296 0.7500000), wk = 0.0020040 k( 119) = ( 0.4907407 0.2592593 0.7500000), wk = 0.0020040 k( 120) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0020040 k( 121) = ( 0.4814815 0.2685185 0.7500000), wk = 0.0020040 k( 122) = ( 0.4768519 0.2731481 0.7500000), wk = 0.0020040 k( 123) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0020040 k( 124) = ( 0.4675926 0.2824074 0.7500000), wk = 0.0020040 k( 125) = ( 0.4629630 0.2870370 0.7500000), wk = 0.0020040 k( 126) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0020040 k( 127) = ( 0.4537037 0.2962963 0.7500000), wk = 0.0020040 k( 128) = ( 0.4490741 0.3009259 0.7500000), wk = 0.0020040 k( 129) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0020040 k( 130) = ( 0.4398148 0.3101852 0.7500000), wk = 0.0020040 k( 131) = ( 0.4351852 0.3148148 0.7500000), wk = 0.0020040 k( 132) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0020040 k( 133) = ( 0.4259259 0.3240741 0.7500000), wk = 0.0020040 k( 134) = ( 0.4212963 0.3287037 0.7500000), wk = 0.0020040 k( 135) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0020040 k( 136) = ( 0.4120370 0.3379630 0.7500000), wk = 0.0020040 k( 137) = ( 0.4074074 0.3425926 0.7500000), wk = 0.0020040 k( 138) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0020040 k( 139) = ( 0.3981481 0.3518519 0.7500000), wk = 0.0020040 k( 140) = ( 0.3935185 0.3564815 0.7500000), wk = 0.0020040 k( 141) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0020040 k( 142) = ( 0.3842593 0.3657407 0.7500000), wk = 0.0020040 k( 143) = ( 0.3796296 0.3703704 0.7500000), wk = 0.0020040 k( 144) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020040 k( 145) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020040 k( 146) = ( 0.3703125 0.3703125 0.7406250), wk = 0.0020040 k( 147) = ( 0.3656250 0.3656250 0.7312500), wk = 0.0020040 k( 148) = ( 0.3609375 0.3609375 0.7218750), wk = 0.0020040 k( 149) = ( 0.3562500 0.3562500 0.7125000), wk = 0.0020040 k( 150) = ( 0.3515625 0.3515625 0.7031250), wk = 0.0020040 k( 151) = ( 0.3468750 0.3468750 0.6937500), wk = 0.0020040 k( 152) = ( 0.3421875 0.3421875 0.6843750), wk = 0.0020040 k( 153) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0020040 k( 154) = ( 0.3328125 0.3328125 0.6656250), wk = 0.0020040 k( 155) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0020040 k( 156) = ( 0.3234375 0.3234375 0.6468750), wk = 0.0020040 k( 157) = ( 0.3187500 0.3187500 0.6375000), wk = 0.0020040 k( 158) = ( 0.3140625 0.3140625 0.6281250), wk = 0.0020040 k( 159) = ( 0.3093750 0.3093750 0.6187500), wk = 0.0020040 k( 160) = ( 0.3046875 0.3046875 0.6093750), wk = 0.0020040 k( 161) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0020040 k( 162) = ( 0.2953125 0.2953125 0.5906250), wk = 0.0020040 k( 163) = ( 0.2906250 0.2906250 0.5812500), wk = 0.0020040 k( 164) = ( 0.2859375 0.2859375 0.5718750), wk = 0.0020040 k( 165) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0020040 k( 166) = ( 0.2765625 0.2765625 0.5531250), wk = 0.0020040 k( 167) = ( 0.2718750 0.2718750 0.5437500), wk = 0.0020040 k( 168) = ( 0.2671875 0.2671875 0.5343750), wk = 0.0020040 k( 169) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0020040 k( 170) = ( 0.2578125 0.2578125 0.5156250), wk = 0.0020040 k( 171) = ( 0.2531250 0.2531250 0.5062500), wk = 0.0020040 k( 172) = ( 0.2484375 0.2484375 0.4968750), wk = 0.0020040 k( 173) = ( 0.2437500 0.2437500 0.4875000), wk = 0.0020040 k( 174) = ( 0.2390625 0.2390625 0.4781250), wk = 0.0020040 k( 175) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0020040 k( 176) = ( 0.2296875 0.2296875 0.4593750), wk = 0.0020040 k( 177) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0020040 k( 178) = ( 0.2203125 0.2203125 0.4406250), wk = 0.0020040 k( 179) = ( 0.2156250 0.2156250 0.4312500), wk = 0.0020040 k( 180) = ( 0.2109375 0.2109375 0.4218750), wk = 0.0020040 k( 181) = ( 0.2062500 0.2062500 0.4125000), wk = 0.0020040 k( 182) = ( 0.2015625 0.2015625 0.4031250), wk = 0.0020040 k( 183) = ( 0.1968750 0.1968750 0.3937500), wk = 0.0020040 k( 184) = ( 0.1921875 0.1921875 0.3843750), wk = 0.0020040 k( 185) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0020040 k( 186) = ( 0.1828125 0.1828125 0.3656250), wk = 0.0020040 k( 187) = ( 0.1781250 0.1781250 0.3562500), wk = 0.0020040 k( 188) = ( 0.1734375 0.1734375 0.3468750), wk = 0.0020040 k( 189) = ( 0.1687500 0.1687500 0.3375000), wk = 0.0020040 k( 190) = ( 0.1640625 0.1640625 0.3281250), wk = 0.0020040 k( 191) = ( 0.1593750 0.1593750 0.3187500), wk = 0.0020040 k( 192) = ( 0.1546875 0.1546875 0.3093750), wk = 0.0020040 k( 193) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0020040 k( 194) = ( 0.1453125 0.1453125 0.2906250), wk = 0.0020040 k( 195) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0020040 k( 196) = ( 0.1359375 0.1359375 0.2718750), wk = 0.0020040 k( 197) = ( 0.1312500 0.1312500 0.2625000), wk = 0.0020040 k( 198) = ( 0.1265625 0.1265625 0.2531250), wk = 0.0020040 k( 199) = ( 0.1218750 0.1218750 0.2437500), wk = 0.0020040 k( 200) = ( 0.1171875 0.1171875 0.2343750), wk = 0.0020040 k( 201) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0020040 k( 202) = ( 0.1078125 0.1078125 0.2156250), wk = 0.0020040 k( 203) = ( 0.1031250 0.1031250 0.2062500), wk = 0.0020040 k( 204) = ( 0.0984375 0.0984375 0.1968750), wk = 0.0020040 k( 205) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0020040 k( 206) = ( 0.0890625 0.0890625 0.1781250), wk = 0.0020040 k( 207) = ( 0.0843750 0.0843750 0.1687500), wk = 0.0020040 k( 208) = ( 0.0796875 0.0796875 0.1593750), wk = 0.0020040 k( 209) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0020040 k( 210) = ( 0.0703125 0.0703125 0.1406250), wk = 0.0020040 k( 211) = ( 0.0656250 0.0656250 0.1312500), wk = 0.0020040 k( 212) = ( 0.0609375 0.0609375 0.1218750), wk = 0.0020040 k( 213) = ( 0.0562500 0.0562500 0.1125000), wk = 0.0020040 k( 214) = ( 0.0515625 0.0515625 0.1031250), wk = 0.0020040 k( 215) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0020040 k( 216) = ( 0.0421875 0.0421875 0.0843750), wk = 0.0020040 k( 217) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0020040 k( 218) = ( 0.0328125 0.0328125 0.0656250), wk = 0.0020040 k( 219) = ( 0.0281250 0.0281250 0.0562500), wk = 0.0020040 k( 220) = ( 0.0234375 0.0234375 0.0468750), wk = 0.0020040 k( 221) = ( 0.0187500 0.0187500 0.0375000), wk = 0.0020040 k( 222) = ( 0.0140625 0.0140625 0.0281250), wk = 0.0020040 k( 223) = ( 0.0093750 0.0093750 0.0187500), wk = 0.0020040 k( 224) = ( 0.0046875 0.0046875 0.0093750), wk = 0.0020040 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 227) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0020040 k( 228) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0020040 k( 229) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0020040 k( 230) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0020040 k( 231) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0020040 k( 232) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0020040 k( 233) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0020040 k( 234) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0020040 k( 235) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0020040 k( 236) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0020040 k( 237) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0020040 k( 238) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0020040 k( 239) = ( 0.0984848 0.0984848 0.0984848), wk = 0.0020040 k( 240) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0020040 k( 241) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0020040 k( 242) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0020040 k( 243) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0020040 k( 244) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0020040 k( 245) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0020040 k( 246) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0020040 k( 247) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0020040 k( 248) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0020040 k( 249) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0020040 k( 250) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0020040 k( 251) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0020040 k( 252) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0020040 k( 253) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0020040 k( 254) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0020040 k( 255) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0020040 k( 256) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0020040 k( 257) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0020040 k( 258) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0020040 k( 259) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020040 k( 260) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0020040 k( 261) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0020040 k( 262) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0020040 k( 263) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0020040 k( 264) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0020040 k( 265) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0020040 k( 266) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0020040 k( 267) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0020040 k( 268) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0020040 k( 269) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0020040 k( 270) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020040 k( 271) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0020040 k( 272) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0020040 k( 273) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0020040 k( 274) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0020040 k( 275) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0020040 k( 276) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0020040 k( 277) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0020040 k( 278) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0020040 k( 279) = ( 0.4015151 0.4015151 0.4015151), wk = 0.0020040 k( 280) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0020040 k( 281) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0020040 k( 282) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0020040 k( 283) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0020040 k( 284) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0020040 k( 285) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0020040 k( 286) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0020040 k( 287) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0020040 k( 288) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0020040 k( 289) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0020040 k( 290) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0020040 k( 291) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0020040 k( 292) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020040 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020040 k( 294) = ( 0.5026596 0.4946809 0.5026596), wk = 0.0020040 k( 295) = ( 0.5053192 0.4893617 0.5053191), wk = 0.0020040 k( 296) = ( 0.5079787 0.4840426 0.5079787), wk = 0.0020040 k( 297) = ( 0.5106383 0.4787234 0.5106383), wk = 0.0020040 k( 298) = ( 0.5132979 0.4734043 0.5132979), wk = 0.0020040 k( 299) = ( 0.5159575 0.4680851 0.5159575), wk = 0.0020040 k( 300) = ( 0.5186170 0.4627660 0.5186170), wk = 0.0020040 k( 301) = ( 0.5212766 0.4574468 0.5212766), wk = 0.0020040 k( 302) = ( 0.5239362 0.4521277 0.5239362), wk = 0.0020040 k( 303) = ( 0.5265957 0.4468085 0.5265957), wk = 0.0020040 k( 304) = ( 0.5292553 0.4414894 0.5292553), wk = 0.0020040 k( 305) = ( 0.5319149 0.4361702 0.5319149), wk = 0.0020040 k( 306) = ( 0.5345745 0.4308511 0.5345745), wk = 0.0020040 k( 307) = ( 0.5372340 0.4255319 0.5372340), wk = 0.0020040 k( 308) = ( 0.5398936 0.4202128 0.5398936), wk = 0.0020040 k( 309) = ( 0.5425532 0.4148936 0.5425532), wk = 0.0020040 k( 310) = ( 0.5452128 0.4095745 0.5452128), wk = 0.0020040 k( 311) = ( 0.5478723 0.4042553 0.5478723), wk = 0.0020040 k( 312) = ( 0.5505319 0.3989362 0.5505319), wk = 0.0020040 k( 313) = ( 0.5531915 0.3936170 0.5531915), wk = 0.0020040 k( 314) = ( 0.5558511 0.3882979 0.5558511), wk = 0.0020040 k( 315) = ( 0.5585106 0.3829787 0.5585106), wk = 0.0020040 k( 316) = ( 0.5611702 0.3776596 0.5611702), wk = 0.0020040 k( 317) = ( 0.5638298 0.3723404 0.5638298), wk = 0.0020040 k( 318) = ( 0.5664894 0.3670213 0.5664894), wk = 0.0020040 k( 319) = ( 0.5691489 0.3617021 0.5691489), wk = 0.0020040 k( 320) = ( 0.5718085 0.3563830 0.5718085), wk = 0.0020040 k( 321) = ( 0.5744681 0.3510638 0.5744681), wk = 0.0020040 k( 322) = ( 0.5771277 0.3457447 0.5771277), wk = 0.0020040 k( 323) = ( 0.5797872 0.3404255 0.5797872), wk = 0.0020040 k( 324) = ( 0.5824468 0.3351064 0.5824468), wk = 0.0020040 k( 325) = ( 0.5851064 0.3297872 0.5851064), wk = 0.0020040 k( 326) = ( 0.5877660 0.3244681 0.5877660), wk = 0.0020040 k( 327) = ( 0.5904255 0.3191489 0.5904255), wk = 0.0020040 k( 328) = ( 0.5930851 0.3138298 0.5930851), wk = 0.0020040 k( 329) = ( 0.5957447 0.3085106 0.5957447), wk = 0.0020040 k( 330) = ( 0.5984043 0.3031915 0.5984043), wk = 0.0020040 k( 331) = ( 0.6010638 0.2978723 0.6010638), wk = 0.0020040 k( 332) = ( 0.6037234 0.2925532 0.6037234), wk = 0.0020040 k( 333) = ( 0.6063830 0.2872340 0.6063830), wk = 0.0020040 k( 334) = ( 0.6090425 0.2819149 0.6090425), wk = 0.0020040 k( 335) = ( 0.6117021 0.2765957 0.6117021), wk = 0.0020040 k( 336) = ( 0.6143617 0.2712766 0.6143617), wk = 0.0020040 k( 337) = ( 0.6170213 0.2659574 0.6170213), wk = 0.0020040 k( 338) = ( 0.6196808 0.2606383 0.6196808), wk = 0.0020040 k( 339) = ( 0.6223404 0.2553191 0.6223404), wk = 0.0020040 k( 340) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020040 k( 341) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020040 k( 342) = ( 0.6203704 0.2500000 0.6296296), wk = 0.0020040 k( 343) = ( 0.6157407 0.2500000 0.6342593), wk = 0.0020040 k( 344) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0020040 k( 345) = ( 0.6064815 0.2500000 0.6435185), wk = 0.0020040 k( 346) = ( 0.6018518 0.2500000 0.6481481), wk = 0.0020040 k( 347) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0020040 k( 348) = ( 0.5925926 0.2500000 0.6574074), wk = 0.0020040 k( 349) = ( 0.5879630 0.2500000 0.6620370), wk = 0.0020040 k( 350) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0020040 k( 351) = ( 0.5787037 0.2500000 0.6712963), wk = 0.0020040 k( 352) = ( 0.5740741 0.2500000 0.6759259), wk = 0.0020040 k( 353) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0020040 k( 354) = ( 0.5648148 0.2500000 0.6851852), wk = 0.0020040 k( 355) = ( 0.5601852 0.2500000 0.6898148), wk = 0.0020040 k( 356) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0020040 k( 357) = ( 0.5509259 0.2500000 0.6990741), wk = 0.0020040 k( 358) = ( 0.5462963 0.2500000 0.7037037), wk = 0.0020040 k( 359) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0020040 k( 360) = ( 0.5370370 0.2500000 0.7129630), wk = 0.0020040 k( 361) = ( 0.5324074 0.2500000 0.7175926), wk = 0.0020040 k( 362) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0020040 k( 363) = ( 0.5231482 0.2500000 0.7268518), wk = 0.0020040 k( 364) = ( 0.5185185 0.2500000 0.7314815), wk = 0.0020040 k( 365) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0020040 k( 366) = ( 0.5092593 0.2500000 0.7407407), wk = 0.0020040 k( 367) = ( 0.5046296 0.2500000 0.7453704), wk = 0.0020040 k( 368) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020040 k( 369) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020040 k( 370) = ( 0.5000000 0.2546296 0.7453704), wk = 0.0020040 k( 371) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0020040 k( 372) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0020040 k( 373) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0020040 k( 374) = ( 0.5000000 0.2731481 0.7268518), wk = 0.0020040 k( 375) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0020040 k( 376) = ( 0.5000000 0.2824074 0.7175926), wk = 0.0020040 k( 377) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0020040 k( 378) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0020040 k( 379) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0020040 k( 380) = ( 0.5000000 0.3009259 0.6990741), wk = 0.0020040 k( 381) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0020040 k( 382) = ( 0.5000000 0.3101852 0.6898148), wk = 0.0020040 k( 383) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0020040 k( 384) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0020040 k( 385) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0020040 k( 386) = ( 0.5000000 0.3287037 0.6712963), wk = 0.0020040 k( 387) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0020040 k( 388) = ( 0.5000000 0.3379630 0.6620370), wk = 0.0020040 k( 389) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0020040 k( 390) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0020040 k( 391) = ( 0.5000000 0.3518519 0.6481481), wk = 0.0020040 k( 392) = ( 0.5000000 0.3564815 0.6435185), wk = 0.0020040 k( 393) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0020040 k( 394) = ( 0.5000000 0.3657407 0.6342593), wk = 0.0020040 k( 395) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0020040 k( 396) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0020040 k( 397) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0020040 k( 398) = ( 0.5000000 0.3842593 0.6157407), wk = 0.0020040 k( 399) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0020040 k( 400) = ( 0.5000000 0.3935185 0.6064815), wk = 0.0020040 k( 401) = ( 0.5000000 0.3981481 0.6018518), wk = 0.0020040 k( 402) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0020040 k( 403) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0020040 k( 404) = ( 0.5000000 0.4120370 0.5879630), wk = 0.0020040 k( 405) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0020040 k( 406) = ( 0.5000000 0.4212963 0.5787037), wk = 0.0020040 k( 407) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0020040 k( 408) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0020040 k( 409) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0020040 k( 410) = ( 0.5000000 0.4398148 0.5601852), wk = 0.0020040 k( 411) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0020040 k( 412) = ( 0.5000000 0.4490741 0.5509259), wk = 0.0020040 k( 413) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0020040 k( 414) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0020040 k( 415) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0020040 k( 416) = ( 0.5000000 0.4675926 0.5324074), wk = 0.0020040 k( 417) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0020040 k( 418) = ( 0.5000000 0.4768518 0.5231481), wk = 0.0020040 k( 419) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0020040 k( 420) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0020040 k( 421) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0020040 k( 422) = ( 0.5000000 0.4953704 0.5046296), wk = 0.0020040 k( 423) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020040 k( 424) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020040 k( 425) = ( 0.4973404 0.4973404 0.5053191), wk = 0.0020040 k( 426) = ( 0.4946809 0.4946809 0.5106383), wk = 0.0020040 k( 427) = ( 0.4920213 0.4920213 0.5159575), wk = 0.0020040 k( 428) = ( 0.4893617 0.4893617 0.5212766), wk = 0.0020040 k( 429) = ( 0.4867021 0.4867021 0.5265957), wk = 0.0020040 k( 430) = ( 0.4840426 0.4840426 0.5319149), wk = 0.0020040 k( 431) = ( 0.4813830 0.4813830 0.5372340), wk = 0.0020040 k( 432) = ( 0.4787234 0.4787234 0.5425532), wk = 0.0020040 k( 433) = ( 0.4760638 0.4760638 0.5478723), wk = 0.0020040 k( 434) = ( 0.4734043 0.4734043 0.5531915), wk = 0.0020040 k( 435) = ( 0.4707447 0.4707447 0.5585106), wk = 0.0020040 k( 436) = ( 0.4680851 0.4680851 0.5638298), wk = 0.0020040 k( 437) = ( 0.4654255 0.4654255 0.5691489), wk = 0.0020040 k( 438) = ( 0.4627660 0.4627660 0.5744681), wk = 0.0020040 k( 439) = ( 0.4601064 0.4601064 0.5797872), wk = 0.0020040 k( 440) = ( 0.4574468 0.4574468 0.5851064), wk = 0.0020040 k( 441) = ( 0.4547872 0.4547872 0.5904255), wk = 0.0020040 k( 442) = ( 0.4521277 0.4521277 0.5957447), wk = 0.0020040 k( 443) = ( 0.4494681 0.4494681 0.6010638), wk = 0.0020040 k( 444) = ( 0.4468085 0.4468085 0.6063830), wk = 0.0020040 k( 445) = ( 0.4441489 0.4441489 0.6117021), wk = 0.0020040 k( 446) = ( 0.4414894 0.4414894 0.6170213), wk = 0.0020040 k( 447) = ( 0.4388298 0.4388298 0.6223404), wk = 0.0020040 k( 448) = ( 0.4361702 0.4361702 0.6276596), wk = 0.0020040 k( 449) = ( 0.4335106 0.4335106 0.6329787), wk = 0.0020040 k( 450) = ( 0.4308511 0.4308511 0.6382979), wk = 0.0020040 k( 451) = ( 0.4281915 0.4281915 0.6436170), wk = 0.0020040 k( 452) = ( 0.4255319 0.4255319 0.6489362), wk = 0.0020040 k( 453) = ( 0.4228723 0.4228723 0.6542553), wk = 0.0020040 k( 454) = ( 0.4202128 0.4202128 0.6595745), wk = 0.0020040 k( 455) = ( 0.4175532 0.4175532 0.6648936), wk = 0.0020040 k( 456) = ( 0.4148936 0.4148936 0.6702128), wk = 0.0020040 k( 457) = ( 0.4122340 0.4122340 0.6755319), wk = 0.0020040 k( 458) = ( 0.4095745 0.4095745 0.6808511), wk = 0.0020040 k( 459) = ( 0.4069149 0.4069149 0.6861702), wk = 0.0020040 k( 460) = ( 0.4042553 0.4042553 0.6914894), wk = 0.0020040 k( 461) = ( 0.4015957 0.4015957 0.6968085), wk = 0.0020040 k( 462) = ( 0.3989362 0.3989362 0.7021277), wk = 0.0020040 k( 463) = ( 0.3962766 0.3962766 0.7074468), wk = 0.0020040 k( 464) = ( 0.3936170 0.3936170 0.7127660), wk = 0.0020040 k( 465) = ( 0.3909574 0.3909575 0.7180851), wk = 0.0020040 k( 466) = ( 0.3882979 0.3882979 0.7234043), wk = 0.0020040 k( 467) = ( 0.3856383 0.3856383 0.7287234), wk = 0.0020040 k( 468) = ( 0.3829787 0.3829787 0.7340425), wk = 0.0020040 k( 469) = ( 0.3803191 0.3803192 0.7393617), wk = 0.0020040 k( 470) = ( 0.3776596 0.3776596 0.7446808), wk = 0.0020040 k( 471) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020040 k( 472) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020040 k( 473) = ( 0.6203704 0.2407407 0.6203704), wk = 0.0020040 k( 474) = ( 0.6157407 0.2314815 0.6157407), wk = 0.0020040 k( 475) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0020040 k( 476) = ( 0.6064815 0.2129630 0.6064815), wk = 0.0020040 k( 477) = ( 0.6018518 0.2037037 0.6018518), wk = 0.0020040 k( 478) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0020040 k( 479) = ( 0.5925926 0.1851852 0.5925926), wk = 0.0020040 k( 480) = ( 0.5879630 0.1759259 0.5879630), wk = 0.0020040 k( 481) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0020040 k( 482) = ( 0.5787037 0.1574074 0.5787037), wk = 0.0020040 k( 483) = ( 0.5740741 0.1481482 0.5740741), wk = 0.0020040 k( 484) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0020040 k( 485) = ( 0.5648148 0.1296296 0.5648148), wk = 0.0020040 k( 486) = ( 0.5601852 0.1203704 0.5601852), wk = 0.0020040 k( 487) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0020040 k( 488) = ( 0.5509259 0.1018518 0.5509259), wk = 0.0020040 k( 489) = ( 0.5462963 0.0925926 0.5462963), wk = 0.0020040 k( 490) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0020040 k( 491) = ( 0.5370370 0.0740741 0.5370370), wk = 0.0020040 k( 492) = ( 0.5324074 0.0648148 0.5324074), wk = 0.0020040 k( 493) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0020040 k( 494) = ( 0.5231482 0.0462963 0.5231481), wk = 0.0020040 k( 495) = ( 0.5185185 0.0370370 0.5185185), wk = 0.0020040 k( 496) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0020040 k( 497) = ( 0.5092593 0.0185185 0.5092593), wk = 0.0020040 k( 498) = ( 0.5046296 0.0092593 0.5046296), wk = 0.0020040 k( 499) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020040 Dense grid: 12039 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 5329 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 30, 24) NL pseudopotentials 0.01 Mb ( 15, 48) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 251) G-vector shells 0.00 Mb ( 118) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 30, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) 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 40.9 secs Computing kpt #: 2 total cpu time spent up to now is 41.4 secs Computing kpt #: 3 total cpu time spent up to now is 41.8 secs Computing kpt #: 4 total cpu time spent up to now is 42.2 secs Computing kpt #: 5 total cpu time spent up to now is 42.5 secs Computing kpt #: 6 total cpu time spent up to now is 42.9 secs Computing kpt #: 7 total cpu time spent up to now is 43.3 secs Computing kpt #: 8 total cpu time spent up to now is 43.7 secs Computing kpt #: 9 total cpu time spent up to now is 44.0 secs Computing kpt #: 10 total cpu time spent up to now is 44.4 secs Computing kpt #: 11 total cpu time spent up to now is 45.6 secs Computing kpt #: 12 total cpu time spent up to now is 46.0 secs Computing kpt #: 13 total cpu time spent up to now is 46.3 secs Computing kpt #: 14 total cpu time spent up to now is 46.6 secs Computing kpt #: 15 total cpu time spent up to now is 47.0 secs Computing kpt #: 16 total cpu time spent up to now is 47.3 secs Computing kpt #: 17 total cpu time spent up to now is 47.6 secs Computing kpt #: 18 total cpu time spent up to now is 48.0 secs Computing kpt #: 19 total cpu time spent up to now is 48.9 secs Computing kpt #: 20 total cpu time spent up to now is 49.2 secs Computing kpt #: 21 total cpu time spent up to now is 49.5 secs Computing kpt #: 22 total cpu time spent up to now is 49.8 secs Computing kpt #: 23 total cpu time spent up to now is 50.2 secs Computing kpt #: 24 total cpu time spent up to now is 50.5 secs Computing kpt #: 25 total cpu time spent up to now is 50.9 secs Computing kpt #: 26 total cpu time spent up to now is 51.2 secs Computing kpt #: 27 total cpu time spent up to now is 51.5 secs Computing kpt #: 28 total cpu time spent up to now is 51.8 secs Computing kpt #: 29 total cpu time spent up to now is 52.0 secs Computing kpt #: 30 total cpu time spent up to now is 52.2 secs Computing kpt #: 31 total cpu time spent up to now is 52.4 secs Computing kpt #: 32 total cpu time spent up to now is 52.6 secs Computing kpt #: 33 total cpu time spent up to now is 52.8 secs Computing kpt #: 34 total cpu time spent up to now is 53.0 secs Computing kpt #: 35 total cpu time spent up to now is 53.1 secs Computing kpt #: 36 total cpu time spent up to now is 53.3 secs Computing kpt #: 37 total cpu time spent up to now is 53.5 secs Computing kpt #: 38 total cpu time spent up to now is 53.7 secs Computing kpt #: 39 total cpu time spent up to now is 53.9 secs Computing kpt #: 40 total cpu time spent up to now is 54.1 secs Computing kpt #: 41 total cpu time spent up to now is 54.4 secs Computing kpt #: 42 total cpu time spent up to now is 54.6 secs Computing kpt #: 43 total cpu time spent up to now is 54.8 secs Computing kpt #: 44 total cpu time spent up to now is 55.0 secs Computing kpt #: 45 total cpu time spent up to now is 55.1 secs Computing kpt #: 46 total cpu time spent up to now is 55.3 secs Computing kpt #: 47 total cpu time spent up to now is 55.5 secs Computing kpt #: 48 total cpu time spent up to now is 55.7 secs Computing kpt #: 49 total cpu time spent up to now is 55.9 secs Computing kpt #: 50 total cpu time spent up to now is 56.1 secs Computing kpt #: 51 total cpu time spent up to now is 56.2 secs Computing kpt #: 52 total cpu time spent up to now is 56.4 secs Computing kpt #: 53 total cpu time spent up to now is 56.6 secs Computing kpt #: 54 total cpu time spent up to now is 56.8 secs Computing kpt #: 55 total cpu time spent up to now is 57.0 secs Computing kpt #: 56 total cpu time spent up to now is 57.2 secs Computing kpt #: 57 total cpu time spent up to now is 57.3 secs Computing kpt #: 58 total cpu time spent up to now is 57.5 secs Computing kpt #: 59 total cpu time spent up to now is 57.7 secs Computing kpt #: 60 total cpu time spent up to now is 57.9 secs Computing kpt #: 61 total cpu time spent up to now is 58.0 secs Computing kpt #: 62 total cpu time spent up to now is 58.2 secs Computing kpt #: 63 total cpu time spent up to now is 58.4 secs Computing kpt #: 64 total cpu time spent up to now is 58.6 secs Computing kpt #: 65 total cpu time spent up to now is 58.7 secs Computing kpt #: 66 total cpu time spent up to now is 58.9 secs Computing kpt #: 67 total cpu time spent up to now is 59.1 secs Computing kpt #: 68 total cpu time spent up to now is 59.3 secs Computing kpt #: 69 total cpu time spent up to now is 59.5 secs Computing kpt #: 70 total cpu time spent up to now is 59.6 secs Computing kpt #: 71 total cpu time spent up to now is 59.8 secs Computing kpt #: 72 total cpu time spent up to now is 60.0 secs Computing kpt #: 73 total cpu time spent up to now is 60.3 secs Computing kpt #: 74 total cpu time spent up to now is 60.4 secs Computing kpt #: 75 total cpu time spent up to now is 60.6 secs Computing kpt #: 76 total cpu time spent up to now is 60.8 secs Computing kpt #: 77 total cpu time spent up to now is 61.0 secs Computing kpt #: 78 total cpu time spent up to now is 61.2 secs Computing kpt #: 79 total cpu time spent up to now is 61.4 secs Computing kpt #: 80 total cpu time spent up to now is 61.6 secs Computing kpt #: 81 total cpu time spent up to now is 61.8 secs Computing kpt #: 82 total cpu time spent up to now is 62.0 secs Computing kpt #: 83 total cpu time spent up to now is 62.2 secs Computing kpt #: 84 total cpu time spent up to now is 62.3 secs Computing kpt #: 85 total cpu time spent up to now is 62.5 secs Computing kpt #: 86 total cpu time spent up to now is 62.7 secs Computing kpt #: 87 total cpu time spent up to now is 62.9 secs Computing kpt #: 88 total cpu time spent up to now is 63.1 secs Computing kpt #: 89 total cpu time spent up to now is 63.3 secs Computing kpt #: 90 total cpu time spent up to now is 63.5 secs Computing kpt #: 91 total cpu time spent up to now is 63.6 secs Computing kpt #: 92 total cpu time spent up to now is 63.8 secs Computing kpt #: 93 total cpu time spent up to now is 64.0 secs Computing kpt #: 94 total cpu time spent up to now is 64.2 secs Computing kpt #: 95 total cpu time spent up to now is 64.4 secs Computing kpt #: 96 total cpu time spent up to now is 64.5 secs Computing kpt #: 97 total cpu time spent up to now is 64.7 secs Computing kpt #: 98 total cpu time spent up to now is 64.9 secs Computing kpt #: 99 total cpu time spent up to now is 65.1 secs Computing kpt #: 100 total cpu time spent up to now is 65.2 secs Computing kpt #: 101 total cpu time spent up to now is 65.4 secs Computing kpt #: 102 total cpu time spent up to now is 65.6 secs Computing kpt #: 103 total cpu time spent up to now is 65.8 secs Computing kpt #: 104 total cpu time spent up to now is 66.0 secs Computing kpt #: 105 total cpu time spent up to now is 66.2 secs Computing kpt #: 106 total cpu time spent up to now is 66.4 secs Computing kpt #: 107 total cpu time spent up to now is 66.6 secs Computing kpt #: 108 total cpu time spent up to now is 66.8 secs Computing kpt #: 109 total cpu time spent up to now is 67.1 secs Computing kpt #: 110 total cpu time spent up to now is 67.3 secs Computing kpt #: 111 total cpu time spent up to now is 67.5 secs Computing kpt #: 112 total cpu time spent up to now is 67.7 secs Computing kpt #: 113 total cpu time spent up to now is 67.9 secs Computing kpt #: 114 total cpu time spent up to now is 68.1 secs Computing kpt #: 115 total cpu time spent up to now is 68.3 secs Computing kpt #: 116 total cpu time spent up to now is 68.4 secs Computing kpt #: 117 total cpu time spent up to now is 68.6 secs Computing kpt #: 118 total cpu time spent up to now is 68.8 secs Computing kpt #: 119 total cpu time spent up to now is 69.0 secs Computing kpt #: 120 total cpu time spent up to now is 69.2 secs Computing kpt #: 121 total cpu time spent up to now is 69.4 secs Computing kpt #: 122 total cpu time spent up to now is 69.5 secs Computing kpt #: 123 total cpu time spent up to now is 69.7 secs Computing kpt #: 124 total cpu time spent up to now is 69.9 secs Computing kpt #: 125 total cpu time spent up to now is 70.1 secs Computing kpt #: 126 total cpu time spent up to now is 70.3 secs Computing kpt #: 127 total cpu time spent up to now is 70.4 secs Computing kpt #: 128 total cpu time spent up to now is 70.6 secs Computing kpt #: 129 total cpu time spent up to now is 70.8 secs Computing kpt #: 130 total cpu time spent up to now is 71.0 secs Computing kpt #: 131 total cpu time spent up to now is 71.1 secs Computing kpt #: 132 total cpu time spent up to now is 71.3 secs Computing kpt #: 133 total cpu time spent up to now is 71.5 secs Computing kpt #: 134 total cpu time spent up to now is 71.7 secs Computing kpt #: 135 total cpu time spent up to now is 71.9 secs Computing kpt #: 136 total cpu time spent up to now is 72.1 secs Computing kpt #: 137 total cpu time spent up to now is 72.3 secs Computing kpt #: 138 total cpu time spent up to now is 72.5 secs Computing kpt #: 139 total cpu time spent up to now is 72.8 secs Computing kpt #: 140 total cpu time spent up to now is 73.0 secs Computing kpt #: 141 total cpu time spent up to now is 73.2 secs Computing kpt #: 142 total cpu time spent up to now is 73.4 secs Computing kpt #: 143 total cpu time spent up to now is 73.5 secs Computing kpt #: 144 total cpu time spent up to now is 73.7 secs Computing kpt #: 145 total cpu time spent up to now is 73.9 secs Computing kpt #: 146 total cpu time spent up to now is 74.1 secs Computing kpt #: 147 total cpu time spent up to now is 74.2 secs Computing kpt #: 148 total cpu time spent up to now is 74.4 secs Computing kpt #: 149 total cpu time spent up to now is 74.6 secs Computing kpt #: 150 total cpu time spent up to now is 74.8 secs Computing kpt #: 151 total cpu time spent up to now is 74.9 secs Computing kpt #: 152 total cpu time spent up to now is 75.1 secs Computing kpt #: 153 total cpu time spent up to now is 75.3 secs Computing kpt #: 154 total cpu time spent up to now is 75.5 secs Computing kpt #: 155 total cpu time spent up to now is 75.6 secs Computing kpt #: 156 total cpu time spent up to now is 75.8 secs Computing kpt #: 157 total cpu time spent up to now is 76.0 secs Computing kpt #: 158 total cpu time spent up to now is 76.2 secs Computing kpt #: 159 total cpu time spent up to now is 76.3 secs Computing kpt #: 160 total cpu time spent up to now is 76.5 secs Computing kpt #: 161 total cpu time spent up to now is 76.7 secs Computing kpt #: 162 total cpu time spent up to now is 76.9 secs Computing kpt #: 163 total cpu time spent up to now is 77.1 secs Computing kpt #: 164 total cpu time spent up to now is 77.2 secs Computing kpt #: 165 total cpu time spent up to now is 77.4 secs Computing kpt #: 166 total cpu time spent up to now is 77.6 secs Computing kpt #: 167 total cpu time spent up to now is 77.8 secs Computing kpt #: 168 total cpu time spent up to now is 78.1 secs Computing kpt #: 169 total cpu time spent up to now is 78.3 secs Computing kpt #: 170 total cpu time spent up to now is 78.5 secs Computing kpt #: 171 total cpu time spent up to now is 78.7 secs Computing kpt #: 172 total cpu time spent up to now is 78.9 secs Computing kpt #: 173 total cpu time spent up to now is 79.1 secs Computing kpt #: 174 total cpu time spent up to now is 79.3 secs Computing kpt #: 175 total cpu time spent up to now is 79.5 secs Computing kpt #: 176 total cpu time spent up to now is 79.7 secs Computing kpt #: 177 total cpu time spent up to now is 79.9 secs Computing kpt #: 178 total cpu time spent up to now is 80.0 secs Computing kpt #: 179 total cpu time spent up to now is 80.2 secs Computing kpt #: 180 total cpu time spent up to now is 80.4 secs Computing kpt #: 181 total cpu time spent up to now is 80.6 secs Computing kpt #: 182 total cpu time spent up to now is 80.8 secs Computing kpt #: 183 total cpu time spent up to now is 80.9 secs Computing kpt #: 184 total cpu time spent up to now is 81.1 secs Computing kpt #: 185 total cpu time spent up to now is 81.3 secs Computing kpt #: 186 total cpu time spent up to now is 81.5 secs Computing kpt #: 187 total cpu time spent up to now is 81.7 secs Computing kpt #: 188 total cpu time spent up to now is 81.8 secs Computing kpt #: 189 total cpu time spent up to now is 82.0 secs Computing kpt #: 190 total cpu time spent up to now is 82.2 secs Computing kpt #: 191 total cpu time spent up to now is 82.4 secs Computing kpt #: 192 total cpu time spent up to now is 82.6 secs Computing kpt #: 193 total cpu time spent up to now is 82.7 secs Computing kpt #: 194 total cpu time spent up to now is 82.9 secs Computing kpt #: 195 total cpu time spent up to now is 83.1 secs Computing kpt #: 196 total cpu time spent up to now is 83.3 secs Computing kpt #: 197 total cpu time spent up to now is 83.5 secs Computing kpt #: 198 total cpu time spent up to now is 83.7 secs Computing kpt #: 199 total cpu time spent up to now is 83.9 secs Computing kpt #: 200 total cpu time spent up to now is 84.1 secs Computing kpt #: 201 total cpu time spent up to now is 84.3 secs Computing kpt #: 202 total cpu time spent up to now is 84.5 secs Computing kpt #: 203 total cpu time spent up to now is 84.7 secs Computing kpt #: 204 total cpu time spent up to now is 85.0 secs Computing kpt #: 205 total cpu time spent up to now is 85.2 secs Computing kpt #: 206 total cpu time spent up to now is 85.4 secs Computing kpt #: 207 total cpu time spent up to now is 85.6 secs Computing kpt #: 208 total cpu time spent up to now is 85.8 secs Computing kpt #: 209 total cpu time spent up to now is 86.0 secs Computing kpt #: 210 total cpu time spent up to now is 86.2 secs Computing kpt #: 211 total cpu time spent up to now is 86.4 secs Computing kpt #: 212 total cpu time spent up to now is 86.6 secs Computing kpt #: 213 total cpu time spent up to now is 86.9 secs Computing kpt #: 214 total cpu time spent up to now is 87.1 secs Computing kpt #: 215 total cpu time spent up to now is 87.4 secs Computing kpt #: 216 total cpu time spent up to now is 87.7 secs Computing kpt #: 217 total cpu time spent up to now is 87.9 secs Computing kpt #: 218 total cpu time spent up to now is 88.2 secs Computing kpt #: 219 total cpu time spent up to now is 88.5 secs Computing kpt #: 220 total cpu time spent up to now is 88.9 secs Computing kpt #: 221 total cpu time spent up to now is 89.2 secs Computing kpt #: 222 total cpu time spent up to now is 89.6 secs Computing kpt #: 223 total cpu time spent up to now is 90.0 secs Computing kpt #: 224 total cpu time spent up to now is 90.6 secs Computing kpt #: 225 total cpu time spent up to now is 91.0 secs Computing kpt #: 226 total cpu time spent up to now is 91.3 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.0 secs Computing kpt #: 228 total cpu time spent up to now is 92.4 secs Computing kpt #: 229 total cpu time spent up to now is 92.8 secs Computing kpt #: 230 total cpu time spent up to now is 93.1 secs Computing kpt #: 231 total cpu time spent up to now is 93.5 secs Computing kpt #: 232 total cpu time spent up to now is 93.9 secs Computing kpt #: 233 total cpu time spent up to now is 94.4 secs Computing kpt #: 234 total cpu time spent up to now is 94.8 secs Computing kpt #: 235 total cpu time spent up to now is 95.2 secs Computing kpt #: 236 total cpu time spent up to now is 95.6 secs Computing kpt #: 237 total cpu time spent up to now is 96.0 secs Computing kpt #: 238 total cpu time spent up to now is 96.3 secs Computing kpt #: 239 total cpu time spent up to now is 96.7 secs Computing kpt #: 240 total cpu time spent up to now is 97.1 secs Computing kpt #: 241 total cpu time spent up to now is 97.4 secs Computing kpt #: 242 total cpu time spent up to now is 97.7 secs Computing kpt #: 243 total cpu time spent up to now is 98.0 secs Computing kpt #: 244 total cpu time spent up to now is 98.4 secs Computing kpt #: 245 total cpu time spent up to now is 98.7 secs Computing kpt #: 246 total cpu time spent up to now is 99.0 secs Computing kpt #: 247 total cpu time spent up to now is 99.3 secs Computing kpt #: 248 total cpu time spent up to now is 99.5 secs Computing kpt #: 249 total cpu time spent up to now is 99.8 secs Computing kpt #: 250 total cpu time spent up to now is 100.1 secs Computing kpt #: 251 total cpu time spent up to now is 100.3 secs Computing kpt #: 252 total cpu time spent up to now is 100.5 secs Computing kpt #: 253 total cpu time spent up to now is 100.8 secs Computing kpt #: 254 total cpu time spent up to now is 101.1 secs Computing kpt #: 255 total cpu time spent up to now is 101.3 secs Computing kpt #: 256 total cpu time spent up to now is 101.5 secs Computing kpt #: 257 total cpu time spent up to now is 101.9 secs Computing kpt #: 258 total cpu time spent up to now is 102.1 secs Computing kpt #: 259 total cpu time spent up to now is 102.4 secs Computing kpt #: 260 total cpu time spent up to now is 102.7 secs Computing kpt #: 261 total cpu time spent up to now is 102.9 secs Computing kpt #: 262 total cpu time spent up to now is 103.1 secs Computing kpt #: 263 total cpu time spent up to now is 103.3 secs Computing kpt #: 264 total cpu time spent up to now is 103.6 secs Computing kpt #: 265 total cpu time spent up to now is 103.8 secs Computing kpt #: 266 total cpu time spent up to now is 104.0 secs Computing kpt #: 267 total cpu time spent up to now is 104.3 secs Computing kpt #: 268 total cpu time spent up to now is 104.6 secs Computing kpt #: 269 total cpu time spent up to now is 104.8 secs Computing kpt #: 270 total cpu time spent up to now is 105.1 secs Computing kpt #: 271 total cpu time spent up to now is 105.3 secs Computing kpt #: 272 total cpu time spent up to now is 105.5 secs Computing kpt #: 273 total cpu time spent up to now is 105.7 secs Computing kpt #: 274 total cpu time spent up to now is 106.1 secs Computing kpt #: 275 total cpu time spent up to now is 106.4 secs Computing kpt #: 276 total cpu time spent up to now is 106.6 secs Computing kpt #: 277 total cpu time spent up to now is 106.8 secs Computing kpt #: 278 total cpu time spent up to now is 107.0 secs Computing kpt #: 279 total cpu time spent up to now is 107.2 secs Computing kpt #: 280 total cpu time spent up to now is 107.5 secs Computing kpt #: 281 total cpu time spent up to now is 107.7 secs Computing kpt #: 282 total cpu time spent up to now is 108.0 secs Computing kpt #: 283 total cpu time spent up to now is 108.2 secs Computing kpt #: 284 total cpu time spent up to now is 108.5 secs Computing kpt #: 285 total cpu time spent up to now is 108.8 secs Computing kpt #: 286 total cpu time spent up to now is 109.0 secs Computing kpt #: 287 total cpu time spent up to now is 109.2 secs Computing kpt #: 288 total cpu time spent up to now is 109.4 secs Computing kpt #: 289 total cpu time spent up to now is 109.6 secs Computing kpt #: 290 total cpu time spent up to now is 109.8 secs Computing kpt #: 291 total cpu time spent up to now is 110.0 secs Computing kpt #: 292 total cpu time spent up to now is 110.2 secs Computing kpt #: 293 total cpu time spent up to now is 110.5 secs Computing kpt #: 294 total cpu time spent up to now is 110.6 secs Computing kpt #: 295 total cpu time spent up to now is 110.8 secs Computing kpt #: 296 total cpu time spent up to now is 111.1 secs Computing kpt #: 297 total cpu time spent up to now is 111.3 secs Computing kpt #: 298 total cpu time spent up to now is 111.5 secs Computing kpt #: 299 total cpu time spent up to now is 111.7 secs Computing kpt #: 300 total cpu time spent up to now is 111.9 secs Computing kpt #: 301 total cpu time spent up to now is 112.0 secs Computing kpt #: 302 total cpu time spent up to now is 112.2 secs Computing kpt #: 303 total cpu time spent up to now is 112.4 secs Computing kpt #: 304 total cpu time spent up to now is 112.7 secs Computing kpt #: 305 total cpu time spent up to now is 112.9 secs Computing kpt #: 306 total cpu time spent up to now is 113.1 secs Computing kpt #: 307 total cpu time spent up to now is 113.3 secs Computing kpt #: 308 total cpu time spent up to now is 113.5 secs Computing kpt #: 309 total cpu time spent up to now is 113.7 secs Computing kpt #: 310 total cpu time spent up to now is 113.9 secs Computing kpt #: 311 total cpu time spent up to now is 114.1 secs Computing kpt #: 312 total cpu time spent up to now is 114.3 secs Computing kpt #: 313 total cpu time spent up to now is 114.5 secs Computing kpt #: 314 total cpu time spent up to now is 114.7 secs Computing kpt #: 315 total cpu time spent up to now is 114.9 secs Computing kpt #: 316 total cpu time spent up to now is 115.1 secs Computing kpt #: 317 total cpu time spent up to now is 115.3 secs Computing kpt #: 318 total cpu time spent up to now is 115.5 secs Computing kpt #: 319 total cpu time spent up to now is 115.6 secs Computing kpt #: 320 total cpu time spent up to now is 115.8 secs Computing kpt #: 321 total cpu time spent up to now is 116.0 secs Computing kpt #: 322 total cpu time spent up to now is 116.4 secs Computing kpt #: 323 total cpu time spent up to now is 116.6 secs Computing kpt #: 324 total cpu time spent up to now is 116.7 secs Computing kpt #: 325 total cpu time spent up to now is 116.9 secs Computing kpt #: 326 total cpu time spent up to now is 117.1 secs Computing kpt #: 327 total cpu time spent up to now is 117.3 secs Computing kpt #: 328 total cpu time spent up to now is 117.5 secs Computing kpt #: 329 total cpu time spent up to now is 117.6 secs Computing kpt #: 330 total cpu time spent up to now is 117.8 secs Computing kpt #: 331 total cpu time spent up to now is 118.0 secs Computing kpt #: 332 total cpu time spent up to now is 118.2 secs Computing kpt #: 333 total cpu time spent up to now is 118.3 secs Computing kpt #: 334 total cpu time spent up to now is 118.5 secs Computing kpt #: 335 total cpu time spent up to now is 118.7 secs Computing kpt #: 336 total cpu time spent up to now is 118.9 secs Computing kpt #: 337 total cpu time spent up to now is 119.0 secs Computing kpt #: 338 total cpu time spent up to now is 119.2 secs Computing kpt #: 339 total cpu time spent up to now is 119.4 secs Computing kpt #: 340 total cpu time spent up to now is 119.6 secs Computing kpt #: 341 total cpu time spent up to now is 119.8 secs Computing kpt #: 342 total cpu time spent up to now is 120.1 secs Computing kpt #: 343 total cpu time spent up to now is 120.4 secs Computing kpt #: 344 total cpu time spent up to now is 120.6 secs Computing kpt #: 345 total cpu time spent up to now is 120.8 secs Computing kpt #: 346 total cpu time spent up to now is 121.0 secs Computing kpt #: 347 total cpu time spent up to now is 121.2 secs Computing kpt #: 348 total cpu time spent up to now is 121.3 secs Computing kpt #: 349 total cpu time spent up to now is 121.5 secs Computing kpt #: 350 total cpu time spent up to now is 121.7 secs Computing kpt #: 351 total cpu time spent up to now is 121.9 secs Computing kpt #: 352 total cpu time spent up to now is 122.1 secs Computing kpt #: 353 total cpu time spent up to now is 122.2 secs Computing kpt #: 354 total cpu time spent up to now is 122.4 secs Computing kpt #: 355 total cpu time spent up to now is 122.6 secs Computing kpt #: 356 total cpu time spent up to now is 122.8 secs Computing kpt #: 357 total cpu time spent up to now is 122.9 secs Computing kpt #: 358 total cpu time spent up to now is 123.1 secs Computing kpt #: 359 total cpu time spent up to now is 123.3 secs Computing kpt #: 360 total cpu time spent up to now is 123.5 secs Computing kpt #: 361 total cpu time spent up to now is 123.7 secs Computing kpt #: 362 total cpu time spent up to now is 123.9 secs Computing kpt #: 363 total cpu time spent up to now is 124.0 secs Computing kpt #: 364 total cpu time spent up to now is 124.2 secs Computing kpt #: 365 total cpu time spent up to now is 124.5 secs Computing kpt #: 366 total cpu time spent up to now is 124.7 secs Computing kpt #: 367 total cpu time spent up to now is 124.9 secs Computing kpt #: 368 total cpu time spent up to now is 125.1 secs Computing kpt #: 369 total cpu time spent up to now is 125.3 secs Computing kpt #: 370 total cpu time spent up to now is 125.5 secs Computing kpt #: 371 total cpu time spent up to now is 125.6 secs Computing kpt #: 372 total cpu time spent up to now is 125.9 secs Computing kpt #: 373 total cpu time spent up to now is 126.1 secs Computing kpt #: 374 total cpu time spent up to now is 126.3 secs Computing kpt #: 375 total cpu time spent up to now is 126.5 secs Computing kpt #: 376 total cpu time spent up to now is 126.7 secs Computing kpt #: 377 total cpu time spent up to now is 126.9 secs Computing kpt #: 378 total cpu time spent up to now is 127.1 secs Computing kpt #: 379 total cpu time spent up to now is 127.3 secs Computing kpt #: 380 total cpu time spent up to now is 127.5 secs Computing kpt #: 381 total cpu time spent up to now is 127.6 secs Computing kpt #: 382 total cpu time spent up to now is 127.8 secs Computing kpt #: 383 total cpu time spent up to now is 128.0 secs Computing kpt #: 384 total cpu time spent up to now is 128.2 secs Computing kpt #: 385 total cpu time spent up to now is 128.4 secs Computing kpt #: 386 total cpu time spent up to now is 128.6 secs Computing kpt #: 387 total cpu time spent up to now is 128.7 secs Computing kpt #: 388 total cpu time spent up to now is 128.9 secs Computing kpt #: 389 total cpu time spent up to now is 129.1 secs Computing kpt #: 390 total cpu time spent up to now is 129.3 secs Computing kpt #: 391 total cpu time spent up to now is 129.6 secs Computing kpt #: 392 total cpu time spent up to now is 129.7 secs Computing kpt #: 393 total cpu time spent up to now is 129.9 secs Computing kpt #: 394 total cpu time spent up to now is 130.1 secs Computing kpt #: 395 total cpu time spent up to now is 130.3 secs Computing kpt #: 396 total cpu time spent up to now is 130.5 secs Computing kpt #: 397 total cpu time spent up to now is 130.6 secs Computing kpt #: 398 total cpu time spent up to now is 130.8 secs Computing kpt #: 399 total cpu time spent up to now is 131.0 secs Computing kpt #: 400 total cpu time spent up to now is 131.2 secs Computing kpt #: 401 total cpu time spent up to now is 131.4 secs Computing kpt #: 402 total cpu time spent up to now is 131.5 secs Computing kpt #: 403 total cpu time spent up to now is 131.7 secs Computing kpt #: 404 total cpu time spent up to now is 132.0 secs Computing kpt #: 405 total cpu time spent up to now is 132.2 secs Computing kpt #: 406 total cpu time spent up to now is 132.4 secs Computing kpt #: 407 total cpu time spent up to now is 132.6 secs Computing kpt #: 408 total cpu time spent up to now is 132.9 secs Computing kpt #: 409 total cpu time spent up to now is 133.1 secs Computing kpt #: 410 total cpu time spent up to now is 133.3 secs Computing kpt #: 411 total cpu time spent up to now is 133.5 secs Computing kpt #: 412 total cpu time spent up to now is 133.7 secs Computing kpt #: 413 total cpu time spent up to now is 133.9 secs Computing kpt #: 414 total cpu time spent up to now is 134.1 secs Computing kpt #: 415 total cpu time spent up to now is 134.3 secs Computing kpt #: 416 total cpu time spent up to now is 134.5 secs Computing kpt #: 417 total cpu time spent up to now is 134.7 secs Computing kpt #: 418 total cpu time spent up to now is 134.9 secs Computing kpt #: 419 total cpu time spent up to now is 135.1 secs Computing kpt #: 420 total cpu time spent up to now is 135.3 secs Computing kpt #: 421 total cpu time spent up to now is 135.6 secs Computing kpt #: 422 total cpu time spent up to now is 135.8 secs Computing kpt #: 423 total cpu time spent up to now is 136.0 secs Computing kpt #: 424 total cpu time spent up to now is 136.2 secs Computing kpt #: 425 total cpu time spent up to now is 136.4 secs Computing kpt #: 426 total cpu time spent up to now is 136.6 secs Computing kpt #: 427 total cpu time spent up to now is 136.8 secs Computing kpt #: 428 total cpu time spent up to now is 137.0 secs Computing kpt #: 429 total cpu time spent up to now is 137.2 secs Computing kpt #: 430 total cpu time spent up to now is 137.4 secs Computing kpt #: 431 total cpu time spent up to now is 137.6 secs Computing kpt #: 432 total cpu time spent up to now is 137.9 secs Computing kpt #: 433 total cpu time spent up to now is 138.1 secs Computing kpt #: 434 total cpu time spent up to now is 138.3 secs Computing kpt #: 435 total cpu time spent up to now is 138.5 secs Computing kpt #: 436 total cpu time spent up to now is 138.7 secs Computing kpt #: 437 total cpu time spent up to now is 139.0 secs Computing kpt #: 438 total cpu time spent up to now is 139.2 secs Computing kpt #: 439 total cpu time spent up to now is 139.4 secs Computing kpt #: 440 total cpu time spent up to now is 139.6 secs Computing kpt #: 441 total cpu time spent up to now is 139.8 secs Computing kpt #: 442 total cpu time spent up to now is 139.9 secs Computing kpt #: 443 total cpu time spent up to now is 140.1 secs Computing kpt #: 444 total cpu time spent up to now is 140.3 secs Computing kpt #: 445 total cpu time spent up to now is 140.5 secs Computing kpt #: 446 total cpu time spent up to now is 140.7 secs Computing kpt #: 447 total cpu time spent up to now is 140.9 secs Computing kpt #: 448 total cpu time spent up to now is 141.0 secs Computing kpt #: 449 total cpu time spent up to now is 141.2 secs Computing kpt #: 450 total cpu time spent up to now is 141.4 secs Computing kpt #: 451 total cpu time spent up to now is 141.6 secs Computing kpt #: 452 total cpu time spent up to now is 141.8 secs Computing kpt #: 453 total cpu time spent up to now is 141.9 secs Computing kpt #: 454 total cpu time spent up to now is 142.1 secs Computing kpt #: 455 total cpu time spent up to now is 142.3 secs Computing kpt #: 456 total cpu time spent up to now is 142.5 secs Computing kpt #: 457 total cpu time spent up to now is 142.7 secs Computing kpt #: 458 total cpu time spent up to now is 142.8 secs Computing kpt #: 459 total cpu time spent up to now is 143.0 secs Computing kpt #: 460 total cpu time spent up to now is 143.2 secs Computing kpt #: 461 total cpu time spent up to now is 143.4 secs Computing kpt #: 462 total cpu time spent up to now is 143.5 secs Computing kpt #: 463 total cpu time spent up to now is 143.8 secs Computing kpt #: 464 total cpu time spent up to now is 144.0 secs Computing kpt #: 465 total cpu time spent up to now is 144.2 secs Computing kpt #: 466 total cpu time spent up to now is 144.4 secs Computing kpt #: 467 total cpu time spent up to now is 144.6 secs Computing kpt #: 468 total cpu time spent up to now is 144.8 secs Computing kpt #: 469 total cpu time spent up to now is 145.0 secs Computing kpt #: 470 total cpu time spent up to now is 145.2 secs Computing kpt #: 471 total cpu time spent up to now is 145.4 secs Computing kpt #: 472 total cpu time spent up to now is 145.6 secs Computing kpt #: 473 total cpu time spent up to now is 145.8 secs Computing kpt #: 474 total cpu time spent up to now is 146.0 secs Computing kpt #: 475 total cpu time spent up to now is 146.1 secs Computing kpt #: 476 total cpu time spent up to now is 146.3 secs Computing kpt #: 477 total cpu time spent up to now is 146.5 secs Computing kpt #: 478 total cpu time spent up to now is 146.7 secs Computing kpt #: 479 total cpu time spent up to now is 146.9 secs Computing kpt #: 480 total cpu time spent up to now is 147.0 secs Computing kpt #: 481 total cpu time spent up to now is 147.2 secs Computing kpt #: 482 total cpu time spent up to now is 147.4 secs Computing kpt #: 483 total cpu time spent up to now is 147.6 secs Computing kpt #: 484 total cpu time spent up to now is 147.8 secs Computing kpt #: 485 total cpu time spent up to now is 147.9 secs Computing kpt #: 486 total cpu time spent up to now is 148.1 secs Computing kpt #: 487 total cpu time spent up to now is 148.3 secs Computing kpt #: 488 total cpu time spent up to now is 148.5 secs Computing kpt #: 489 total cpu time spent up to now is 148.7 secs Computing kpt #: 490 total cpu time spent up to now is 148.9 secs Computing kpt #: 491 total cpu time spent up to now is 149.0 secs Computing kpt #: 492 total cpu time spent up to now is 149.2 secs Computing kpt #: 493 total cpu time spent up to now is 149.4 secs Computing kpt #: 494 total cpu time spent up to now is 149.6 secs Computing kpt #: 495 total cpu time spent up to now is 149.8 secs Computing kpt #: 496 total cpu time spent up to now is 150.0 secs Computing kpt #: 497 total cpu time spent up to now is 150.3 secs Computing kpt #: 498 total cpu time spent up to now is 150.5 secs Computing kpt #: 499 total cpu time spent up to now is 150.7 secs ethr = 6.25E-11, avg # of iterations = 18.7 total cpu time spent up to now is 150.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 645 PWs) bands (ev): -8.7739 -8.7739 8.5555 8.5555 8.6047 8.6047 8.6047 8.6047 9.8021 9.8021 9.8021 9.8021 9.9571 9.9571 10.2744 10.2744 10.2744 10.2744 13.2926 13.2926 29.6303 29.6303 30.7504 30.7504 k = 0.0066-0.0038 0.0054 ( 645 PWs) bands (ev): -8.7733 -8.7733 8.5511 8.5511 8.5978 8.5978 8.6027 8.6027 9.8025 9.8025 9.8047 9.8047 9.9583 9.9583 10.2746 10.2746 10.2805 10.2805 13.2970 13.2970 29.6028 29.6028 30.7432 30.7432 k = 0.0132-0.0076 0.0107 ( 645 PWs) bands (ev): -8.7713 -8.7713 8.5349 8.5349 8.5806 8.5806 8.5968 8.5968 9.8037 9.8037 9.8122 9.8122 9.9621 9.9621 10.2751 10.2751 10.2983 10.2983 13.3103 13.3103 29.5279 29.5279 30.7220 30.7220 k = 0.0197-0.0114 0.0161 ( 645 PWs) bands (ev): -8.7681 -8.7681 8.4999 8.4999 8.5618 8.5618 8.5871 8.5871 9.8053 9.8053 9.8244 9.8244 9.9687 9.9687 10.2760 10.2760 10.3266 10.3266 13.3325 13.3325 29.4207 29.4207 30.6874 30.6874 k = 0.0263-0.0152 0.0215 ( 645 PWs) bands (ev): -8.7635 -8.7635 8.4458 8.4458 8.5441 8.5441 8.5739 8.5739 9.8068 9.8068 9.8407 9.8407 9.9783 9.9783 10.2773 10.2773 10.3636 10.3636 13.3635 13.3635 29.2945 29.2945 30.6408 30.6408 k = 0.0329-0.0190 0.0269 ( 653 PWs) bands (ev): -8.7577 -8.7577 8.3770 8.3770 8.5253 8.5253 8.5573 8.5573 9.8077 9.8077 9.8603 9.8603 9.9909 9.9909 10.2789 10.2789 10.4071 10.4071 13.4031 13.4031 29.1577 29.1577 30.5836 30.5836 k = 0.0395-0.0228 0.0322 ( 653 PWs) bands (ev): -8.7506 -8.7506 8.2973 8.2973 8.5044 8.5044 8.5378 8.5378 9.8077 9.8077 9.8833 9.8833 10.0069 10.0069 10.2809 10.2809 10.4557 10.4557 13.4513 13.4513 29.0154 29.0154 30.5173 30.5173 k = 0.0461-0.0266 0.0376 ( 665 PWs) bands (ev): -8.7422 -8.7422 8.2092 8.2092 8.4812 8.4812 8.5156 8.5156 9.8064 9.8064 9.9085 9.9085 10.0257 10.0257 10.2831 10.2831 10.5073 10.5073 13.5079 13.5079 28.8706 28.8706 30.4436 30.4436 k = 0.0526-0.0304 0.0430 ( 665 PWs) bands (ev): -8.7326 -8.7326 8.1146 8.1146 8.4559 8.4559 8.4911 8.4911 9.8039 9.8039 9.9366 9.9366 10.0477 10.0477 10.2861 10.2861 10.5604 10.5604 13.5726 13.5726 28.7251 28.7251 30.3638 30.3638 k = 0.0592-0.0342 0.0483 ( 665 PWs) bands (ev): -8.7217 -8.7217 8.0149 8.0149 8.4287 8.4287 8.4646 8.4646 9.8001 9.8001 9.9666 9.9666 10.0722 10.0722 10.2896 10.2896 10.6139 10.6139 13.6451 13.6451 28.5801 28.5801 30.2794 30.2794 k = 0.0658-0.0380 0.0537 ( 665 PWs) bands (ev): -8.7096 -8.7096 7.9114 7.9114 8.4000 8.4000 8.4363 8.4363 9.7950 9.7950 9.9982 9.9982 10.0987 10.0987 10.2939 10.2939 10.6669 10.6669 13.7252 13.7252 28.4363 28.4363 30.1915 30.1915 k = 0.0724-0.0418 0.0591 ( 661 PWs) bands (ev): -8.6964 -8.6964 7.8051 7.8051 8.3699 8.3699 8.4067 8.4067 9.7887 9.7887 10.0313 10.0313 10.1266 10.1266 10.2990 10.2990 10.7189 10.7189 13.8124 13.8124 28.2941 28.2941 30.1012 30.1012 k = 0.0789-0.0456 0.0645 ( 669 PWs) bands (ev): -8.6819 -8.6819 7.6967 7.6967 8.3386 8.3386 8.3759 8.3759 9.7812 9.7812 10.0651 10.0651 10.1550 10.1550 10.3052 10.3052 10.7690 10.7690 13.9063 13.9063 28.1540 28.1540 30.0092 30.0092 k = 0.0855-0.0494 0.0698 ( 669 PWs) bands (ev): -8.6664 -8.6664 7.5869 7.5869 8.3065 8.3065 8.3442 8.3442 9.7727 9.7727 10.1001 10.1001 10.1836 10.1836 10.3132 10.3132 10.8172 10.8172 14.0064 14.0064 28.0161 28.0161 29.9163 29.9163 k = 0.0921-0.0532 0.0752 ( 665 PWs) bands (ev): -8.6497 -8.6497 7.4764 7.4764 8.2738 8.2738 8.3119 8.3119 9.7633 9.7633 10.1359 10.1359 10.2111 10.2111 10.3237 10.3237 10.8633 10.8633 14.1122 14.1122 27.8807 27.8807 29.8232 29.8232 k = 0.0987-0.0570 0.0806 ( 665 PWs) bands (ev): -8.6319 -8.6319 7.3655 7.3655 8.2406 8.2406 8.2790 8.2790 9.7530 9.7530 10.1719 10.1719 10.2358 10.2358 10.3378 10.3378 10.9072 10.9072 14.2233 14.2233 27.7478 27.7478 29.7302 29.7302 k = 0.1053-0.0608 0.0859 ( 665 PWs) bands (ev): -8.6131 -8.6131 7.2548 7.2548 8.2072 8.2072 8.2459 8.2459 9.7418 9.7418 10.2081 10.2081 10.2566 10.2566 10.3566 10.3566 10.9489 10.9489 14.3391 14.3391 27.6174 27.6174 29.6377 29.6377 k = 0.1118-0.0646 0.0913 ( 665 PWs) bands (ev): -8.5932 -8.5932 7.1445 7.1445 8.1736 8.1736 8.2126 8.2126 9.7298 9.7298 10.2444 10.2444 10.2731 10.2731 10.3804 10.3804 10.9884 10.9884 14.4591 14.4591 27.4898 27.4898 29.5458 29.5458 k = 0.1184-0.0684 0.0967 ( 665 PWs) bands (ev): -8.5724 -8.5724 7.0350 7.0350 8.1400 8.1400 8.1792 8.1792 9.7170 9.7170 10.2806 10.2806 10.2859 10.2859 10.4081 10.4081 11.0259 11.0259 14.5827 14.5827 27.3649 27.3649 29.4545 29.4545 k = 0.1250-0.0722 0.1021 ( 665 PWs) bands (ev): -8.5506 -8.5506 6.9265 6.9265 8.1065 8.1065 8.1459 8.1459 9.7035 9.7035 10.2964 10.2964 10.3166 10.3166 10.4384 10.4384 11.0615 11.0615 14.7096 14.7096 27.2427 27.2427 29.3627 29.3627 k = 0.1316-0.0760 0.1074 ( 665 PWs) bands (ev): -8.5280 -8.5280 6.8194 6.8194 8.0732 8.0732 8.1128 8.1128 9.6894 9.6894 10.3054 10.3054 10.3522 10.3522 10.4702 10.4702 11.0952 11.0952 14.8391 14.8391 27.1233 27.1233 29.2669 29.2669 k = 0.1382-0.0798 0.1128 ( 665 PWs) bands (ev): -8.5045 -8.5045 6.7137 6.7137 8.0402 8.0402 8.0800 8.0800 9.6746 9.6746 10.3136 10.3136 10.3873 10.3873 10.5027 10.5027 11.1271 11.1271 14.9709 14.9709 27.0066 27.0066 29.1520 29.1520 k = 0.1447-0.0836 0.1182 ( 665 PWs) bands (ev): -8.4801 -8.4801 6.6098 6.6098 8.0076 8.0076 8.0476 8.0476 9.6592 9.6592 10.3213 10.3213 10.4219 10.4219 10.5354 10.5354 11.1574 11.1574 15.1045 15.1045 26.8927 26.8927 28.9700 28.9700 k = 0.1513-0.0874 0.1235 ( 665 PWs) bands (ev): -8.4550 -8.4550 6.5077 6.5077 7.9755 7.9755 8.0156 8.0156 9.6432 9.6432 10.3288 10.3288 10.4557 10.4557 10.5679 10.5679 11.1862 11.1862 15.2395 15.2395 26.7815 26.7815 28.7226 28.7226 k = 0.1579-0.0912 0.1289 ( 665 PWs) bands (ev): -8.4292 -8.4292 6.4077 6.4077 7.9438 7.9438 7.9841 7.9841 9.6267 9.6267 10.3362 10.3362 10.4888 10.4888 10.6001 10.6001 11.2136 11.2136 15.3754 15.3754 26.6731 26.6731 28.4572 28.4572 k = 0.1645-0.0950 0.1343 ( 665 PWs) bands (ev): -8.4027 -8.4027 6.3099 6.3099 7.9128 7.9128 7.9532 7.9532 9.6097 9.6097 10.3436 10.3436 10.5209 10.5209 10.6317 10.6317 11.2396 11.2396 15.5119 15.5119 26.5674 26.5674 28.1886 28.1886 k = 0.1711-0.0988 0.1397 ( 665 PWs) bands (ev): -8.3756 -8.3756 6.2144 6.2144 7.8823 7.8823 7.9228 7.9228 9.5922 9.5922 10.3510 10.3510 10.5522 10.5522 10.6626 10.6626 11.2643 11.2643 15.6485 15.6485 26.4643 26.4643 27.9206 27.9206 k = 0.1776-0.1026 0.1450 ( 665 PWs) bands (ev): -8.3480 -8.3480 6.1213 6.1213 7.8525 7.8525 7.8932 7.8932 9.5744 9.5744 10.3585 10.3585 10.5824 10.5824 10.6927 10.6927 11.2878 11.2878 15.7850 15.7850 26.3640 26.3640 27.6547 27.6547 k = 0.1842-0.1064 0.1504 ( 665 PWs) bands (ev): -8.3198 -8.3198 6.0308 6.0308 7.8235 7.8235 7.8642 7.8642 9.5561 9.5561 10.3660 10.3660 10.6116 10.6116 10.7219 10.7219 11.3100 11.3100 15.9209 15.9209 26.2664 26.2664 27.3918 27.3918 k = 0.1908-0.1102 0.1558 ( 665 PWs) bands (ev): -8.2911 -8.2911 5.9431 5.9431 7.7951 7.7951 7.8359 7.8359 9.5375 9.5375 10.3736 10.3736 10.6396 10.6396 10.7500 10.7500 11.3312 11.3312 16.0559 16.0559 26.1713 26.1713 27.1322 27.1322 k = 0.1974-0.1140 0.1612 ( 665 PWs) bands (ev): -8.2621 -8.2621 5.8579 5.8579 7.7675 7.7675 7.8084 7.8084 9.5186 9.5186 10.3813 10.3813 10.6665 10.6665 10.7771 10.7771 11.3512 11.3512 16.1898 16.1898 26.0789 26.0789 26.8764 26.8764 k = 0.2039-0.1177 0.1665 ( 665 PWs) bands (ev): -8.2327 -8.2327 5.7756 5.7756 7.7407 7.7407 7.7817 7.7817 9.4994 9.4994 10.3890 10.3890 10.6921 10.6921 10.8031 10.8031 11.3701 11.3701 16.3221 16.3221 25.9891 25.9891 26.6248 26.6248 k = 0.2105-0.1215 0.1719 ( 665 PWs) bands (ev): -8.2030 -8.2030 5.6961 5.6961 7.7147 7.7147 7.7558 7.7558 9.4800 9.4800 10.3968 10.3968 10.7165 10.7165 10.8279 10.8279 11.3878 11.3878 16.4526 16.4526 25.9018 25.9018 26.3776 26.3776 k = 0.2171-0.1253 0.1773 ( 665 PWs) bands (ev): -8.1731 -8.1731 5.6196 5.6196 7.6896 7.6896 7.7307 7.7307 9.4603 9.4603 10.4047 10.4047 10.7397 10.7397 10.8515 10.8515 11.4045 11.4045 16.5809 16.5809 25.8171 25.8171 26.1352 26.1352 k = 0.2237-0.1291 0.1826 ( 665 PWs) bands (ev): -8.1430 -8.1430 5.5461 5.5461 7.6652 7.6652 7.7065 7.7065 9.4405 9.4405 10.4127 10.4127 10.7616 10.7616 10.8739 10.8739 11.4200 11.4200 16.7067 16.7067 25.7348 25.7348 25.8979 25.8979 k = 0.2303-0.1329 0.1880 ( 665 PWs) bands (ev): -8.1128 -8.1128 5.4757 5.4757 7.6418 7.6418 7.6831 7.6831 9.4206 9.4206 10.4207 10.4207 10.7821 10.7821 10.8950 10.8950 11.4344 11.4344 16.8297 16.8297 25.6550 25.6550 25.6659 25.6659 k = 0.2368-0.1367 0.1934 ( 665 PWs) bands (ev): -8.0826 -8.0826 5.4083 5.4083 7.6191 7.6191 7.6605 7.6605 9.4006 9.4006 10.4287 10.4287 10.8013 10.8013 10.9149 10.9149 11.4476 11.4476 16.9496 16.9496 25.4396 25.4396 25.5777 25.5777 k = 0.2434-0.1405 0.1988 ( 657 PWs) bands (ev): -8.0523 -8.0523 5.3441 5.3441 7.5974 7.5974 7.6388 7.6388 9.3806 9.3806 10.4372 10.4372 10.8194 10.8194 10.9336 10.9336 11.4598 11.4598 17.0661 17.0661 25.2192 25.2192 25.5027 25.5027 k = 0.2500-0.1443 0.2041 ( 649 PWs) bands (ev): -8.0221 -8.0221 5.2831 5.2831 7.5765 7.5765 7.6180 7.6180 9.3606 9.3606 10.4452 10.4452 10.8363 10.8363 10.9512 10.9512 11.4708 11.4708 17.1790 17.1790 25.0052 25.0052 25.4302 25.4302 k = 0.2566-0.1481 0.2095 ( 653 PWs) bands (ev): -7.9921 -7.9921 5.2250 5.2250 7.5565 7.5565 7.5981 7.5981 9.3405 9.3405 10.4533 10.4533 10.8515 10.8515 10.9671 10.9671 11.4801 11.4801 17.2877 17.2877 24.7977 24.7977 25.3599 25.3599 k = 0.2632-0.1519 0.2149 ( 653 PWs) bands (ev): -7.9622 -7.9622 5.1703 5.1703 7.5373 7.5373 7.5790 7.5790 9.3205 9.3205 10.4613 10.4613 10.8655 10.8655 10.9819 10.9819 11.4885 11.4885 17.3921 17.3921 24.5971 24.5971 25.2920 25.2920 k = 0.2697-0.1557 0.2202 ( 657 PWs) bands (ev): -7.9325 -7.9325 5.1187 5.1187 7.5190 7.5190 7.5607 7.5607 9.3002 9.3002 10.4693 10.4693 10.8781 10.8781 10.9953 10.9953 11.4954 11.4954 17.4918 17.4918 24.4038 24.4038 25.2264 25.2264 k = 0.2763-0.1595 0.2256 ( 657 PWs) bands (ev): -7.9032 -7.9032 5.0703 5.0703 7.5015 7.5015 7.5433 7.5433 9.2804 9.2804 10.4773 10.4773 10.8895 10.8895 11.0075 11.0075 11.5012 11.5012 17.5866 17.5866 24.2179 24.2179 25.1630 25.1630 k = 0.2829-0.1633 0.2310 ( 657 PWs) bands (ev): -7.8741 -7.8741 5.0251 5.0251 7.4849 7.4849 7.5267 7.5267 9.2607 9.2607 10.4852 10.4852 10.8996 10.8996 11.0185 11.0185 11.5055 11.5055 17.6761 17.6761 24.0400 24.0400 25.1019 25.1019 k = 0.2895-0.1671 0.2364 ( 657 PWs) bands (ev): -7.8455 -7.8455 4.9830 4.9830 7.4691 7.4691 7.5110 7.5110 9.2412 9.2412 10.4931 10.4931 10.9086 10.9086 11.0283 11.0283 11.5085 11.5085 17.7601 17.7601 23.8701 23.8701 25.0429 25.0429 k = 0.2961-0.1709 0.2417 ( 657 PWs) bands (ev): -7.8173 -7.8173 4.9440 4.9440 7.4541 7.4541 7.4961 7.4961 9.2220 9.2220 10.5009 10.5009 10.9164 10.9164 11.0370 11.0370 11.5101 11.5101 17.8383 17.8383 23.7087 23.7087 24.9861 24.9861 k = 0.3026-0.1747 0.2471 ( 665 PWs) bands (ev): -7.7897 -7.7897 4.9081 4.9081 7.4399 7.4399 7.4819 7.4819 9.2025 9.2025 10.5084 10.5084 10.9230 10.9230 11.0445 11.0445 11.5101 11.5101 17.9104 17.9104 23.5561 23.5561 24.9314 24.9314 k = 0.3092-0.1785 0.2525 ( 664 PWs) bands (ev): -7.7625 -7.7625 4.8752 4.8752 7.4265 7.4265 7.4686 7.4686 9.1838 9.1838 10.5160 10.5160 10.9285 10.9285 11.0510 11.0510 11.5090 11.5090 17.9762 17.9762 23.4124 23.4124 24.8788 24.8788 k = 0.3158-0.1823 0.2578 ( 664 PWs) bands (ev): -7.7360 -7.7360 4.8453 4.8453 7.4139 7.4139 7.4560 7.4560 9.1654 9.1654 10.5234 10.5234 10.9330 10.9330 11.0565 11.0565 11.5064 11.5064 18.0357 18.0357 23.2778 23.2778 24.8283 24.8283 k = 0.3224-0.1861 0.2632 ( 672 PWs) bands (ev): -7.7101 -7.7101 4.8181 4.8181 7.4020 7.4020 7.4442 7.4442 9.1473 9.1473 10.5307 10.5307 10.9362 10.9362 11.0608 11.0608 11.5020 11.5020 18.0883 18.0883 23.1526 23.1526 24.7798 24.7798 k = 0.3289-0.1899 0.2686 ( 672 PWs) bands (ev): -7.6848 -7.6848 4.7938 4.7938 7.3908 7.3908 7.4331 7.4331 9.1297 9.1297 10.5379 10.5379 10.9388 10.9388 11.0644 11.0644 11.4966 11.4966 18.1345 18.1345 23.0368 23.0368 24.7334 24.7334 k = 0.3355-0.1937 0.2740 ( 680 PWs) bands (ev): -7.6603 -7.6603 4.7722 4.7722 7.3804 7.3804 7.4227 7.4227 9.1124 9.1124 10.5448 10.5448 10.9400 10.9400 11.0667 11.0667 11.4898 11.4898 18.1740 18.1740 22.9304 22.9304 24.6889 24.6889 k = 0.3421-0.1975 0.2793 ( 680 PWs) bands (ev): -7.6365 -7.6365 4.7532 4.7532 7.3707 7.3707 7.4130 7.4130 9.0956 9.0956 10.5516 10.5516 10.9408 10.9408 11.0687 11.0687 11.4818 11.4818 18.2070 18.2070 22.8334 22.8334 24.6464 24.6464 k = 0.3487-0.2013 0.2847 ( 680 PWs) bands (ev): -7.6135 -7.6135 4.7367 4.7367 7.3616 7.3616 7.4040 7.4040 9.0792 9.0792 10.5582 10.5582 10.9408 10.9408 11.0699 11.0699 11.4725 11.4725 18.2336 18.2336 22.7457 22.7457 24.6059 24.6059 k = 0.3553-0.2051 0.2901 ( 672 PWs) bands (ev): -7.5913 -7.5913 4.7226 4.7226 7.3532 7.3532 7.3956 7.3956 9.0637 9.0637 10.5647 10.5647 10.9405 10.9405 11.0708 11.0708 11.4621 11.4621 18.2540 18.2540 22.6670 22.6670 24.5673 24.5673 k = 0.3618-0.2089 0.2954 ( 672 PWs) bands (ev): -7.5699 -7.5699 4.7107 4.7107 7.3453 7.3453 7.3879 7.3879 9.0484 9.0484 10.5709 10.5709 10.9391 10.9391 11.0707 11.0707 11.4506 11.4506 18.2685 18.2685 22.5971 22.5971 24.5305 24.5305 k = 0.3684-0.2127 0.3008 ( 672 PWs) bands (ev): -7.5494 -7.5494 4.7010 4.7010 7.3381 7.3381 7.3807 7.3807 9.0336 9.0336 10.5769 10.5769 10.9372 10.9372 11.0701 11.0701 11.4381 11.4381 18.2775 18.2775 22.5354 22.5354 24.4956 24.4956 k = 0.3750-0.2165 0.3062 ( 672 PWs) bands (ev): -7.5298 -7.5298 4.6932 4.6932 7.3314 7.3314 7.3741 7.3741 9.0194 9.0194 10.5827 10.5827 10.9347 10.9347 11.0690 11.0690 11.4247 11.4247 18.2816 18.2816 22.4817 22.4817 24.4626 24.4626 k = 0.3816-0.2203 0.3116 ( 672 PWs) bands (ev): -7.5111 -7.5111 4.6872 4.6872 7.3253 7.3253 7.3680 7.3680 9.0058 9.0058 10.5882 10.5882 10.9317 10.9317 11.0676 11.0676 11.4106 11.4106 18.2812 18.2812 22.4353 22.4353 24.4314 24.4314 k = 0.3882-0.2241 0.3169 ( 672 PWs) bands (ev): -7.4934 -7.4934 4.6829 4.6829 7.3197 7.3197 7.3624 7.3624 8.9928 8.9928 10.5934 10.5934 10.9284 10.9284 11.0657 11.0657 11.3960 11.3960 18.2768 18.2768 22.3956 22.3956 24.4020 24.4020 k = 0.3947-0.2279 0.3223 ( 672 PWs) bands (ev): -7.4766 -7.4766 4.6801 4.6801 7.3146 7.3146 7.3574 7.3574 8.9804 8.9804 10.5984 10.5984 10.9247 10.9247 11.0636 11.0636 11.3808 11.3808 18.2691 18.2691 22.3621 22.3621 24.3744 24.3744 k = 0.4013-0.2317 0.3277 ( 672 PWs) bands (ev): -7.4607 -7.4607 4.6786 4.6786 7.3099 7.3099 7.3527 7.3527 8.9687 8.9687 10.6032 10.6032 10.9207 10.9207 11.0613 11.0613 11.3654 11.3654 18.2587 18.2587 22.3342 22.3342 24.3486 24.3486 k = 0.4079-0.2355 0.3330 ( 676 PWs) bands (ev): -7.4459 -7.4459 4.6782 4.6782 7.3057 7.3057 7.3485 7.3485 8.9576 8.9576 10.6074 10.6074 10.9165 10.9165 11.0587 11.0587 11.3499 11.3499 18.2460 18.2460 22.3112 22.3112 24.3245 24.3245 k = 0.4145-0.2393 0.3384 ( 676 PWs) bands (ev): -7.4320 -7.4320 4.6789 4.6789 7.3019 7.3019 7.3448 7.3448 8.9472 8.9472 10.6116 10.6116 10.9121 10.9121 11.0561 11.0561 11.3345 11.3345 18.2318 18.2318 22.2926 22.2926 24.3021 24.3021 k = 0.4211-0.2431 0.3438 ( 676 PWs) bands (ev): -7.4191 -7.4191 4.6804 4.6804 7.2985 7.2985 7.3414 7.3414 8.9376 8.9376 10.6155 10.6155 10.9077 10.9077 11.0535 11.0535 11.3193 11.3193 18.2166 18.2166 22.2776 22.2776 24.2814 24.2814 k = 0.4276-0.2469 0.3492 ( 676 PWs) bands (ev): -7.4073 -7.4073 4.6825 4.6825 7.2954 7.2954 7.3384 7.3384 8.9286 8.9286 10.6191 10.6191 10.9033 10.9033 11.0508 11.0508 11.3046 11.3046 18.2008 18.2008 22.2659 22.2659 24.2625 24.2625 k = 0.4342-0.2507 0.3545 ( 676 PWs) bands (ev): -7.3964 -7.3964 4.6851 4.6851 7.2927 7.2927 7.3357 7.3357 8.9204 8.9204 10.6224 10.6224 10.8990 10.8990 11.0482 11.0482 11.2905 11.2905 18.1849 18.1849 22.2569 22.2569 24.2452 24.2452 k = 0.4408-0.2545 0.3599 ( 676 PWs) bands (ev): -7.3866 -7.3866 4.6880 4.6880 7.2904 7.2904 7.3333 7.3333 8.9129 8.9129 10.6253 10.6253 10.8948 10.8948 11.0458 11.0458 11.2771 11.2771 18.1693 18.1693 22.2501 22.2501 24.2297 24.2297 k = 0.4474-0.2583 0.3653 ( 676 PWs) bands (ev): -7.3778 -7.3778 4.6911 4.6911 7.2883 7.2883 7.3313 7.3313 8.9062 8.9062 10.6280 10.6280 10.8907 10.8907 11.0434 11.0434 11.2647 11.2647 18.1544 18.1544 22.2451 22.2451 24.2158 24.2158 k = 0.4539-0.2621 0.3706 ( 676 PWs) bands (ev): -7.3700 -7.3700 4.6942 4.6942 7.2865 7.2865 7.3295 7.3295 8.9003 8.9003 10.6304 10.6304 10.8870 10.8870 11.0413 11.0413 11.2535 11.2535 18.1406 18.1406 22.2416 22.2416 24.2035 24.2035 k = 0.4605-0.2659 0.3760 ( 676 PWs) bands (ev): -7.3633 -7.3633 4.6972 4.6972 7.2850 7.2850 7.3280 7.3280 8.8951 8.8951 10.6325 10.6325 10.8836 10.8836 11.0393 11.0393 11.2434 11.2434 18.1281 18.1281 22.2391 22.2391 24.1929 24.1929 k = 0.4671-0.2697 0.3814 ( 676 PWs) bands (ev): -7.3576 -7.3576 4.6999 4.6999 7.2837 7.2837 7.3268 7.3268 8.8907 8.8907 10.6342 10.6342 10.8805 10.8805 11.0376 11.0376 11.2347 11.2347 18.1171 18.1171 22.2375 22.2375 24.1840 24.1840 k = 0.4737-0.2735 0.3868 ( 676 PWs) bands (ev): -7.3529 -7.3529 4.7023 4.7023 7.2827 7.2827 7.3258 7.3258 8.8871 8.8871 10.6356 10.6356 10.8780 10.8780 11.0362 11.0362 11.2274 11.2274 18.1078 18.1078 22.2365 22.2365 24.1767 24.1767 k = 0.4803-0.2773 0.3921 ( 676 PWs) bands (ev): -7.3493 -7.3493 4.7043 4.7043 7.2819 7.2819 7.3250 7.3250 8.8843 8.8843 10.6368 10.6368 10.8759 10.8759 11.0351 11.0351 11.2217 11.2217 18.1005 18.1005 22.2359 22.2359 24.1710 24.1710 k = 0.4868-0.2811 0.3975 ( 676 PWs) bands (ev): -7.3467 -7.3467 4.7057 4.7057 7.2814 7.2814 7.3245 7.3245 8.8823 8.8823 10.6376 10.6376 10.8744 10.8744 11.0343 11.0343 11.2176 11.2176 18.0951 18.0951 22.2356 22.2356 24.1669 24.1669 k = 0.4934-0.2849 0.4029 ( 684 PWs) bands (ev): -7.3451 -7.3451 4.7066 4.7066 7.2811 7.2811 7.3241 7.3241 8.8809 8.8809 10.6378 10.6378 10.8733 10.8733 11.0335 11.0335 11.2150 11.2150 18.0919 18.0919 22.2354 22.2354 24.1645 24.1645 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -7.3446 -7.3446 4.7069 4.7069 7.2809 7.2809 7.3240 7.3240 8.8805 8.8805 10.6379 10.6379 10.8727 10.8727 11.0332 11.0332 11.2136 11.2136 18.0908 18.0908 22.2351 22.2351 24.1636 24.1636 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -7.3446 -7.3446 4.7069 4.7069 7.2809 7.2809 7.3240 7.3240 8.8805 8.8805 10.6379 10.6379 10.8727 10.8727 11.0332 11.0332 11.2136 11.2136 18.0908 18.0908 22.2351 22.2351 24.1636 24.1636 k = 0.5000-0.2811 0.4136 ( 686 PWs) bands (ev): -7.3444 -7.3444 4.7075 4.7075 7.2777 7.2777 7.3206 7.3206 8.8844 8.8844 10.6403 10.6403 10.8729 10.8729 11.0333 11.0333 11.2141 11.2141 18.0935 18.0935 22.2351 22.2351 24.1600 24.1600 k = 0.5000-0.2735 0.4190 ( 676 PWs) bands (ev): -7.3439 -7.3439 4.7091 4.7091 7.2679 7.2679 7.3102 7.3102 8.8955 8.8955 10.6472 10.6472 10.8732 10.8732 11.0336 11.0336 11.2158 11.2158 18.1017 18.1017 22.2349 22.2349 24.1491 24.1491 k = 0.5000-0.2659 0.4244 ( 676 PWs) bands (ev): -7.3431 -7.3431 4.7119 4.7119 7.2518 7.2518 7.2933 7.2933 8.9133 8.9133 10.6580 10.6580 10.8735 10.8735 11.0336 11.0336 11.2180 11.2180 18.1152 18.1152 22.2343 22.2343 24.1311 24.1311 k = 0.5000-0.2583 0.4297 ( 676 PWs) bands (ev): -7.3419 -7.3419 4.7159 4.7159 7.2297 7.2297 7.2702 7.2702 8.9376 8.9376 10.6727 10.6727 10.8738 10.8738 11.0337 11.0337 11.2212 11.2212 18.1342 18.1342 22.2335 22.2335 24.1064 24.1064 k = 0.5000-0.2507 0.4351 ( 676 PWs) bands (ev): -7.3404 -7.3404 4.7209 4.7209 7.2020 7.2020 7.2415 7.2415 8.9676 8.9676 10.6906 10.6906 10.8743 10.8743 11.0339 11.0339 11.2256 11.2256 18.1585 18.1585 22.2325 22.2325 24.0754 24.0754 k = 0.5000-0.2431 0.4405 ( 670 PWs) bands (ev): -7.3385 -7.3385 4.7271 4.7271 7.1691 7.1691 7.2078 7.2078 9.0028 9.0028 10.7113 10.7113 10.8752 10.8752 11.0343 11.0343 11.2315 11.2315 18.1882 18.1882 22.2314 22.2314 24.0387 24.0387 k = 0.5000-0.2355 0.4459 ( 670 PWs) bands (ev): -7.3364 -7.3364 4.7344 4.7344 7.1317 7.1317 7.1696 7.1696 9.0425 9.0425 10.7337 10.7337 10.8763 10.8763 11.0347 11.0347 11.2384 11.2384 18.2231 18.2231 22.2301 22.2301 23.9968 23.9968 k = 0.5000-0.2279 0.4512 ( 666 PWs) bands (ev): -7.3340 -7.3340 4.7429 4.7429 7.0903 7.0903 7.1276 7.1276 9.0864 9.0864 10.7568 10.7568 10.8779 10.8779 11.0353 11.0353 11.2472 11.2472 18.2632 18.2632 22.2286 22.2286 23.9504 23.9504 k = 0.5000-0.2203 0.4566 ( 666 PWs) bands (ev): -7.3313 -7.3313 4.7524 4.7524 7.0455 7.0455 7.0822 7.0822 9.1331 9.1331 10.7796 10.7796 10.8804 10.8804 11.0361 11.0361 11.2577 11.2577 18.3085 18.3085 22.2271 22.2271 23.9001 23.9001 k = 0.5000-0.2127 0.4620 ( 666 PWs) bands (ev): -7.3283 -7.3283 4.7631 4.7631 6.9979 6.9979 7.0340 7.0340 9.1825 9.1825 10.8004 10.8004 10.8844 10.8844 11.0372 11.0372 11.2703 11.2703 18.3589 18.3589 22.2255 22.2255 23.8464 23.8464 k = 0.5000-0.2051 0.4673 ( 666 PWs) bands (ev): -7.3251 -7.3251 4.7750 4.7750 6.9479 6.9479 6.9834 6.9834 9.2339 9.2339 10.8178 10.8178 10.8906 10.8906 11.0388 11.0388 11.2854 11.2854 18.4141 18.4141 22.2240 22.2240 23.7901 23.7901 k = 0.5000-0.1975 0.4727 ( 666 PWs) bands (ev): -7.3217 -7.3217 4.7879 4.7879 6.8960 6.8960 6.9310 6.9310 9.2871 9.2871 10.8304 10.8304 10.8993 10.8993 11.0409 11.0409 11.3031 11.3031 18.4742 18.4742 22.2224 22.2224 23.7315 23.7315 k = 0.5000-0.1899 0.4781 ( 666 PWs) bands (ev): -7.3181 -7.3181 4.8020 4.8020 6.8427 6.8427 6.8771 6.8771 9.3415 9.3415 10.8383 10.8383 10.9099 10.9099 11.0437 11.0437 11.3235 11.3235 18.5390 18.5390 22.2210 22.2210 23.6713 23.6713 k = 0.5000-0.1823 0.4835 ( 670 PWs) bands (ev): -7.3143 -7.3143 4.8173 4.8173 6.7881 6.7881 6.8223 6.8223 9.3969 9.3969 10.8426 10.8426 10.9204 10.9204 11.0471 11.0471 11.3465 11.3465 18.6081 18.6081 22.2197 22.2197 23.6099 23.6099 k = 0.5000-0.1747 0.4888 ( 670 PWs) bands (ev): -7.3104 -7.3104 4.8337 4.8337 6.7327 6.7327 6.7669 6.7669 9.4529 9.4529 10.8446 10.8446 10.9298 10.9298 11.0512 11.0512 11.3721 11.3721 18.6816 18.6816 22.2187 22.2187 23.5478 23.5478 k = 0.5000-0.1671 0.4942 ( 670 PWs) bands (ev): -7.3063 -7.3063 4.8512 4.8512 6.6766 6.6766 6.7114 6.7114 9.5093 9.5093 10.8451 10.8451 10.9373 10.9373 11.0559 11.0559 11.3999 11.3999 18.7591 18.7591 22.2179 22.2179 23.4853 23.4853 k = 0.5000-0.1595 0.4996 ( 670 PWs) bands (ev): -7.3022 -7.3022 4.8699 4.8699 6.6201 6.6201 6.6560 6.6560 9.5659 9.5659 10.8445 10.8445 10.9426 10.9426 11.0609 11.0609 11.4295 11.4295 18.8403 18.8403 22.2175 22.2175 23.4227 23.4227 k = 0.5000-0.1519 0.5049 ( 670 PWs) bands (ev): -7.2980 -7.2980 4.8897 4.8897 6.5634 6.5634 6.6012 6.6012 9.6224 9.6224 10.8429 10.8429 10.9459 10.9459 11.0659 11.0659 11.4603 11.4603 18.9250 18.9250 22.2176 22.2176 23.3605 23.3605 k = 0.5000-0.1443 0.5103 ( 674 PWs) bands (ev): -7.2938 -7.2938 4.9106 4.9106 6.5065 6.5065 6.5474 6.5474 9.6785 9.6785 10.8403 10.8403 10.9476 10.9476 11.0708 11.0708 11.4918 11.4918 19.0127 19.0127 22.2180 22.2180 23.2988 23.2988 k = 0.5000-0.1367 0.5157 ( 674 PWs) bands (ev): -7.2895 -7.2895 4.9328 4.9328 6.4497 6.4497 6.4947 6.4947 9.7343 9.7343 10.8370 10.8370 10.9481 10.9481 11.0755 11.0755 11.5236 11.5236 19.1032 19.1032 22.2191 22.2191 23.2379 23.2379 k = 0.5000-0.1291 0.5211 ( 674 PWs) bands (ev): -7.2853 -7.2853 4.9560 4.9560 6.3931 6.3931 6.4435 6.4435 9.7895 9.7895 10.8327 10.8327 10.9476 10.9476 11.0798 11.0798 11.5551 11.5551 19.1958 19.1958 22.2209 22.2209 23.1781 23.1781 k = 0.5000-0.1215 0.5264 ( 678 PWs) bands (ev): -7.2811 -7.2811 4.9805 4.9805 6.3367 6.3367 6.3940 6.3940 9.8437 9.8437 10.8275 10.8275 10.9465 10.9465 11.0837 11.0837 11.5861 11.5861 19.2903 19.2903 22.2233 22.2233 23.1195 23.1195 k = 0.5000-0.1140 0.5318 ( 678 PWs) bands (ev): -7.2770 -7.2770 5.0061 5.0061 6.2806 6.2806 6.3465 6.3465 9.8972 9.8972 10.8212 10.8212 10.9448 10.9448 11.0873 11.0873 11.6163 11.6163 19.3859 19.3859 22.2266 22.2266 23.0623 23.0623 k = 0.5000-0.1064 0.5372 ( 678 PWs) bands (ev): -7.2731 -7.2731 5.0328 5.0328 6.2251 6.2251 6.3012 6.3012 9.9498 9.9498 10.8137 10.8137 10.9430 10.9430 11.0905 11.0905 11.6452 11.6452 19.4821 19.4821 22.2308 22.2308 23.0066 23.0066 k = 0.5000-0.0988 0.5425 ( 674 PWs) bands (ev): -7.2692 -7.2692 5.0607 5.0607 6.1700 6.1700 6.2584 6.2584 10.0014 10.0014 10.8050 10.8050 10.9409 10.9409 11.0934 11.0934 11.6731 11.6731 19.5781 19.5781 22.2360 22.2360 22.9526 22.9526 k = 0.5000-0.0912 0.5479 ( 674 PWs) bands (ev): -7.2655 -7.2655 5.0898 5.0898 6.1156 6.1156 6.2179 6.2179 10.0518 10.0518 10.7948 10.7948 10.9389 10.9389 11.0960 11.0960 11.6991 11.6991 19.6733 19.6733 22.2423 22.2423 22.9004 22.9004 k = 0.5000-0.0836 0.5533 ( 674 PWs) bands (ev): -7.2620 -7.2620 5.1200 5.1200 6.0618 6.0618 6.1802 6.1802 10.1008 10.1008 10.7833 10.7833 10.9369 10.9369 11.0982 11.0982 11.7234 11.7234 19.7668 19.7668 22.2497 22.2497 22.8501 22.8501 k = 0.5000-0.0760 0.5587 ( 674 PWs) bands (ev): -7.2587 -7.2587 5.1513 5.1513 6.0088 6.0088 6.1452 6.1452 10.1486 10.1486 10.7702 10.7702 10.9351 10.9351 11.1003 11.1003 11.7458 11.7458 19.8576 19.8576 22.2584 22.2584 22.8017 22.8017 k = 0.5000-0.0684 0.5640 ( 678 PWs) bands (ev): -7.2557 -7.2557 5.1838 5.1838 5.9565 5.9565 6.1132 6.1132 10.1948 10.1948 10.7554 10.7554 10.9332 10.9332 11.1019 11.1019 11.7663 11.7663 19.9448 19.9448 22.2683 22.2683 22.7553 22.7553 k = 0.5000-0.0608 0.5694 ( 678 PWs) bands (ev): -7.2529 -7.2529 5.2175 5.2175 5.9051 5.9051 6.0843 6.0843 10.2395 10.2395 10.7392 10.7392 10.9317 10.9317 11.1035 11.1035 11.7848 11.7848 20.0273 20.0273 22.2797 22.2797 22.7110 22.7110 k = 0.5000-0.0532 0.5748 ( 678 PWs) bands (ev): -7.2504 -7.2504 5.2523 5.2523 5.8545 5.8545 6.0585 6.0585 10.2825 10.2825 10.7215 10.7215 10.9304 10.9304 11.1047 11.1047 11.8013 11.8013 20.1040 20.1040 22.2926 22.2926 22.6689 22.6689 k = 0.5000-0.0456 0.5801 ( 678 PWs) bands (ev): -7.2482 -7.2482 5.2882 5.2882 5.8049 5.8049 6.0360 6.0360 10.3240 10.3240 10.7021 10.7021 10.9293 10.9293 11.1059 11.1059 11.8156 11.8156 20.1737 20.1737 22.3070 22.3070 22.6288 22.6288 k = 0.5000-0.0380 0.5855 ( 678 PWs) bands (ev): -7.2463 -7.2463 5.3253 5.3253 5.7562 5.7562 6.0168 6.0168 10.3637 10.3637 10.6811 10.6811 10.9284 10.9284 11.1068 11.1068 11.8278 11.8278 20.2352 20.2352 22.3230 22.3230 22.5910 22.5910 k = 0.5000-0.0304 0.5909 ( 684 PWs) bands (ev): -7.2447 -7.2447 5.3635 5.3635 5.7084 5.7084 6.0009 6.0009 10.4014 10.4014 10.6587 10.6587 10.9277 10.9277 11.1075 11.1075 11.8374 11.8374 20.2874 20.2874 22.3406 22.3406 22.5553 22.5553 k = 0.5000-0.0228 0.5963 ( 684 PWs) bands (ev): -7.2435 -7.2435 5.4027 5.4027 5.6617 5.6617 5.9886 5.9886 10.4370 10.4370 10.6351 10.6351 10.9271 10.9271 11.1081 11.1081 11.8452 11.8452 20.3293 20.3293 22.3600 22.3600 22.5220 22.5220 k = 0.5000-0.0152 0.6016 ( 684 PWs) bands (ev): -7.2426 -7.2426 5.4431 5.4431 5.6160 5.6160 5.9797 5.9797 10.4698 10.4698 10.6109 10.6109 10.9267 10.9267 11.1085 11.1085 11.8507 11.8507 20.3599 20.3599 22.3808 22.3808 22.4911 22.4911 k = 0.5000-0.0076 0.6070 ( 684 PWs) bands (ev): -7.2420 -7.2420 5.4844 5.4844 5.5715 5.5715 5.9744 5.9744 10.4973 10.4973 10.5886 10.5886 10.9265 10.9265 11.1088 11.1088 11.8541 11.8541 20.3786 20.3786 22.4023 22.4023 22.4635 22.4635 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -7.2419 -7.2419 5.5214 5.5214 5.5334 5.5334 5.9727 5.9727 10.5103 10.5103 10.5773 10.5773 10.9264 10.9264 11.1089 11.1089 11.8552 11.8552 20.3849 20.3849 22.4164 22.4164 22.4474 22.4474 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -7.2419 -7.2419 5.5214 5.5214 5.5334 5.5334 5.9727 5.9727 10.5103 10.5103 10.5773 10.5773 10.9264 10.9264 11.1089 11.1089 11.8552 11.8552 20.3849 20.3849 22.4164 22.4164 22.4474 22.4474 k = 0.4954 0.0080 0.6124 ( 684 PWs) bands (ev): -7.2420 -7.2420 5.4969 5.4969 5.5556 5.5556 5.9758 5.9758 10.5032 10.5032 10.5833 10.5833 10.9269 10.9269 11.1094 11.1094 11.8553 11.8553 20.3825 20.3825 22.4078 22.4078 22.4537 22.4537 k = 0.4907 0.0160 0.6124 ( 684 PWs) bands (ev): -7.2425 -7.2425 5.4683 5.4683 5.5769 5.5769 5.9858 5.9858 10.4862 10.4862 10.5968 10.5968 10.9282 10.9282 11.1112 11.1112 11.8555 11.8555 20.3753 20.3753 22.3930 22.3930 22.4611 22.4611 k = 0.4861 0.0241 0.6124 ( 684 PWs) bands (ev): -7.2432 -7.2432 5.4406 5.4406 5.5919 5.5919 6.0029 6.0029 10.4644 10.4644 10.6129 10.6129 10.9305 10.9305 11.1142 11.1142 11.8559 11.8559 20.3636 20.3636 22.3777 22.3777 22.4638 22.4638 k = 0.4815 0.0321 0.6124 ( 684 PWs) bands (ev): -7.2442 -7.2442 5.4138 5.4138 5.6005 5.6005 6.0269 6.0269 10.4400 10.4400 10.6295 10.6295 10.9336 10.9336 11.1185 11.1185 11.8563 11.8563 20.3476 20.3476 22.3630 22.3630 22.4612 22.4612 k = 0.4769 0.0401 0.6124 ( 680 PWs) bands (ev): -7.2454 -7.2454 5.3880 5.3880 5.6037 5.6037 6.0567 6.0567 10.4143 10.4143 10.6458 10.6458 10.9375 10.9375 11.1242 11.1242 11.8569 11.8569 20.3276 20.3276 22.3490 22.3490 22.4534 22.4534 k = 0.4722 0.0481 0.6124 ( 677 PWs) bands (ev): -7.2468 -7.2468 5.3633 5.3633 5.6024 5.6024 6.0912 6.0912 10.3872 10.3872 10.6615 10.6615 10.9420 10.9420 11.1312 11.1312 11.8575 11.8575 20.3037 20.3037 22.3357 22.3357 22.4412 22.4412 k = 0.4676 0.0561 0.6124 ( 674 PWs) bands (ev): -7.2483 -7.2483 5.3396 5.3396 5.5979 5.5979 6.1290 6.1290 10.3593 10.3593 10.6763 10.6763 10.9470 10.9470 11.1395 11.1395 11.8581 11.8581 20.2765 20.2765 22.3232 22.3232 22.4253 22.4253 k = 0.4630 0.0642 0.6124 ( 676 PWs) bands (ev): -7.2500 -7.2500 5.3170 5.3170 5.5910 5.5910 6.1689 6.1689 10.3308 10.3308 10.6901 10.6901 10.9522 10.9522 11.1489 11.1489 11.8585 11.8585 20.2461 20.2461 22.3113 22.3113 22.4066 22.4066 k = 0.4583 0.0722 0.6124 ( 676 PWs) bands (ev): -7.2517 -7.2517 5.2954 5.2954 5.5826 5.5826 6.2101 6.2101 10.3021 10.3021 10.7032 10.7032 10.9576 10.9576 11.1596 11.1596 11.8589 11.8589 20.2129 20.2129 22.3001 22.3001 22.3860 22.3860 k = 0.4537 0.0802 0.6124 ( 678 PWs) bands (ev): -7.2535 -7.2535 5.2750 5.2750 5.5731 5.5731 6.2519 6.2519 10.2732 10.2732 10.7153 10.7153 10.9631 10.9631 11.1714 11.1714 11.8592 11.8592 20.1775 20.1775 22.2895 22.2895 22.3643 22.3643 k = 0.4491 0.0882 0.6124 ( 678 PWs) bands (ev): -7.2554 -7.2554 5.2557 5.2557 5.5632 5.5632 6.2936 6.2936 10.2446 10.2446 10.7266 10.7266 10.9688 10.9688 11.1842 11.1842 11.8593 11.8593 20.1402 20.1402 22.2793 22.2793 22.3424 22.3424 k = 0.4444 0.0962 0.6124 ( 678 PWs) bands (ev): -7.2573 -7.2573 5.2375 5.2375 5.5530 5.5530 6.3348 6.3348 10.2164 10.2164 10.7369 10.7369 10.9743 10.9743 11.1978 11.1978 11.8594 11.8594 20.1016 20.1016 22.2692 22.2692 22.3212 22.3212 k = 0.4398 0.1042 0.6124 ( 678 PWs) bands (ev): -7.2591 -7.2591 5.2205 5.2205 5.5428 5.5428 6.3750 6.3750 10.1888 10.1888 10.7463 10.7463 10.9798 10.9798 11.2121 11.2121 11.8593 11.8593 20.0621 20.0621 22.2589 22.2589 22.3013 22.3013 k = 0.4352 0.1123 0.6124 ( 674 PWs) bands (ev): -7.2610 -7.2610 5.2045 5.2045 5.5328 5.5328 6.4140 6.4140 10.1621 10.1621 10.7549 10.7549 10.9851 10.9851 11.2269 11.2269 11.8592 11.8592 20.0223 20.0223 22.2476 22.2476 22.2840 22.2840 k = 0.4306 0.1203 0.6124 ( 674 PWs) bands (ev): -7.2628 -7.2628 5.1898 5.1898 5.5232 5.5232 6.4513 6.4513 10.1363 10.1363 10.7627 10.7627 10.9901 10.9901 11.2419 11.2419 11.8589 11.8589 19.9827 19.9827 22.2348 22.2348 22.2701 22.2701 k = 0.4259 0.1283 0.6124 ( 674 PWs) bands (ev): -7.2645 -7.2645 5.1761 5.1761 5.5140 5.5140 6.4867 6.4867 10.1116 10.1116 10.7696 10.7696 10.9949 10.9949 11.2569 11.2569 11.8584 11.8584 19.9439 19.9439 22.2206 22.2206 22.2594 22.2594 k = 0.4213 0.1363 0.6124 ( 674 PWs) bands (ev): -7.2661 -7.2661 5.1637 5.1637 5.5054 5.5054 6.5198 6.5198 10.0884 10.0884 10.7759 10.7759 10.9995 10.9995 11.2717 11.2717 11.8577 11.8577 19.9064 19.9064 22.2060 22.2060 22.2513 22.2513 k = 0.4167 0.1443 0.6124 ( 674 PWs) bands (ev): -7.2677 -7.2677 5.1524 5.1524 5.4974 5.4974 6.5507 6.5507 10.0667 10.0667 10.7814 10.7814 11.0037 11.0037 11.2861 11.2861 11.8570 11.8570 19.8707 19.8707 22.1920 22.1920 22.2448 22.2448 k = 0.4120 0.1524 0.6124 ( 674 PWs) bands (ev): -7.2691 -7.2691 5.1423 5.1423 5.4901 5.4901 6.5789 6.5789 10.0467 10.0467 10.7862 10.7862 11.0075 11.0075 11.2997 11.2997 11.8562 11.8562 19.8373 19.8373 22.1790 22.1790 22.2395 22.2395 k = 0.4074 0.1604 0.6124 ( 674 PWs) bands (ev): -7.2704 -7.2704 5.1333 5.1333 5.4836 5.4836 6.6044 6.6044 10.0286 10.0286 10.7903 10.7903 11.0110 11.0110 11.3124 11.3124 11.8554 11.8554 19.8067 19.8067 22.1674 22.1674 22.2351 22.2351 k = 0.4028 0.1684 0.6124 ( 674 PWs) bands (ev): -7.2715 -7.2715 5.1256 5.1256 5.4778 5.4778 6.6268 6.6268 10.0126 10.0126 10.7938 10.7938 11.0141 11.0141 11.3239 11.3239 11.8545 11.8545 19.7793 19.7793 22.1572 22.1572 22.2314 22.2314 k = 0.3981 0.1764 0.6124 ( 674 PWs) bands (ev): -7.2725 -7.2725 5.1190 5.1190 5.4729 5.4729 6.6461 6.6461 9.9989 9.9989 10.7968 10.7968 11.0167 11.0167 11.3341 11.3341 11.8537 11.8537 19.7555 19.7555 22.1486 22.1486 22.2284 22.2284 k = 0.3935 0.1844 0.6124 ( 676 PWs) bands (ev): -7.2733 -7.2733 5.1136 5.1136 5.4688 5.4688 6.6620 6.6620 9.9873 9.9873 10.7991 10.7991 11.0189 11.0189 11.3426 11.3426 11.8530 11.8530 19.7355 19.7355 22.1415 22.1415 22.2259 22.2259 k = 0.3889 0.1925 0.6124 ( 676 PWs) bands (ev): -7.2740 -7.2740 5.1094 5.1094 5.4656 5.4656 6.6746 6.6746 9.9782 9.9782 10.8009 10.8009 11.0206 11.0206 11.3495 11.3495 11.8524 11.8524 19.7197 19.7197 22.1360 22.1360 22.2241 22.2241 k = 0.3843 0.2005 0.6124 ( 676 PWs) bands (ev): -7.2744 -7.2744 5.1064 5.1064 5.4633 5.4633 6.6836 6.6836 9.9717 9.9717 10.8022 10.8022 11.0218 11.0218 11.3545 11.3545 11.8519 11.8519 19.7082 19.7082 22.1321 22.1321 22.2227 22.2227 k = 0.3796 0.2085 0.6124 ( 676 PWs) bands (ev): -7.2747 -7.2747 5.1046 5.1046 5.4620 5.4620 6.6890 6.6890 9.9678 9.9678 10.8030 10.8030 11.0226 11.0226 11.3575 11.3575 11.8516 11.8516 19.7013 19.7013 22.1298 22.1298 22.2220 22.2220 k = 0.3750 0.2165 0.6124 ( 682 PWs) bands (ev): -7.2748 -7.2748 5.1040 5.1040 5.4615 5.4615 6.6908 6.6908 9.9664 9.9664 10.8031 10.8031 11.0226 11.0226 11.3585 11.3585 11.8513 11.8513 19.6990 19.6990 22.1289 22.1289 22.2217 22.2217 k = 0.3750 0.2165 0.6124 ( 682 PWs) bands (ev): -7.2748 -7.2748 5.1040 5.1040 5.4615 5.4615 6.6908 6.6908 9.9664 9.9664 10.8031 10.8031 11.0226 11.0226 11.3585 11.3585 11.8513 11.8513 19.6990 19.6990 22.1289 22.1289 22.2217 22.2217 k = 0.3703 0.2138 0.6047 ( 674 PWs) bands (ev): -7.2737 -7.2737 5.1337 5.1337 5.3850 5.3850 6.6641 6.6641 10.0118 10.0118 10.7946 10.7946 11.0245 11.0245 11.3611 11.3611 11.9165 11.9165 19.7998 19.7998 22.0081 22.0081 22.2242 22.2242 k = 0.3656 0.2111 0.5971 ( 674 PWs) bands (ev): -7.2731 -7.2731 5.1644 5.1644 5.3106 5.3106 6.6381 6.6381 10.0564 10.0564 10.7855 10.7855 11.0259 11.0259 11.3631 11.3631 11.9812 11.9812 19.9019 19.9019 21.8848 21.8848 22.2289 22.2289 k = 0.3609 0.2084 0.5894 ( 674 PWs) bands (ev): -7.2731 -7.2731 5.1959 5.1959 5.2388 5.2388 6.6131 6.6131 10.1001 10.1001 10.7760 10.7760 11.0272 11.0272 11.3645 11.3645 12.0454 12.0454 20.0053 20.0053 21.7601 21.7601 22.2349 22.2349 k = 0.3563 0.2057 0.5818 ( 674 PWs) bands (ev): -7.2738 -7.2738 5.1691 5.1691 5.2289 5.2289 6.5892 6.5892 10.1430 10.1430 10.7660 10.7660 11.0284 11.0284 11.3653 11.3653 12.1088 12.1088 20.1098 20.1098 21.6344 21.6344 22.2421 22.2421 k = 0.3516 0.2030 0.5741 ( 680 PWs) bands (ev): -7.2751 -7.2751 5.1024 5.1024 5.2623 5.2623 6.5663 6.5663 10.1846 10.1846 10.7556 10.7556 11.0293 11.0293 11.3655 11.3655 12.1711 12.1711 20.2153 20.2153 21.5079 21.5079 22.2506 22.2506 k = 0.3469 0.2003 0.5664 ( 680 PWs) bands (ev): -7.2772 -7.2772 5.0386 5.0386 5.2968 5.2968 6.5446 6.5446 10.2255 10.2255 10.7449 10.7449 11.0301 11.0301 11.3651 11.3651 12.2325 12.2325 20.3219 20.3219 21.3809 21.3809 22.2603 22.2603 k = 0.3422 0.1976 0.5588 ( 680 PWs) bands (ev): -7.2801 -7.2801 4.9778 4.9778 5.3323 5.3323 6.5241 6.5241 10.2652 10.2652 10.7338 10.7338 11.0308 11.0308 11.3642 11.3642 12.2927 12.2927 20.4293 20.4293 21.2534 21.2534 22.2714 22.2714 k = 0.3375 0.1949 0.5511 ( 680 PWs) bands (ev): -7.2838 -7.2838 4.9202 4.9202 5.3686 5.3686 6.5048 6.5048 10.3037 10.3037 10.7222 10.7222 11.0311 11.0311 11.3628 11.3628 12.3514 12.3514 20.5376 20.5376 21.1259 21.1259 22.2840 22.2840 k = 0.3328 0.1921 0.5435 ( 680 PWs) bands (ev): -7.2884 -7.2884 4.8658 4.8658 5.4059 5.4059 6.4868 6.4868 10.3409 10.3409 10.7104 10.7104 11.0313 11.0313 11.3608 11.3608 12.4085 12.4085 20.6460 20.6460 20.9988 20.9988 22.2981 22.2981 k = 0.3281 0.1894 0.5358 ( 680 PWs) bands (ev): -7.2939 -7.2939 4.8147 4.8147 5.4440 5.4440 6.4702 6.4702 10.3766 10.3766 10.6982 10.6982 11.0311 11.0311 11.3584 11.3584 12.4638 12.4638 20.7503 20.7503 20.8767 20.8767 22.3139 22.3139 k = 0.3234 0.1867 0.5282 ( 680 PWs) bands (ev): -7.3004 -7.3004 4.7672 4.7672 5.4831 5.4831 6.4549 6.4549 10.4108 10.4108 10.6856 10.6856 11.0306 11.0306 11.3555 11.3555 12.5172 12.5172 20.7301 20.7301 20.8801 20.8801 22.3313 22.3313 k = 0.3187 0.1840 0.5205 ( 680 PWs) bands (ev): -7.3078 -7.3078 4.7233 4.7233 5.5229 5.5229 6.4411 6.4411 10.4434 10.4434 10.6728 10.6728 11.0299 11.0299 11.3521 11.3521 12.5685 12.5685 20.6064 20.6064 20.9879 20.9879 22.3506 22.3506 k = 0.3141 0.1813 0.5129 ( 680 PWs) bands (ev): -7.3163 -7.3163 4.6830 4.6830 5.5637 5.5637 6.4287 6.4287 10.4742 10.4742 10.6596 10.6596 11.0287 11.0287 11.3483 11.3483 12.6176 12.6176 20.4790 20.4790 21.1008 21.1008 22.3717 22.3717 k = 0.3094 0.1786 0.5052 ( 680 PWs) bands (ev): -7.3259 -7.3259 4.6466 4.6466 5.6052 5.6052 6.4178 6.4178 10.5033 10.5033 10.6462 10.6462 11.0273 11.0273 11.3441 11.3441 12.6643 12.6643 20.3511 20.3511 21.2155 21.2155 22.3948 22.3948 k = 0.3047 0.1759 0.4976 ( 680 PWs) bands (ev): -7.3365 -7.3365 4.6140 4.6140 5.6476 5.6476 6.4083 6.4083 10.5304 10.5304 10.6325 10.6325 11.0254 11.0254 11.3395 11.3395 12.7084 12.7084 20.2231 20.2231 21.3316 21.3316 22.4200 22.4200 k = 0.3000 0.1732 0.4899 ( 678 PWs) bands (ev): -7.3481 -7.3481 4.5853 4.5853 5.6907 5.6907 6.4005 6.4005 10.5555 10.5555 10.6186 10.6186 11.0232 11.0232 11.3345 11.3345 12.7499 12.7499 20.0954 20.0954 21.4491 21.4491 22.4472 22.4472 k = 0.2953 0.1705 0.4822 ( 672 PWs) bands (ev): -7.3609 -7.3609 4.5606 4.5606 5.7347 5.7347 6.3942 6.3942 10.5782 10.5782 10.6048 10.6048 11.0208 11.0208 11.3295 11.3295 12.7885 12.7885 19.9679 19.9679 21.5681 21.5681 22.4767 22.4767 k = 0.2906 0.1678 0.4746 ( 672 PWs) bands (ev): -7.3748 -7.3748 4.5399 4.5399 5.7793 5.7793 6.3895 6.3895 10.5879 10.5879 10.6017 10.6017 11.0176 11.0176 11.3238 11.3238 12.8242 12.8242 19.8406 19.8406 21.6886 21.6886 22.5085 22.5085 k = 0.2859 0.1651 0.4669 ( 672 PWs) bands (ev): -7.3899 -7.3899 4.5233 4.5233 5.8247 5.8247 6.3863 6.3863 10.5744 10.5744 10.6194 10.6194 11.0139 11.0139 11.3178 11.3178 12.8568 12.8568 19.7138 19.7138 21.8106 21.8106 22.5427 22.5427 k = 0.2812 0.1624 0.4593 ( 672 PWs) bands (ev): -7.4060 -7.4060 4.5109 4.5109 5.8708 5.8708 6.3847 6.3847 10.5596 10.5596 10.6359 10.6359 11.0097 11.0097 11.3114 11.3114 12.8863 12.8863 19.5873 19.5873 21.9342 21.9342 22.5794 22.5794 k = 0.2766 0.1597 0.4516 ( 672 PWs) bands (ev): -7.4233 -7.4233 4.5025 4.5025 5.9177 5.9177 6.3848 6.3848 10.5445 10.5445 10.6504 10.6504 11.0050 11.0050 11.3047 11.3047 12.9124 12.9124 19.4612 19.4612 22.0594 22.0594 22.6187 22.6187 k = 0.2719 0.1570 0.4440 ( 674 PWs) bands (ev): -7.4417 -7.4417 4.4984 4.4984 5.9651 5.9651 6.3865 6.3865 10.5292 10.5292 10.6628 10.6628 10.9995 10.9995 11.2975 11.2975 12.9352 12.9352 19.3355 19.3355 22.1864 22.1864 22.6605 22.6605 k = 0.2672 0.1543 0.4363 ( 674 PWs) bands (ev): -7.4611 -7.4611 4.4984 4.4984 6.0132 6.0132 6.3899 6.3899 10.5137 10.5137 10.6730 10.6730 10.9936 10.9936 11.2900 11.2900 12.9545 12.9545 19.2103 19.2103 22.3151 22.3151 22.7053 22.7053 k = 0.2625 0.1516 0.4287 ( 674 PWs) bands (ev): -7.4817 -7.4817 4.5026 4.5026 6.0620 6.0620 6.3949 6.3949 10.4980 10.4980 10.6810 10.6810 10.9871 10.9871 11.2821 11.2821 12.9703 12.9703 19.0855 19.0855 22.4454 22.4454 22.7532 22.7532 k = 0.2578 0.1488 0.4210 ( 670 PWs) bands (ev): -7.5033 -7.5033 4.5110 4.5110 6.1113 6.1113 6.4017 6.4017 10.4823 10.4823 10.6871 10.6871 10.9799 10.9799 11.2737 11.2737 12.9826 12.9826 18.9612 18.9612 22.5771 22.5771 22.8045 22.8045 k = 0.2531 0.1461 0.4134 ( 670 PWs) bands (ev): -7.5259 -7.5259 4.5236 4.5236 6.1613 6.1613 6.4101 6.4101 10.4663 10.4663 10.6911 10.6911 10.9720 10.9720 11.2648 11.2648 12.9911 12.9911 18.8372 18.8372 22.7090 22.7090 22.8606 22.8606 k = 0.2484 0.1434 0.4057 ( 670 PWs) bands (ev): -7.5495 -7.5495 4.5403 4.5403 6.2117 6.2117 6.4202 6.4202 10.4503 10.4503 10.6932 10.6932 10.9634 10.9634 11.2554 11.2554 12.9959 12.9959 18.7136 18.7136 22.8364 22.8364 22.9262 22.9262 k = 0.2437 0.1407 0.3980 ( 670 PWs) bands (ev): -7.5740 -7.5740 4.5612 4.5612 6.2627 6.2627 6.4319 6.4319 10.4341 10.4341 10.6934 10.6934 10.9540 10.9540 11.2454 11.2454 12.9970 12.9970 18.5904 18.5904 22.9395 22.9395 23.0215 23.0215 k = 0.2391 0.1380 0.3904 ( 670 PWs) bands (ev): -7.5995 -7.5995 4.5862 4.5862 6.3142 6.3142 6.4454 6.4454 10.4179 10.4179 10.6919 10.6919 10.9439 10.9439 11.2347 11.2347 12.9943 12.9943 18.4675 18.4675 23.0141 23.0141 23.1504 23.1504 k = 0.2344 0.1353 0.3827 ( 672 PWs) bands (ev): -7.6258 -7.6258 4.6152 4.6152 6.3662 6.3662 6.4605 6.4605 10.4016 10.4016 10.6887 10.6887 10.9329 10.9329 11.2233 11.2233 12.9878 12.9878 18.3449 18.3449 23.0827 23.0827 23.2909 23.2909 k = 0.2297 0.1326 0.3751 ( 664 PWs) bands (ev): -7.6530 -7.6530 4.6482 4.6482 6.4186 6.4186 6.4777 6.4777 10.3853 10.3853 10.6841 10.6841 10.9215 10.9215 11.2113 11.2113 12.9778 12.9778 18.2226 18.2226 23.1521 23.1521 23.4361 23.4361 k = 0.2250 0.1299 0.3674 ( 664 PWs) bands (ev): -7.6809 -7.6809 4.6852 4.6852 6.4714 6.4714 6.4963 6.4963 10.3689 10.3689 10.6779 10.6779 10.9091 10.9091 11.1984 11.1984 12.9639 12.9639 18.1005 18.1005 23.2238 23.2238 23.5845 23.5845 k = 0.2203 0.1272 0.3598 ( 664 PWs) bands (ev): -7.7095 -7.7095 4.7261 4.7261 6.5159 6.5159 6.5254 6.5254 10.3524 10.3524 10.6703 10.6703 10.8958 10.8958 11.1848 11.1848 12.9463 12.9463 17.9785 17.9785 23.2982 23.2982 23.7359 23.7359 k = 0.2156 0.1245 0.3521 ( 664 PWs) bands (ev): -7.7388 -7.7388 4.7709 4.7709 6.5382 6.5382 6.5786 6.5786 10.3360 10.3360 10.6613 10.6613 10.8818 10.8818 11.1705 11.1705 12.9250 12.9250 17.8568 17.8568 23.3757 23.3757 23.8899 23.8899 k = 0.2109 0.1218 0.3445 ( 660 PWs) bands (ev): -7.7686 -7.7686 4.8194 4.8194 6.5620 6.5620 6.6325 6.6325 10.3196 10.3196 10.6514 10.6514 10.8670 10.8670 11.1553 11.1553 12.9003 12.9003 17.7352 17.7352 23.4562 23.4562 24.0466 24.0466 k = 0.2062 0.1191 0.3368 ( 660 PWs) bands (ev): -7.7990 -7.7990 4.8717 4.8717 6.5873 6.5873 6.6867 6.6867 10.3032 10.3032 10.6401 10.6401 10.8515 10.8515 11.1394 11.1394 12.8719 12.8719 17.6136 17.6136 23.5399 23.5399 24.2057 24.2057 k = 0.2016 0.1164 0.3292 ( 660 PWs) bands (ev): -7.8299 -7.8299 4.9276 4.9276 6.6143 6.6143 6.7412 6.7412 10.2869 10.2869 10.6277 10.6277 10.8352 10.8352 11.1227 11.1227 12.8401 12.8401 17.4920 17.4920 23.6269 23.6269 24.3674 24.3674 k = 0.1969 0.1137 0.3215 ( 660 PWs) bands (ev): -7.8612 -7.8612 4.9870 4.9870 6.6430 6.6430 6.7959 6.7959 10.2706 10.2706 10.6142 10.6142 10.8181 10.8181 11.1053 11.1053 12.8048 12.8048 17.3705 17.3705 23.7171 23.7171 24.5316 24.5316 k = 0.1922 0.1110 0.3138 ( 660 PWs) bands (ev): -7.8928 -7.8928 5.0499 5.0499 6.6733 6.6733 6.8508 6.8508 10.2544 10.2544 10.5999 10.5999 10.8003 10.8003 11.0872 11.0872 12.7663 12.7663 17.2489 17.2489 23.8107 23.8107 24.6981 24.6981 k = 0.1875 0.1083 0.3062 ( 652 PWs) bands (ev): -7.9247 -7.9247 5.1161 5.1161 6.7054 6.7054 6.9060 6.9060 10.2385 10.2385 10.5849 10.5849 10.7821 10.7821 11.0686 11.0686 12.7248 12.7248 17.1273 17.1273 23.9076 23.9076 24.8670 24.8670 k = 0.1828 0.1055 0.2985 ( 658 PWs) bands (ev): -7.9568 -7.9568 5.1857 5.1857 6.7388 6.7388 6.9612 6.9612 10.2224 10.2224 10.5686 10.5686 10.7627 10.7627 11.0492 11.0492 12.6799 12.6799 17.0056 17.0056 24.0078 24.0078 25.0381 25.0381 k = 0.1781 0.1028 0.2909 ( 658 PWs) bands (ev): -7.9890 -7.9890 5.2584 5.2584 6.7740 6.7740 7.0165 7.0165 10.2066 10.2066 10.5516 10.5516 10.7429 10.7429 11.0294 11.0294 12.6321 12.6321 16.8837 16.8837 24.1114 24.1114 25.2114 25.2114 k = 0.1734 0.1001 0.2832 ( 658 PWs) bands (ev): -8.0214 -8.0214 5.3342 5.3342 6.8107 6.8107 7.0719 7.0719 10.1909 10.1909 10.5339 10.5339 10.7224 10.7224 11.0092 11.0092 12.5814 12.5814 16.7618 16.7618 24.2183 24.2183 25.3869 25.3869 k = 0.1688 0.0974 0.2756 ( 662 PWs) bands (ev): -8.0537 -8.0537 5.4130 5.4130 6.8491 6.8491 7.1273 7.1273 10.1753 10.1753 10.5153 10.5153 10.7013 10.7013 10.9885 10.9885 12.5279 12.5279 16.6397 16.6397 24.3286 24.3286 25.5642 25.5642 k = 0.1641 0.0947 0.2679 ( 662 PWs) bands (ev): -8.0860 -8.0860 5.4947 5.4947 6.8890 6.8890 7.1827 7.1827 10.1599 10.1599 10.4961 10.4961 10.6796 10.6796 10.9675 10.9675 12.4719 12.4719 16.5176 16.5176 24.4423 24.4423 25.7435 25.7435 k = 0.1594 0.0920 0.2603 ( 662 PWs) bands (ev): -8.1181 -8.1181 5.5791 5.5791 6.9304 6.9304 7.2380 7.2380 10.1447 10.1447 10.4763 10.4763 10.6573 10.6573 10.9462 10.9462 12.4134 12.4134 16.3953 16.3953 24.5594 24.5594 25.9246 25.9246 k = 0.1547 0.0893 0.2526 ( 662 PWs) bands (ev): -8.1501 -8.1501 5.6662 5.6662 6.9734 6.9734 7.2932 7.2932 10.1298 10.1298 10.4560 10.4560 10.6345 10.6345 10.9247 10.9247 12.3525 12.3525 16.2730 16.2730 24.6798 24.6798 26.1072 26.1072 k = 0.1500 0.0866 0.2449 ( 662 PWs) bands (ev): -8.1818 -8.1818 5.7558 5.7558 7.0178 7.0178 7.3483 7.3483 10.1150 10.1150 10.4351 10.4351 10.6112 10.6112 10.9031 10.9031 12.2895 12.2895 16.1506 16.1506 24.8035 24.8035 26.2913 26.2913 k = 0.1453 0.0839 0.2373 ( 668 PWs) bands (ev): -8.2132 -8.2132 5.8477 5.8477 7.0636 7.0636 7.4031 7.4031 10.1005 10.1005 10.4133 10.4133 10.5871 10.5871 10.8812 10.8812 12.2243 12.2243 16.0283 16.0283 24.9305 24.9305 26.4765 26.4765 k = 0.1406 0.0812 0.2296 ( 668 PWs) bands (ev): -8.2443 -8.2443 5.9420 5.9420 7.1108 7.1108 7.4578 7.4578 10.0862 10.0862 10.3915 10.3915 10.5629 10.5629 10.8594 10.8594 12.1572 12.1572 15.9060 15.9060 25.0609 25.0609 26.6629 26.6629 k = 0.1359 0.0785 0.2220 ( 668 PWs) bands (ev): -8.2749 -8.2749 6.0384 6.0384 7.1595 7.1595 7.5121 7.5121 10.0722 10.0722 10.3692 10.3692 10.5382 10.5382 10.8375 10.8375 12.0883 12.0883 15.7838 15.7838 25.1945 25.1945 26.8502 26.8502 k = 0.1313 0.0758 0.2143 ( 668 PWs) bands (ev): -8.3050 -8.3050 6.1367 6.1367 7.2094 7.2094 7.5662 7.5662 10.0585 10.0585 10.3466 10.3466 10.5132 10.5132 10.8156 10.8156 12.0178 12.0178 15.6619 15.6619 25.3314 25.3314 27.0381 27.0381 k = 0.1266 0.0731 0.2067 ( 670 PWs) bands (ev): -8.3346 -8.3346 6.2369 6.2369 7.2607 7.2607 7.6198 7.6198 10.0451 10.0451 10.3236 10.3236 10.4878 10.4878 10.7935 10.7935 11.9458 11.9458 15.5403 15.5403 25.4715 25.4715 27.2264 27.2264 k = 0.1219 0.0704 0.1990 ( 664 PWs) bands (ev): -8.3635 -8.3635 6.3388 6.3388 7.3132 7.3132 7.6731 7.6731 10.0323 10.0323 10.3006 10.3006 10.4623 10.4623 10.7716 10.7716 11.8726 11.8726 15.4191 15.4191 25.6147 25.6147 27.4148 27.4148 k = 0.1172 0.0677 0.1914 ( 660 PWs) bands (ev): -8.3919 -8.3919 6.4423 6.4423 7.3669 7.3669 7.7258 7.7258 10.0195 10.0195 10.2772 10.2772 10.4365 10.4365 10.7499 10.7499 11.7981 11.7981 15.2985 15.2985 25.7611 25.7611 27.6031 27.6031 k = 0.1125 0.0650 0.1837 ( 660 PWs) bands (ev): -8.4195 -8.4195 6.5471 6.5471 7.4216 7.4216 7.7780 7.7780 10.0071 10.0071 10.2537 10.2537 10.4106 10.4106 10.7280 10.7280 11.7225 11.7225 15.1786 15.1786 25.9105 25.9105 27.7909 27.7909 k = 0.1078 0.0622 0.1761 ( 660 PWs) bands (ev): -8.4463 -8.4463 6.6530 6.6530 7.4775 7.4775 7.8295 7.8295 9.9949 9.9949 10.2301 10.2301 10.3845 10.3845 10.7060 10.7060 11.6461 11.6461 15.0596 15.0596 26.0628 26.0628 27.9778 27.9778 k = 0.1031 0.0595 0.1684 ( 660 PWs) bands (ev): -8.4724 -8.4724 6.7599 6.7599 7.5343 7.5343 7.8804 7.8804 9.9831 9.9831 10.2064 10.2064 10.3585 10.3585 10.6840 10.6840 11.5689 11.5689 14.9416 14.9416 26.2182 26.2182 28.1635 28.1635 k = 0.0984 0.0568 0.1607 ( 660 PWs) bands (ev): -8.4976 -8.4976 6.8676 6.8676 7.5919 7.5919 7.9305 7.9305 9.9716 9.9716 10.1827 10.1827 10.3324 10.3324 10.6619 10.6619 11.4912 11.4912 14.8250 14.8250 26.3763 26.3763 28.3476 28.3476 k = 0.0938 0.0541 0.1531 ( 660 PWs) bands (ev): -8.5220 -8.5220 6.9758 6.9758 7.6504 7.6504 7.9797 7.9797 9.9605 9.9605 10.1591 10.1591 10.3065 10.3065 10.6397 10.6397 11.4132 11.4132 14.7098 14.7098 26.5372 26.5372 28.5296 28.5296 k = 0.0891 0.0514 0.1454 ( 660 PWs) bands (ev): -8.5454 -8.5454 7.0843 7.0843 7.7096 7.7096 8.0281 8.0281 9.9496 9.9496 10.1356 10.1356 10.2808 10.2808 10.6175 10.6175 11.3350 11.3350 14.5965 14.5965 26.7007 26.7007 28.7091 28.7091 k = 0.0844 0.0487 0.1378 ( 668 PWs) bands (ev): -8.5678 -8.5678 7.1929 7.1929 7.7691 7.7691 8.0754 8.0754 9.9389 9.9389 10.1120 10.1120 10.2551 10.2551 10.5949 10.5949 11.2568 11.2568 14.4852 14.4852 26.8667 26.8667 28.8855 28.8855 k = 0.0797 0.0460 0.1301 ( 668 PWs) bands (ev): -8.5892 -8.5892 7.3012 7.3012 7.8292 7.8292 8.1217 8.1217 9.9288 9.9288 10.0888 10.0888 10.2300 10.2300 10.5723 10.5723 11.1789 11.1789 14.3763 14.3763 27.0350 27.0350 29.0582 29.0582 k = 0.0750 0.0433 0.1225 ( 668 PWs) bands (ev): -8.6096 -8.6096 7.4090 7.4090 7.8896 7.8896 8.1667 8.1667 9.9189 9.9189 10.0657 10.0657 10.2053 10.2053 10.5495 10.5495 11.1015 11.1015 14.2701 14.2701 27.2056 27.2056 29.2268 29.2268 k = 0.0703 0.0406 0.1148 ( 668 PWs) bands (ev): -8.6290 -8.6290 7.5159 7.5159 7.9500 7.9500 8.2104 8.2104 9.9094 9.9094 10.0429 10.0429 10.1811 10.1811 10.5266 10.5266 11.0249 11.0249 14.1670 14.1670 27.3781 27.3781 29.3904 29.3904 k = 0.0656 0.0379 0.1072 ( 668 PWs) bands (ev): -8.6472 -8.6472 7.6216 7.6216 8.0103 8.0103 8.2527 8.2527 9.9001 9.9001 10.0205 10.0205 10.1575 10.1575 10.5035 10.5035 10.9493 10.9493 14.0674 14.0674 27.5523 27.5523 29.5484 29.5484 k = 0.0609 0.0352 0.0995 ( 668 PWs) bands (ev): -8.6643 -8.6643 7.7255 7.7255 8.0702 8.0702 8.2934 8.2934 9.8910 9.8910 9.9984 9.9984 10.1345 10.1345 10.4803 10.4803 10.8751 10.8751 13.9717 13.9717 27.7281 27.7281 29.7002 29.7002 k = 0.0563 0.0325 0.0919 ( 664 PWs) bands (ev): -8.6802 -8.6802 7.8273 7.8273 8.1294 8.1294 8.3325 8.3325 9.8822 9.8822 9.9768 9.9768 10.1124 10.1124 10.4572 10.4572 10.8026 10.8026 13.8804 13.8804 27.9049 27.9049 29.8449 29.8449 k = 0.0516 0.0298 0.0842 ( 664 PWs) bands (ev): -8.6950 -8.6950 7.9263 7.9263 8.1875 8.1875 8.3696 8.3696 9.8736 9.8736 9.9556 9.9556 10.0910 10.0910 10.4343 10.4343 10.7322 10.7322 13.7939 13.7939 28.0825 28.0825 29.9816 29.9816 k = 0.0469 0.0271 0.0765 ( 664 PWs) bands (ev): -8.7085 -8.7085 8.0219 8.0219 8.2441 8.2441 8.4046 8.4046 9.8650 9.8650 9.9351 9.9351 10.0705 10.0705 10.4116 10.4116 10.6644 10.6644 13.7127 13.7127 28.2602 28.2602 30.1098 30.1098 k = 0.0422 0.0244 0.0689 ( 665 PWs) bands (ev): -8.7208 -8.7208 8.1134 8.1134 8.2989 8.2989 8.4374 8.4374 9.8564 9.8564 9.9153 9.9153 10.0510 10.0510 10.3896 10.3896 10.5998 10.5998 13.6373 13.6373 28.4375 28.4375 30.2285 30.2285 k = 0.0375 0.0217 0.0612 ( 663 PWs) bands (ev): -8.7319 -8.7319 8.2000 8.2000 8.3511 8.3511 8.4678 8.4678 9.8478 9.8478 9.8964 9.8964 10.0328 10.0328 10.3684 10.3684 10.5388 10.5388 13.5682 13.5682 28.6135 28.6135 30.3370 30.3370 k = 0.0328 0.0189 0.0536 ( 655 PWs) bands (ev): -8.7417 -8.7417 8.2805 8.2805 8.4003 8.4003 8.4957 8.4957 9.8396 9.8396 9.8784 9.8784 10.0162 10.0162 10.3487 10.3487 10.4825 10.4825 13.5059 13.5059 28.7870 28.7870 30.4345 30.4345 k = 0.0281 0.0162 0.0459 ( 655 PWs) bands (ev): -8.7502 -8.7502 8.3537 8.3537 8.4457 8.4457 8.5208 8.5208 9.8314 9.8314 9.8614 9.8614 10.0011 10.0011 10.3304 10.3304 10.4311 10.4311 13.4508 13.4508 28.9564 28.9564 30.5203 30.5203 k = 0.0234 0.0135 0.0383 ( 651 PWs) bands (ev): -8.7574 -8.7574 8.4180 8.4180 8.4868 8.4868 8.5433 8.5433 9.8236 9.8236 9.8456 9.8456 9.9880 9.9880 10.3141 10.3141 10.3858 10.3858 13.4033 13.4033 29.1195 29.1195 30.5937 30.5937 k = 0.0187 0.0108 0.0306 ( 649 PWs) bands (ev): -8.7634 -8.7634 8.4714 8.4714 8.5232 8.5232 8.5629 8.5629 9.8166 9.8166 9.8315 9.8315 9.9770 9.9770 10.3003 10.3003 10.3471 10.3471 13.3639 13.3639 29.2727 29.2727 30.6541 30.6541 k = 0.0141 0.0081 0.0230 ( 645 PWs) bands (ev): -8.7680 -8.7680 8.5114 8.5114 8.5550 8.5550 8.5796 8.5796 9.8106 9.8106 9.8195 9.8195 9.9684 9.9684 10.2892 10.2892 10.3160 10.3160 13.3329 13.3329 29.4106 29.4106 30.7004 30.7004 k = 0.0094 0.0054 0.0153 ( 645 PWs) bands (ev): -8.7713 -8.7713 8.5373 8.5373 8.5812 8.5812 8.5929 8.5929 9.8060 9.8060 9.8101 9.8101 9.9621 9.9621 10.2811 10.2811 10.2931 10.2931 13.3106 13.3106 29.5245 29.5245 30.7315 30.7315 k = 0.0047 0.0027 0.0077 ( 645 PWs) bands (ev): -8.7733 -8.7733 8.5512 8.5512 8.5986 8.5986 8.6016 8.6016 9.8031 9.8031 9.8041 9.8041 9.9583 9.9583 10.2761 10.2761 10.2791 10.2791 13.2971 13.2971 29.6022 29.6022 30.7467 30.7467 k = 0.0000 0.0000 0.0000 ( 645 PWs) bands (ev): -8.7739 -8.7739 8.5555 8.5555 8.6047 8.6047 8.6047 8.6047 9.8021 9.8021 9.8021 9.8021 9.9571 9.9571 10.2744 10.2744 10.2744 10.2744 13.2926 13.2926 29.6303 29.6303 30.7504 30.7504 k = 0.0000 0.0000 0.0000 ( 645 PWs) bands (ev): -8.7739 -8.7739 8.5555 8.5555 8.6047 8.6047 8.6047 8.6047 9.8021 9.8021 9.8021 9.8021 9.9571 9.9571 10.2744 10.2744 10.2744 10.2744 13.2926 13.2926 29.6303 29.6303 30.7504 30.7504 k = 0.0076 0.0044 0.0031 ( 645 PWs) bands (ev): -8.7733 -8.7733 8.5513 8.5513 8.5993 8.5993 8.6010 8.6010 9.8036 9.8036 9.8036 9.8036 9.9583 9.9583 10.2773 10.2773 10.2778 10.2778 13.2970 13.2970 29.6028 29.6028 30.7489 30.7489 k = 0.0152 0.0087 0.0062 ( 645 PWs) bands (ev): -8.7713 -8.7713 8.5384 8.5384 8.5838 8.5838 8.5901 8.5901 9.8079 9.8079 9.8080 9.8080 9.9620 9.9620 10.2860 10.2860 10.2878 10.2878 13.3102 13.3102 29.5259 29.5259 30.7444 30.7444 k = 0.0227 0.0131 0.0093 ( 645 PWs) bands (ev): -8.7681 -8.7681 8.5156 8.5156 8.5601 8.5601 8.5723 8.5723 9.8147 9.8147 9.8149 9.8149 9.9680 9.9680 10.3003 10.3003 10.3043 10.3043 13.3320 13.3320 29.4120 29.4120 30.7367 30.7367 k = 0.0303 0.0175 0.0124 ( 646 PWs) bands (ev): -8.7636 -8.7636 8.4811 8.4811 8.5312 8.5312 8.5482 8.5482 9.8237 9.8237 9.8237 9.8237 9.9762 9.9762 10.3203 10.3203 10.3270 10.3270 13.3623 13.3623 29.2725 29.2725 30.7257 30.7257 k = 0.0379 0.0219 0.0155 ( 652 PWs) bands (ev): -8.7578 -8.7578 8.4345 8.4345 8.4990 8.4990 8.5183 8.5183 9.8337 9.8337 9.8342 9.8342 9.9863 9.9863 10.3455 10.3455 10.3554 10.3554 13.4006 13.4006 29.1158 29.1158 30.7110 30.7110 k = 0.0455 0.0262 0.0186 ( 658 PWs) bands (ev): -8.7507 -8.7507 8.3770 8.3770 8.4637 8.4637 8.4834 8.4834 9.8447 9.8447 9.8457 9.8457 9.9982 9.9982 10.3760 10.3760 10.3892 10.3892 13.4467 13.4467 28.9472 28.9472 30.6925 30.6925 k = 0.0530 0.0306 0.0216 ( 658 PWs) bands (ev): -8.7423 -8.7423 8.3104 8.3104 8.4253 8.4253 8.4442 8.4442 9.8565 9.8565 9.8582 9.8582 10.0118 10.0118 10.4115 10.4115 10.4278 10.4278 13.5000 13.5000 28.7703 28.7703 30.6696 30.6696 k = 0.0606 0.0350 0.0247 ( 658 PWs) bands (ev): -8.7327 -8.7327 8.2361 8.2361 8.3839 8.3839 8.4013 8.4013 9.8685 9.8685 9.8712 9.8712 10.0267 10.0267 10.4515 10.4515 10.4707 10.4707 13.5601 13.5601 28.5874 28.5874 30.6420 30.6420 k = 0.0682 0.0394 0.0278 ( 661 PWs) bands (ev): -8.7218 -8.7218 8.1551 8.1551 8.3396 8.3396 8.3553 8.3553 9.8806 9.8806 9.8845 9.8845 10.0425 10.0425 10.4955 10.4955 10.5174 10.5174 13.6265 13.6265 28.4002 28.4002 30.6093 30.6096 k = 0.0758 0.0437 0.0309 ( 661 PWs) bands (ev): -8.7098 -8.7098 8.0686 8.0686 8.2929 8.2929 8.3068 8.3068 9.8929 9.8929 9.8980 9.8980 10.0591 10.0591 10.5432 10.5432 10.5674 10.5674 13.6987 13.6987 28.2099 28.2099 30.5637 30.5637 k = 0.0833 0.0481 0.0340 ( 661 PWs) bands (ev): -8.6965 -8.6965 7.9771 7.9771 8.2441 8.2441 8.2562 8.2562 9.9053 9.9053 9.9117 9.9117 10.0763 10.0763 10.5939 10.5939 10.6202 10.6202 13.7762 13.7762 28.0175 28.0175 30.5111 30.5111 k = 0.0909 0.0525 0.0371 ( 658 PWs) bands (ev): -8.6820 -8.6820 7.8814 7.8814 8.1937 8.1937 8.2040 8.2040 9.9181 9.9181 9.9255 9.9255 10.0940 10.0940 10.6475 10.6475 10.6754 10.6754 13.8584 13.8584 27.8236 27.8236 30.4515 30.4515 k = 0.0985 0.0569 0.0402 ( 661 PWs) bands (ev): -8.6663 -8.6663 7.7821 7.7821 8.1418 8.1418 8.1505 8.1505 9.9308 9.9308 9.9394 9.9394 10.1117 10.1117 10.7033 10.7033 10.7326 10.7326 13.9448 13.9448 27.6288 27.6288 30.3849 30.3849 k = 0.1061 0.0612 0.0433 ( 661 PWs) bands (ev): -8.6495 -8.6495 7.6796 7.6796 8.0888 8.0888 8.0960 8.0960 9.9440 9.9440 9.9537 9.9537 10.1296 10.1296 10.7610 10.7610 10.7916 10.7916 14.0351 14.0351 27.4336 27.4336 30.3112 30.3112 k = 0.1136 0.0656 0.0464 ( 661 PWs) bands (ev): -8.6316 -8.6316 7.5745 7.5745 8.0350 8.0350 8.0407 8.0407 9.9575 9.9575 9.9682 9.9682 10.1477 10.1477 10.8204 10.8204 10.8519 10.8519 14.1286 14.1286 27.2385 27.2385 30.2305 30.2305 k = 0.1212 0.0700 0.0495 ( 661 PWs) bands (ev): -8.6126 -8.6126 7.4670 7.4670 7.9805 7.9805 7.9849 7.9849 9.9714 9.9714 9.9830 9.9830 10.1658 10.1658 10.8811 10.8811 10.9134 10.9134 14.2251 14.2251 27.0437 27.0437 30.1432 30.1432 k = 0.1288 0.0744 0.0526 ( 661 PWs) bands (ev): -8.5925 -8.5925 7.3577 7.3577 7.9257 7.9257 7.9289 7.9289 9.9856 9.9856 9.9981 9.9981 10.1841 10.1841 10.9429 10.9429 10.9759 10.9759 14.3240 14.3240 26.8496 26.8496 30.0497 30.0497 k = 0.1364 0.0787 0.0557 ( 655 PWs) bands (ev): -8.5713 -8.5713 7.2467 7.2467 7.8707 7.8707 7.8727 7.8727 10.0005 10.0005 10.0137 10.0137 10.2024 10.2024 11.0056 11.0056 11.0391 11.0391 14.4251 14.4251 26.6564 26.6564 29.9503 29.9503 k = 0.1439 0.0831 0.0588 ( 655 PWs) bands (ev): -8.5492 -8.5492 7.1345 7.1345 7.8155 7.8155 7.8165 7.8165 10.0156 10.0156 10.0295 10.0295 10.2209 10.2209 11.0689 11.0689 11.1028 11.1028 14.5278 14.5278 26.4645 26.4645 29.8457 29.8457 k = 0.1515 0.0875 0.0619 ( 655 PWs) bands (ev): -8.5261 -8.5261 7.0213 7.0213 7.7604 7.7604 7.7604 7.7604 10.0312 10.0312 10.0457 10.0457 10.2395 10.2395 11.1326 11.1326 11.1669 11.1669 14.6320 14.6320 26.2741 26.2741 29.7364 29.7364 k = 0.1591 0.0919 0.0649 ( 661 PWs) bands (ev): -8.5020 -8.5020 6.9073 6.9073 7.7045 7.7045 7.7054 7.7054 10.0471 10.0471 10.0620 10.0620 10.2582 10.2582 11.1966 11.1966 11.2311 11.2311 14.7372 14.7372 26.0853 26.0853 29.6231 29.6231 k = 0.1667 0.0962 0.0680 ( 661 PWs) bands (ev): -8.4771 -8.4771 6.7927 6.7927 7.6491 7.6491 7.6507 7.6507 10.0635 10.0635 10.0789 10.0789 10.2772 10.2772 11.2608 11.2608 11.2956 11.2956 14.8431 14.8431 25.8984 25.8984 29.5063 29.5063 k = 0.1742 0.1006 0.0711 ( 661 PWs) bands (ev): -8.4513 -8.4513 6.6779 6.6779 7.5941 7.5941 7.5965 7.5965 10.0803 10.0803 10.0960 10.0960 10.2964 10.2964 11.3250 11.3250 11.3600 11.3600 14.9495 14.9495 25.7136 25.7136 29.3867 29.3867 k = 0.1818 0.1050 0.0742 ( 661 PWs) bands (ev): -8.4247 -8.4247 6.5630 6.5630 7.5396 7.5396 7.5427 7.5427 10.0975 10.0975 10.1135 10.1135 10.3159 10.3159 11.3892 11.3892 11.4242 11.4242 15.0560 15.0560 25.5311 25.5311 29.2649 29.2649 k = 0.1894 0.1093 0.0773 ( 661 PWs) bands (ev): -8.3973 -8.3973 6.4482 6.4482 7.4858 7.4858 7.4895 7.4895 10.1151 10.1151 10.1313 10.1313 10.3357 10.3357 11.4531 11.4531 11.4883 11.4883 15.1624 15.1624 25.3511 25.3511 29.1412 29.1412 k = 0.1970 0.1137 0.0804 ( 661 PWs) bands (ev): -8.3692 -8.3692 6.3336 6.3336 7.4326 7.4326 7.4369 7.4369 10.1331 10.1331 10.1493 10.1493 10.3557 10.3557 11.5168 11.5168 11.5520 11.5520 15.2685 15.2685 25.1738 25.1738 29.0163 29.0163 k = 0.2045 0.1181 0.0835 ( 661 PWs) bands (ev): -8.3404 -8.3404 6.2195 6.2195 7.3802 7.3802 7.3850 7.3850 10.1513 10.1513 10.1676 10.1676 10.3761 10.3761 11.5801 11.5801 11.6153 11.6153 15.3739 15.3739 24.9993 24.9993 28.8906 28.8906 k = 0.2121 0.1225 0.0866 ( 661 PWs) bands (ev): -8.3111 -8.3111 6.1060 6.1060 7.3286 7.3286 7.3339 7.3339 10.1699 10.1699 10.1862 10.1862 10.3968 10.3968 11.6429 11.6429 11.6781 11.6781 15.4784 15.4784 24.8279 24.8279 28.7644 28.7644 k = 0.2197 0.1268 0.0897 ( 658 PWs) bands (ev): -8.2811 -8.2811 5.9933 5.9933 7.2779 7.2779 7.2837 7.2837 10.1888 10.1888 10.2049 10.2049 10.4181 10.4181 11.7051 11.7051 11.7403 11.7403 15.5819 15.5819 24.6597 24.6597 28.6383 28.6383 k = 0.2273 0.1312 0.0928 ( 658 PWs) bands (ev): -8.2506 -8.2506 5.8814 5.8814 7.2281 7.2281 7.2343 7.2343 10.2079 10.2079 10.2238 10.2238 10.4395 10.4395 11.7667 11.7667 11.8018 11.8018 15.6840 15.6840 24.4949 24.4949 28.5125 28.5125 k = 0.2348 0.1356 0.0959 ( 658 PWs) bands (ev): -8.2197 -8.2197 5.7707 5.7707 7.1792 7.1792 7.1858 7.1858 10.2272 10.2272 10.2428 10.2428 10.4611 10.4611 11.8276 11.8276 11.8626 11.8626 15.7845 15.7845 24.3336 24.3336 28.3874 28.3874 k = 0.2424 0.1400 0.0990 ( 658 PWs) bands (ev): -8.1884 -8.1884 5.6611 5.6611 7.1313 7.1313 7.1383 7.1383 10.2466 10.2466 10.2620 10.2620 10.4831 10.4831 11.8877 11.8877 11.9226 11.9226 15.8831 15.8831 24.1761 24.1761 28.2632 28.2632 k = 0.2500 0.1443 0.1021 ( 655 PWs) bands (ev): -8.1568 -8.1568 5.5529 5.5529 7.0845 7.0845 7.0919 7.0919 10.2662 10.2662 10.2812 10.2812 10.5054 10.5054 11.9470 11.9470 11.9818 11.9818 15.9798 15.9798 24.0226 24.0226 28.1402 28.1402 k = 0.2576 0.1487 0.1052 ( 661 PWs) bands (ev): -8.1249 -8.1249 5.4462 5.4462 7.0387 7.0387 7.0464 7.0464 10.2857 10.2857 10.3002 10.3002 10.5279 10.5279 12.0051 12.0051 12.0399 12.0399 16.0741 16.0741 23.8732 23.8732 28.0187 28.0187 k = 0.2652 0.1531 0.1082 ( 661 PWs) bands (ev): -8.0928 -8.0928 5.3411 5.3411 6.9941 6.9941 7.0020 7.0020 10.3054 10.3054 10.3194 10.3194 10.5507 10.5507 12.0625 12.0625 12.0971 12.0971 16.1661 16.1661 23.7280 23.7280 27.8989 27.8989 k = 0.2727 0.1575 0.1113 ( 658 PWs) bands (ev): -8.0606 -8.0606 5.2377 5.2377 6.9506 6.9506 6.9588 6.9588 10.3252 10.3252 10.3386 10.3386 10.5739 10.5739 12.1188 12.1188 12.1533 12.1533 16.2553 16.2553 23.5875 23.5875 27.7811 27.7811 k = 0.2803 0.1618 0.1144 ( 658 PWs) bands (ev): -8.0283 -8.0283 5.1362 5.1362 6.9082 6.9082 6.9167 6.9167 10.3448 10.3448 10.3576 10.3576 10.5972 10.5972 12.1739 12.1739 12.2083 12.2083 16.3417 16.3417 23.4515 23.4515 27.6653 27.6653 k = 0.2879 0.1662 0.1175 ( 658 PWs) bands (ev): -7.9961 -7.9961 5.0366 5.0366 6.8671 6.8671 6.8758 6.8758 10.3644 10.3644 10.3765 10.3765 10.6207 10.6207 12.2279 12.2279 12.2621 12.2621 16.4249 16.4249 23.3203 23.3203 27.5518 27.5518 k = 0.2955 0.1706 0.1206 ( 652 PWs) bands (ev): -7.9639 -7.9639 4.9392 4.9392 6.8273 6.8273 6.8362 6.8362 10.3839 10.3839 10.3953 10.3953 10.6444 10.6444 12.2808 12.2808 12.3148 12.3148 16.5049 16.5049 23.1942 23.1942 27.4408 27.4408 k = 0.3030 0.1750 0.1237 ( 652 PWs) bands (ev): -7.9319 -7.9319 4.8440 4.8440 6.7886 6.7886 6.7977 6.7977 10.4032 10.4032 10.4139 10.4139 10.6682 10.6682 12.3322 12.3322 12.3661 12.3661 16.5815 16.5815 23.0731 23.0731 27.3325 27.3325 k = 0.3106 0.1793 0.1268 ( 658 PWs) bands (ev): -7.9002 -7.9002 4.7511 4.7511 6.7512 6.7512 6.7605 6.7605 10.4221 10.4221 10.4320 10.4320 10.6914 10.6914 12.3823 12.3823 12.4160 12.4160 16.6543 16.6543 22.9574 22.9574 27.2269 27.2269 k = 0.3182 0.1837 0.1299 ( 658 PWs) bands (ev): -7.8688 -7.8688 4.6608 4.6608 6.7151 6.7151 6.7246 6.7246 10.4408 10.4408 10.4500 10.4500 10.7152 10.7152 12.4310 12.4310 12.4645 12.4645 16.7234 16.7234 22.8470 22.8470 27.1243 27.1243 k = 0.3258 0.1881 0.1330 ( 658 PWs) bands (ev): -7.8378 -7.8378 4.5730 4.5730 6.6803 6.6803 6.6900 6.6900 10.4592 10.4592 10.4675 10.4675 10.7389 10.7389 12.4783 12.4783 12.5116 12.5116 16.7887 16.7887 22.7421 22.7421 27.0248 27.0248 k = 0.3333 0.1925 0.1361 ( 658 PWs) bands (ev): -7.8073 -7.8073 4.4879 4.4879 6.6468 6.6468 6.6567 6.6567 10.4772 10.4772 10.4848 10.4848 10.7624 10.7624 12.5240 12.5240 12.5572 12.5572 16.8500 16.8500 22.6428 22.6428 26.9284 26.9284 k = 0.3409 0.1968 0.1392 ( 658 PWs) bands (ev): -7.7774 -7.7774 4.4056 4.4056 6.6148 6.6148 6.6248 6.6248 10.4948 10.4948 10.5015 10.5015 10.7858 10.7858 12.5681 12.5681 12.6011 12.6011 16.9072 16.9072 22.5492 22.5492 26.8355 26.8355 k = 0.3485 0.2012 0.1423 ( 658 PWs) bands (ev): -7.7482 -7.7482 4.3263 4.3263 6.5841 6.5841 6.5942 6.5942 10.5120 10.5120 10.5178 10.5178 10.8090 10.8090 12.6107 12.6107 12.6435 12.6435 16.9604 16.9604 22.4614 22.4614 26.7459 26.7459 k = 0.3561 0.2056 0.1454 ( 658 PWs) bands (ev): -7.7197 -7.7197 4.2500 4.2500 6.5548 6.5548 6.5651 6.5651 10.5286 10.5286 10.5336 10.5336 10.8318 10.8318 12.6515 12.6515 12.6842 12.6842 17.0093 17.0093 22.3792 22.3792 26.6600 26.6600 k = 0.3636 0.2099 0.1485 ( 658 PWs) bands (ev): -7.6920 -7.6920 4.1768 4.1768 6.5269 6.5269 6.5373 6.5373 10.5446 10.5446 10.5489 10.5489 10.8541 10.8541 12.6907 12.6907 12.7231 12.7231 17.0542 17.0542 22.3028 22.3028 26.5777 26.5777 k = 0.3712 0.2143 0.1515 ( 664 PWs) bands (ev): -7.6653 -7.6653 4.1069 4.1069 6.5004 6.5004 6.5109 6.5109 10.5600 10.5600 10.5635 10.5635 10.8759 10.8759 12.7279 12.7279 12.7602 12.7602 17.0949 17.0949 22.2319 22.2319 26.4993 26.4993 k = 0.3788 0.2187 0.1546 ( 664 PWs) bands (ev): -7.6395 -7.6395 4.0403 4.0403 6.4754 6.4754 6.4860 6.4860 10.5748 10.5748 10.5775 10.5775 10.8972 10.8972 12.7634 12.7634 12.7955 12.7955 17.1317 17.1317 22.1667 22.1667 26.4247 26.4247 k = 0.3864 0.2231 0.1577 ( 664 PWs) bands (ev): -7.6149 -7.6149 3.9773 3.9773 6.4518 6.4518 6.4625 6.4625 10.5889 10.5889 10.5909 10.5909 10.9178 10.9178 12.7970 12.7970 12.8290 12.8290 17.1646 17.1646 22.1070 22.1070 26.3542 26.3542 k = 0.3939 0.2274 0.1608 ( 664 PWs) bands (ev): -7.5913 -7.5913 3.9177 3.9177 6.4297 6.4297 6.4405 6.4405 10.6023 10.6023 10.6036 10.6036 10.9377 10.9377 12.8287 12.8287 12.8606 12.8606 17.1939 17.1939 22.0526 22.0526 26.2877 26.2877 k = 0.4015 0.2318 0.1639 ( 664 PWs) bands (ev): -7.5691 -7.5691 3.8619 3.8619 6.4091 6.4091 6.4200 6.4200 10.6150 10.6150 10.6156 10.6156 10.9567 10.9567 12.8585 12.8585 12.8902 12.8902 17.2195 17.2195 22.0033 22.0033 26.2255 26.2255 k = 0.4091 0.2362 0.1670 ( 664 PWs) bands (ev): -7.5481 -7.5481 3.8097 3.8097 6.3899 6.3899 6.4009 6.4009 10.6268 10.6268 10.6268 10.6268 10.9747 10.9747 12.8862 12.8862 12.9177 12.9177 17.2419 17.2419 21.9590 21.9590 26.1675 26.1675 k = 0.4167 0.2406 0.1701 ( 664 PWs) bands (ev): -7.5285 -7.5285 3.7614 3.7614 6.3723 6.3723 6.3834 6.3834 10.6372 10.6372 10.6378 10.6378 10.9917 10.9917 12.9119 12.9119 12.9433 12.9433 17.2612 17.2612 21.9195 21.9195 26.1138 26.1138 k = 0.4242 0.2449 0.1732 ( 664 PWs) bands (ev): -7.5104 -7.5104 3.7170 3.7170 6.3562 6.3562 6.3673 6.3673 10.6468 10.6468 10.6480 10.6480 11.0076 11.0076 12.9355 12.9355 12.9667 12.9667 17.2776 17.2776 21.8845 21.8845 26.0645 26.0645 k = 0.4318 0.2493 0.1763 ( 667 PWs) bands (ev): -7.4938 -7.4938 3.6766 3.6766 6.3414 6.3414 6.3526 6.3526 10.6556 10.6556 10.6573 10.6573 11.0223 11.0223 12.9569 12.9569 12.9880 12.9880 17.2914 17.2914 21.8537 21.8537 26.0198 26.0198 k = 0.4394 0.2537 0.1794 ( 667 PWs) bands (ev): -7.4787 -7.4787 3.6403 3.6403 6.3283 6.3283 6.3396 6.3396 10.6635 10.6635 10.6657 10.6657 11.0357 11.0357 12.9761 12.9761 13.0072 13.0072 17.3029 17.3029 21.8270 21.8270 25.9795 25.9795 k = 0.4470 0.2581 0.1825 ( 667 PWs) bands (ev): -7.4653 -7.4653 3.6081 3.6081 6.3168 6.3168 6.3280 6.3280 10.6705 10.6705 10.6731 10.6731 11.0477 11.0477 12.9932 12.9932 13.0242 13.0242 17.3124 17.3124 21.8041 21.8041 25.9439 25.9439 k = 0.4545 0.2624 0.1856 ( 670 PWs) bands (ev): -7.4536 -7.4536 3.5800 3.5800 6.3067 6.3067 6.3180 6.3180 10.6767 10.6767 10.6796 10.6796 11.0581 11.0581 13.0081 13.0081 13.0390 13.0390 17.3200 17.3200 21.7847 21.7847 25.9129 25.9129 k = 0.4621 0.2668 0.1887 ( 658 PWs) bands (ev): -7.4436 -7.4436 3.5561 3.5561 6.2985 6.2985 6.3098 6.3098 10.6823 10.6823 10.6855 10.6855 11.0672 11.0672 13.0209 13.0209 13.0517 13.0517 17.3261 17.3261 21.7687 21.7687 25.8866 25.8866 k = 0.4697 0.2712 0.1918 ( 652 PWs) bands (ev): -7.4354 -7.4354 3.5366 3.5366 6.2915 6.2915 6.3029 6.3029 10.6868 10.6868 10.6902 10.6902 11.0747 11.0747 13.0314 13.0314 13.0621 13.0621 17.3307 17.3307 21.7560 21.7560 25.8651 25.8651 k = 0.4773 0.2756 0.1948 ( 652 PWs) bands (ev): -7.4289 -7.4289 3.5213 3.5213 6.2861 6.2861 6.2975 6.2975 10.6902 10.6902 10.6938 10.6938 11.0805 11.0805 13.0394 13.0394 13.0702 13.0702 17.3341 17.3341 21.7462 21.7462 25.8483 25.8483 k = 0.4848 0.2799 0.1979 ( 652 PWs) bands (ev): -7.4243 -7.4243 3.5104 3.5104 6.2822 6.2822 6.2936 6.2936 10.6926 10.6926 10.6963 10.6963 11.0848 11.0848 13.0452 13.0452 13.0759 13.0759 17.3365 17.3365 21.7393 21.7393 25.8363 25.8363 k = 0.4924 0.2843 0.2010 ( 652 PWs) bands (ev): -7.4215 -7.4215 3.5039 3.5039 6.2799 6.2799 6.2913 6.2913 10.6940 10.6940 10.6979 10.6979 11.0873 11.0873 13.0487 13.0487 13.0794 13.0794 17.3379 17.3379 21.7352 21.7352 25.8290 25.8290 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -7.4206 -7.4206 3.5017 3.5017 6.2791 6.2791 6.2905 6.2905 10.6945 10.6945 10.6984 10.6984 11.0882 11.0882 13.0499 13.0499 13.0805 13.0805 17.3383 17.3383 21.7338 21.7338 25.8266 25.8266 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -7.4206 -7.4206 3.5017 3.5017 6.2791 6.2791 6.2905 6.2905 10.6945 10.6945 10.6984 10.6984 11.0882 11.0882 13.0499 13.0499 13.0805 13.0805 17.3383 17.3383 21.7338 21.7338 25.8266 25.8266 k = 0.5027 0.2810 0.2085 ( 652 PWs) bands (ev): -7.4205 -7.4205 3.5028 3.5028 6.2789 6.2789 6.2903 6.2903 10.6943 10.6943 10.6982 10.6982 11.0879 11.0879 13.0481 13.0481 13.0789 13.0789 17.3427 17.3427 21.7329 21.7329 25.8241 25.8241 k = 0.5053 0.2733 0.2128 ( 652 PWs) bands (ev): -7.4200 -7.4200 3.5059 3.5059 6.2782 6.2782 6.2900 6.2900 10.6935 10.6935 10.6977 10.6977 11.0873 11.0873 13.0425 13.0425 13.0742 13.0742 17.3557 17.3557 21.7302 21.7302 25.8154 25.8154 k = 0.5080 0.2656 0.2172 ( 654 PWs) bands (ev): -7.4193 -7.4193 3.5113 3.5113 6.2763 6.2763 6.2899 6.2899 10.6918 10.6918 10.6973 10.6973 11.0861 11.0861 13.0322 13.0322 13.0675 13.0675 17.3772 17.3772 21.7257 21.7257 25.7973 25.7973 k = 0.5106 0.2580 0.2215 ( 662 PWs) bands (ev): -7.4183 -7.4183 3.5187 3.5187 6.2730 6.2730 6.2903 6.2903 10.6888 10.6888 10.6970 10.6970 11.0845 11.0845 13.0166 13.0166 13.0596 13.0596 17.4071 17.4071 21.7194 21.7194 25.7665 25.7665 k = 0.5133 0.2503 0.2258 ( 668 PWs) bands (ev): -7.4170 -7.4170 3.5282 3.5282 6.2683 6.2683 6.2915 6.2915 10.6850 10.6850 10.6967 10.6967 11.0826 11.0826 12.9955 12.9955 13.0508 13.0508 17.4450 17.4450 21.7113 21.7113 25.7213 25.7213 k = 0.5160 0.2426 0.2302 ( 668 PWs) bands (ev): -7.4155 -7.4155 3.5399 3.5399 6.2622 6.2622 6.2934 6.2934 10.6805 10.6805 10.6968 10.6968 11.0802 11.0802 12.9694 12.9694 13.0411 13.0411 17.4908 17.4908 21.7014 21.7014 25.6624 25.6624 k = 0.5186 0.2349 0.2345 ( 668 PWs) bands (ev): -7.4136 -7.4136 3.5536 3.5536 6.2547 6.2547 6.2959 6.2959 10.6751 10.6751 10.6970 10.6970 11.0775 11.0775 12.9389 12.9389 13.0304 13.0304 17.5439 17.5439 21.6898 21.6898 25.5917 25.5917 k = 0.5213 0.2273 0.2389 ( 664 PWs) bands (ev): -7.4115 -7.4115 3.5694 3.5694 6.2461 6.2461 6.2990 6.2990 10.6690 10.6690 10.6974 10.6974 11.0746 11.0746 12.9043 12.9043 13.0186 13.0186 17.6041 17.6041 21.6764 21.6764 25.5110 25.5110 k = 0.5239 0.2196 0.2432 ( 663 PWs) bands (ev): -7.4091 -7.4091 3.5873 3.5873 6.2362 6.2362 6.3025 6.3025 10.6620 10.6620 10.6978 10.6978 11.0712 11.0712 12.8661 12.8661 13.0054 13.0054 17.6709 17.6709 21.6613 21.6613 25.4218 25.4218 k = 0.5266 0.2119 0.2476 ( 667 PWs) bands (ev): -7.4065 -7.4065 3.6072 3.6072 6.2250 6.2250 6.3063 6.3063 10.6542 10.6542 10.6980 10.6980 11.0675 11.0675 12.8246 12.8246 12.9908 12.9908 17.7439 17.7439 21.6444 21.6444 25.3256 25.3256 k = 0.5293 0.2042 0.2519 ( 667 PWs) bands (ev): -7.4036 -7.4036 3.6291 3.6291 6.2127 6.2127 6.3107 6.3107 10.6457 10.6457 10.6985 10.6985 11.0637 11.0637 12.7804 12.7804 12.9750 12.9750 17.8226 17.8226 21.6258 21.6258 25.2236 25.2236 k = 0.5319 0.1965 0.2562 ( 667 PWs) bands (ev): -7.4005 -7.4005 3.6530 3.6530 6.1991 6.1991 6.3155 6.3155 10.6366 10.6366 10.6990 10.6990 11.0596 11.0596 12.7338 12.7338 12.9579 12.9579 17.9066 17.9066 21.6055 21.6055 25.1169 25.1169 k = 0.5346 0.1889 0.2606 ( 670 PWs) bands (ev): -7.3972 -7.3972 3.6788 3.6788 6.1843 6.1843 6.3207 6.3207 10.6267 10.6267 10.6996 10.6996 11.0552 11.0552 12.6850 12.6850 12.9395 12.9395 17.9956 17.9956 21.5836 21.5836 25.0065 25.0065 k = 0.5372 0.1812 0.2649 ( 670 PWs) bands (ev): -7.3937 -7.3937 3.7066 3.7066 6.1685 6.1685 6.3263 6.3263 10.6161 10.6161 10.7004 10.7004 11.0509 11.0509 12.6346 12.6346 12.9199 12.9199 18.0890 18.0890 21.5600 21.5600 24.8933 24.8933 k = 0.5399 0.1735 0.2693 ( 672 PWs) bands (ev): -7.3899 -7.3899 3.7362 3.7362 6.1514 6.1514 6.3323 6.3323 10.6048 10.6048 10.7012 10.7012 11.0464 11.0464 12.5827 12.5827 12.8991 12.8991 18.1865 18.1865 21.5348 21.5348 24.7781 24.7781 k = 0.5426 0.1658 0.2736 ( 673 PWs) bands (ev): -7.3860 -7.3860 3.7678 3.7678 6.1332 6.1332 6.3386 6.3386 10.5930 10.5930 10.7020 10.7020 11.0419 11.0419 12.5298 12.5298 12.8770 12.8770 18.2877 18.2877 21.5081 21.5081 24.6616 24.6616 k = 0.5452 0.1582 0.2780 ( 671 PWs) bands (ev): -7.3819 -7.3819 3.8011 3.8011 6.1140 6.1140 6.3455 6.3455 10.5806 10.5806 10.7031 10.7031 11.0374 11.0374 12.4760 12.4760 12.8540 12.8540 18.3922 18.3922 21.4798 21.4798 24.5445 24.5445 k = 0.5479 0.1505 0.2823 ( 671 PWs) bands (ev): -7.3776 -7.3776 3.8362 3.8362 6.0936 6.0936 6.3526 6.3526 10.5675 10.5675 10.7042 10.7042 11.0330 11.0330 12.4217 12.4217 12.8298 12.8298 18.4996 18.4996 21.4500 21.4500 24.4273 24.4273 k = 0.5505 0.1428 0.2866 ( 671 PWs) bands (ev): -7.3732 -7.3732 3.8731 3.8731 6.0722 6.0722 6.3601 6.3601 10.5538 10.5538 10.7055 10.7055 11.0287 11.0287 12.3670 12.3670 12.8045 12.8045 18.6095 18.6095 21.4187 21.4187 24.3105 24.3105 k = 0.5532 0.1351 0.2910 ( 671 PWs) bands (ev): -7.3686 -7.3686 3.9117 3.9117 6.0496 6.0496 6.3679 6.3679 10.5396 10.5396 10.7069 10.7069 11.0246 11.0246 12.3121 12.3121 12.7783 12.7783 18.7215 18.7215 21.3861 21.3861 24.1948 24.1948 k = 0.5559 0.1274 0.2953 ( 671 PWs) bands (ev): -7.3639 -7.3639 3.9518 3.9518 6.0261 6.0261 6.3761 6.3761 10.5248 10.5248 10.7085 10.7085 11.0208 11.0208 12.2574 12.2574 12.7511 12.7511 18.8354 18.8354 21.3523 21.3523 24.0804 24.0804 k = 0.5585 0.1198 0.2997 ( 673 PWs) bands (ev): -7.3592 -7.3592 3.9936 3.9936 6.0015 6.0015 6.3846 6.3846 10.5093 10.5093 10.7101 10.7101 11.0171 11.0171 12.2028 12.2028 12.7230 12.7230 18.9506 18.9506 21.3173 21.3173 23.9678 23.9678 k = 0.5612 0.1121 0.3040 ( 673 PWs) bands (ev): -7.3543 -7.3543 4.0369 4.0369 5.9760 5.9760 6.3934 6.3934 10.4934 10.4934 10.7120 10.7120 11.0138 11.0138 12.1488 12.1488 12.6940 12.6940 19.0667 19.0667 21.2814 21.2814 23.8573 23.8573 k = 0.5638 0.1044 0.3084 ( 673 PWs) bands (ev): -7.3494 -7.3494 4.0817 4.0817 5.9495 5.9495 6.4026 6.4026 10.4769 10.4769 10.7140 10.7140 11.0108 11.0108 12.0953 12.0953 12.6642 12.6642 19.1832 19.1832 21.2448 21.2448 23.7492 23.7492 k = 0.5665 0.0967 0.3127 ( 676 PWs) bands (ev): -7.3445 -7.3445 4.1279 4.1279 5.9221 5.9221 6.4121 6.4121 10.4598 10.4598 10.7160 10.7160 11.0081 11.0081 12.0427 12.0427 12.6336 12.6336 19.2996 19.2996 21.2078 21.2078 23.6439 23.6439 k = 0.5691 0.0891 0.3170 ( 678 PWs) bands (ev): -7.3395 -7.3395 4.1754 4.1754 5.8939 5.8939 6.4218 6.4218 10.4423 10.4423 10.7183 10.7183 11.0059 11.0059 11.9909 11.9909 12.6022 12.6022 19.4153 19.4153 21.1708 21.1708 23.5414 23.5414 k = 0.5718 0.0814 0.3214 ( 678 PWs) bands (ev): -7.3345 -7.3345 4.2242 4.2242 5.8649 5.8649 6.4319 6.4319 10.4242 10.4242 10.7208 10.7208 11.0042 11.0042 11.9403 11.9403 12.5703 12.5703 19.5294 19.5294 21.1343 21.1343 23.4421 23.4421 k = 0.5745 0.0737 0.3257 ( 680 PWs) bands (ev): -7.3296 -7.3296 4.2743 4.2743 5.8351 5.8351 6.4423 6.4423 10.4056 10.4056 10.7234 10.7234 11.0029 11.0029 11.8909 11.8909 12.5376 12.5376 19.6410 19.6410 21.0994 21.0994 23.3461 23.3461 k = 0.5771 0.0660 0.3301 ( 680 PWs) bands (ev): -7.3247 -7.3247 4.3254 4.3254 5.8047 5.8047 6.4530 6.4530 10.3864 10.3864 10.7262 10.7262 11.0021 11.0021 11.8429 11.8429 12.5044 12.5044 19.7486 19.7486 21.0670 21.0670 23.2535 23.2535 k = 0.5798 0.0583 0.3344 ( 679 PWs) bands (ev): -7.3199 -7.3199 4.3776 4.3776 5.7736 5.7736 6.4640 6.4640 10.3668 10.3668 10.7293 10.7293 11.0018 11.0018 11.7963 11.7963 12.4707 12.4707 19.8506 19.8506 21.0389 21.0389 23.1645 23.1645 k = 0.5824 0.0507 0.3388 ( 675 PWs) bands (ev): -7.3152 -7.3152 4.4308 4.4308 5.7420 5.7420 6.4753 6.4753 10.3467 10.3467 10.7327 10.7327 11.0020 11.0020 11.7515 11.7515 12.4365 12.4365 19.9444 19.9444 21.0173 21.0173 23.0793 23.0793 k = 0.5851 0.0430 0.3431 ( 676 PWs) bands (ev): -7.3106 -7.3106 4.4848 4.4848 5.7099 5.7099 6.4868 6.4868 10.3259 10.3259 10.7361 10.7361 11.0026 11.0026 11.7084 11.7084 12.4017 12.4017 20.0268 20.0268 21.0053 21.0053 22.9977 22.9977 k = 0.5878 0.0353 0.3474 ( 678 PWs) bands (ev): -7.3061 -7.3061 4.5395 4.5395 5.6774 5.6774 6.4986 6.4986 10.3047 10.3047 10.7397 10.7397 11.0035 11.0035 11.6671 11.6671 12.3666 12.3666 20.0942 20.0942 21.0065 21.0065 22.9198 22.9198 k = 0.5904 0.0276 0.3518 ( 677 PWs) bands (ev): -7.3019 -7.3019 4.5949 4.5949 5.6447 5.6447 6.5107 6.5107 10.2830 10.2830 10.7435 10.7435 11.0050 11.0050 11.6280 11.6280 12.3311 12.3311 20.1431 20.1431 21.0244 21.0244 22.8457 22.8457 k = 0.5931 0.0200 0.3561 ( 677 PWs) bands (ev): -7.2978 -7.2978 4.6507 4.6507 5.6118 5.6118 6.5231 6.5231 10.2608 10.2608 10.7475 10.7475 11.0067 11.0067 11.5910 11.5910 12.2952 12.2952 20.1712 20.1712 21.0610 21.0610 22.7754 22.7754 k = 0.5957 0.0123 0.3605 ( 677 PWs) bands (ev): -7.2940 -7.2940 4.7069 4.7069 5.5790 5.5790 6.5357 6.5357 10.2381 10.2381 10.7516 10.7516 11.0087 11.0087 11.5563 11.5563 12.2590 12.2590 20.1792 20.1792 21.1157 21.1157 22.7088 22.7088 k = 0.5984 0.0046 0.3648 ( 677 PWs) bands (ev): -7.2904 -7.2904 4.7632 4.7632 5.5464 5.5464 6.5486 6.5486 10.2151 10.2151 10.7559 10.7559 11.0110 11.0110 11.5240 11.5240 12.2225 12.2225 20.1698 20.1698 21.1857 21.1857 22.6459 22.6459 k = 0.6011-0.0031 0.3692 ( 677 PWs) bands (ev): -7.2871 -7.2871 4.8193 4.8193 5.5144 5.5144 6.5617 6.5617 10.1917 10.1917 10.7603 10.7603 11.0132 11.0132 11.4942 11.4942 12.1859 12.1859 20.1465 20.1465 21.2675 21.2675 22.5866 22.5866 k = 0.6037-0.0107 0.3735 ( 677 PWs) bands (ev): -7.2841 -7.2841 4.8748 4.8748 5.4832 5.4832 6.5751 6.5751 10.1678 10.1678 10.7648 10.7648 11.0155 11.0155 11.4671 11.4671 12.1490 12.1490 20.1130 20.1130 21.3574 21.3574 22.5309 22.5309 k = 0.6064-0.0184 0.3778 ( 677 PWs) bands (ev): -7.2815 -7.2815 4.9291 4.9291 5.4536 5.4536 6.5887 6.5887 10.1435 10.1435 10.7695 10.7695 11.0178 11.0178 11.4429 11.4429 12.1120 12.1120 20.0720 20.0720 21.4526 21.4526 22.4787 22.4787 k = 0.6090-0.0261 0.3822 ( 675 PWs) bands (ev): -7.2792 -7.2792 4.9812 4.9812 5.4265 5.4265 6.6026 6.6026 10.1191 10.1191 10.7742 10.7742 11.0198 11.0198 11.4217 11.4217 12.0749 12.0749 20.0257 20.0257 21.5510 21.5510 22.4299 22.4299 k = 0.6117-0.0338 0.3865 ( 676 PWs) bands (ev): -7.2773 -7.2773 5.0295 5.0295 5.4036 5.4036 6.6167 6.6167 10.0942 10.0942 10.7789 10.7789 11.0215 11.0215 11.4034 11.4034 12.0375 12.0375 19.9756 19.9756 21.6510 21.6510 22.3845 22.3845 k = 0.6144-0.0415 0.3909 ( 676 PWs) bands (ev): -7.2759 -7.2759 5.0710 5.0710 5.3878 5.3878 6.6310 6.6310 10.0691 10.0691 10.7838 10.7838 11.0227 11.0227 11.3883 11.3883 12.0002 12.0002 19.9227 19.9227 21.7515 21.7515 22.3425 22.3425 k = 0.6170-0.0491 0.3952 ( 676 PWs) bands (ev): -7.2748 -7.2748 5.1015 5.1015 5.3834 5.3834 6.6456 6.6456 10.0437 10.0437 10.7887 10.7887 11.0235 11.0235 11.3763 11.3763 11.9629 11.9629 19.8681 19.8681 21.8515 21.8515 22.3038 22.3038 k = 0.6197-0.0568 0.3996 ( 676 PWs) bands (ev): -7.2743 -7.2743 5.1168 5.1168 5.3947 5.3947 6.6605 6.6605 10.0181 10.0181 10.7935 10.7935 11.0237 11.0237 11.3674 11.3674 11.9257 11.9257 19.8123 19.8123 21.9500 21.9500 22.2689 22.2689 k = 0.6223-0.0645 0.4039 ( 676 PWs) bands (ev): -7.2743 -7.2743 5.1163 5.1163 5.4220 5.4220 6.6755 6.6755 9.9924 9.9924 10.7984 10.7984 11.0235 11.0235 11.3616 11.3616 11.8885 11.8885 19.7558 19.7558 22.0453 22.0453 22.2389 22.2389 k = 0.6250-0.0722 0.4082 ( 682 PWs) bands (ev): -7.2748 -7.2748 5.1040 5.1040 5.4615 5.4615 6.6908 6.6908 9.9664 9.9664 10.8031 10.8031 11.0226 11.0226 11.3585 11.3585 11.8513 11.8513 19.6990 19.6990 22.1289 22.1289 22.2217 22.2217 k = 0.6250-0.0722 0.4082 ( 682 PWs) bands (ev): -7.2748 -7.2748 5.1040 5.1040 5.4615 5.4615 6.6908 6.6908 9.9664 9.9664 10.8031 10.8031 11.0226 11.0226 11.3585 11.3585 11.8513 11.8513 19.6990 19.6990 22.1289 22.1289 22.2217 22.2217 k = 0.6204-0.0695 0.4158 ( 676 PWs) bands (ev): -7.2747 -7.2747 5.1046 5.1046 5.4620 5.4620 6.6890 6.6890 9.9678 9.9678 10.8030 10.8030 11.0226 11.0226 11.3575 11.3575 11.8516 11.8516 19.7013 19.7013 22.1298 22.1298 22.2220 22.2220 k = 0.6157-0.0668 0.4234 ( 676 PWs) bands (ev): -7.2744 -7.2744 5.1064 5.1064 5.4633 5.4633 6.6836 6.6836 9.9717 9.9717 10.8022 10.8022 11.0218 11.0218 11.3545 11.3545 11.8519 11.8519 19.7082 19.7082 22.1321 22.1321 22.2227 22.2227 k = 0.6111-0.0642 0.4309 ( 676 PWs) bands (ev): -7.2740 -7.2740 5.1094 5.1094 5.4656 5.4656 6.6746 6.6746 9.9782 9.9782 10.8009 10.8009 11.0206 11.0206 11.3495 11.3495 11.8524 11.8524 19.7197 19.7197 22.1360 22.1360 22.2241 22.2241 k = 0.6065-0.0615 0.4385 ( 676 PWs) bands (ev): -7.2733 -7.2733 5.1136 5.1136 5.4688 5.4688 6.6620 6.6620 9.9873 9.9873 10.7991 10.7991 11.0189 11.0189 11.3426 11.3426 11.8530 11.8530 19.7355 19.7355 22.1415 22.1415 22.2259 22.2259 k = 0.6019-0.0588 0.4460 ( 674 PWs) bands (ev): -7.2725 -7.2725 5.1190 5.1190 5.4729 5.4729 6.6461 6.6461 9.9989 9.9989 10.7968 10.7968 11.0167 11.0167 11.3341 11.3341 11.8537 11.8537 19.7555 19.7555 22.1486 22.1486 22.2284 22.2284 k = 0.5972-0.0561 0.4536 ( 674 PWs) bands (ev): -7.2715 -7.2715 5.1256 5.1256 5.4778 5.4778 6.6268 6.6268 10.0126 10.0126 10.7938 10.7938 11.0141 11.0141 11.3239 11.3239 11.8545 11.8545 19.7793 19.7793 22.1572 22.1572 22.2314 22.2314 k = 0.5926-0.0535 0.4612 ( 674 PWs) bands (ev): -7.2704 -7.2704 5.1333 5.1333 5.4836 5.4836 6.6044 6.6044 10.0286 10.0286 10.7903 10.7903 11.0110 11.0110 11.3124 11.3124 11.8554 11.8554 19.8067 19.8067 22.1674 22.1674 22.2351 22.2351 k = 0.5880-0.0508 0.4687 ( 674 PWs) bands (ev): -7.2691 -7.2691 5.1423 5.1423 5.4901 5.4901 6.5789 6.5789 10.0467 10.0467 10.7862 10.7862 11.0075 11.0075 11.2997 11.2997 11.8562 11.8562 19.8373 19.8373 22.1790 22.1790 22.2395 22.2395 k = 0.5833-0.0481 0.4763 ( 674 PWs) bands (ev): -7.2677 -7.2677 5.1524 5.1524 5.4974 5.4974 6.5507 6.5507 10.0667 10.0667 10.7814 10.7814 11.0037 11.0037 11.2861 11.2861 11.8570 11.8570 19.8707 19.8707 22.1920 22.1920 22.2448 22.2448 k = 0.5787-0.0454 0.4838 ( 674 PWs) bands (ev): -7.2661 -7.2661 5.1637 5.1637 5.5054 5.5054 6.5198 6.5198 10.0884 10.0884 10.7759 10.7759 10.9995 10.9995 11.2717 11.2717 11.8577 11.8577 19.9064 19.9064 22.2060 22.2060 22.2513 22.2513 k = 0.5741-0.0428 0.4914 ( 674 PWs) bands (ev): -7.2645 -7.2645 5.1761 5.1761 5.5140 5.5140 6.4867 6.4867 10.1116 10.1116 10.7696 10.7696 10.9949 10.9949 11.2569 11.2569 11.8584 11.8584 19.9439 19.9439 22.2206 22.2206 22.2594 22.2594 k = 0.5694-0.0401 0.4990 ( 674 PWs) bands (ev): -7.2628 -7.2628 5.1898 5.1898 5.5232 5.5232 6.4513 6.4513 10.1363 10.1363 10.7627 10.7627 10.9901 10.9901 11.2419 11.2419 11.8589 11.8589 19.9827 19.9827 22.2348 22.2348 22.2701 22.2701 k = 0.5648-0.0374 0.5065 ( 674 PWs) bands (ev): -7.2610 -7.2610 5.2045 5.2045 5.5328 5.5328 6.4140 6.4140 10.1621 10.1621 10.7549 10.7549 10.9851 10.9851 11.2269 11.2269 11.8592 11.8592 20.0223 20.0223 22.2476 22.2476 22.2840 22.2840 k = 0.5602-0.0347 0.5141 ( 678 PWs) bands (ev): -7.2591 -7.2591 5.2205 5.2205 5.5428 5.5428 6.3750 6.3750 10.1888 10.1888 10.7463 10.7463 10.9798 10.9798 11.2121 11.2121 11.8593 11.8593 20.0621 20.0621 22.2589 22.2589 22.3013 22.3013 k = 0.5556-0.0321 0.5217 ( 678 PWs) bands (ev): -7.2573 -7.2573 5.2375 5.2375 5.5530 5.5530 6.3348 6.3348 10.2164 10.2164 10.7369 10.7369 10.9743 10.9743 11.1978 11.1978 11.8594 11.8594 20.1016 20.1016 22.2692 22.2692 22.3212 22.3212 k = 0.5509-0.0294 0.5292 ( 678 PWs) bands (ev): -7.2554 -7.2554 5.2557 5.2557 5.5632 5.5632 6.2936 6.2936 10.2446 10.2446 10.7266 10.7266 10.9688 10.9688 11.1842 11.1842 11.8593 11.8593 20.1402 20.1402 22.2793 22.2793 22.3424 22.3424 k = 0.5463-0.0267 0.5368 ( 678 PWs) bands (ev): -7.2535 -7.2535 5.2750 5.2750 5.5731 5.5731 6.2519 6.2519 10.2732 10.2732 10.7153 10.7153 10.9631 10.9631 11.1714 11.1714 11.8592 11.8592 20.1775 20.1775 22.2895 22.2895 22.3643 22.3643 k = 0.5417-0.0241 0.5443 ( 676 PWs) bands (ev): -7.2517 -7.2517 5.2954 5.2954 5.5826 5.5826 6.2101 6.2101 10.3021 10.3021 10.7032 10.7032 10.9576 10.9576 11.1596 11.1596 11.8589 11.8589 20.2129 20.2129 22.3001 22.3001 22.3860 22.3860 k = 0.5370-0.0214 0.5519 ( 676 PWs) bands (ev): -7.2500 -7.2500 5.3170 5.3170 5.5910 5.5910 6.1689 6.1689 10.3308 10.3308 10.6901 10.6901 10.9522 10.9522 11.1489 11.1489 11.8585 11.8585 20.2461 20.2461 22.3113 22.3113 22.4066 22.4066 k = 0.5324-0.0187 0.5595 ( 674 PWs) bands (ev): -7.2483 -7.2483 5.3396 5.3396 5.5979 5.5979 6.1290 6.1290 10.3593 10.3593 10.6763 10.6763 10.9470 10.9470 11.1395 11.1395 11.8581 11.8581 20.2765 20.2765 22.3232 22.3232 22.4253 22.4253 k = 0.5278-0.0160 0.5670 ( 677 PWs) bands (ev): -7.2468 -7.2468 5.3633 5.3633 5.6024 5.6024 6.0912 6.0912 10.3872 10.3872 10.6615 10.6615 10.9420 10.9420 11.1312 11.1312 11.8575 11.8575 20.3037 20.3037 22.3357 22.3357 22.4412 22.4412 k = 0.5231-0.0134 0.5746 ( 680 PWs) bands (ev): -7.2454 -7.2454 5.3880 5.3880 5.6037 5.6037 6.0567 6.0567 10.4143 10.4143 10.6458 10.6458 10.9375 10.9375 11.1242 11.1242 11.8569 11.8569 20.3276 20.3276 22.3490 22.3490 22.4534 22.4534 k = 0.5185-0.0107 0.5821 ( 684 PWs) bands (ev): -7.2442 -7.2442 5.4138 5.4138 5.6005 5.6005 6.0269 6.0269 10.4400 10.4400 10.6295 10.6295 10.9336 10.9336 11.1185 11.1185 11.8563 11.8563 20.3476 20.3476 22.3630 22.3630 22.4612 22.4612 k = 0.5139-0.0080 0.5897 ( 684 PWs) bands (ev): -7.2432 -7.2432 5.4406 5.4406 5.5919 5.5919 6.0029 6.0029 10.4644 10.4644 10.6129 10.6129 10.9305 10.9305 11.1142 11.1142 11.8559 11.8559 20.3636 20.3636 22.3777 22.3777 22.4638 22.4638 k = 0.5093-0.0053 0.5973 ( 684 PWs) bands (ev): -7.2425 -7.2425 5.4683 5.4683 5.5769 5.5769 5.9858 5.9858 10.4862 10.4862 10.5968 10.5968 10.9282 10.9282 11.1112 11.1112 11.8555 11.8555 20.3753 20.3753 22.3930 22.3930 22.4611 22.4611 k = 0.5046-0.0027 0.6048 ( 684 PWs) bands (ev): -7.2420 -7.2420 5.4969 5.4969 5.5556 5.5556 5.9758 5.9758 10.5032 10.5032 10.5833 10.5833 10.9269 10.9269 11.1094 11.1094 11.8553 11.8553 20.3825 20.3825 22.4078 22.4078 22.4537 22.4537 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -7.2419 -7.2419 5.5214 5.5214 5.5334 5.5334 5.9727 5.9727 10.5103 10.5103 10.5773 10.5773 10.9264 10.9264 11.1089 11.1089 11.8552 11.8552 20.3849 20.3849 22.4164 22.4164 22.4474 22.4474 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -7.2419 -7.2419 5.5214 5.5214 5.5334 5.5334 5.9727 5.9727 10.5103 10.5103 10.5773 10.5773 10.9264 10.9264 11.1089 11.1089 11.8552 11.8552 20.3849 20.3849 22.4164 22.4164 22.4474 22.4474 k = 0.5000 0.0053 0.6048 ( 684 PWs) bands (ev): -7.2420 -7.2420 5.5181 5.5181 5.5316 5.5316 5.9768 5.9768 10.5101 10.5101 10.5769 10.5769 10.9272 10.9272 11.1101 11.1101 11.8565 11.8565 20.3862 20.3862 22.4123 22.4123 22.4449 22.4449 k = 0.5000 0.0107 0.5973 ( 684 PWs) bands (ev): -7.2425 -7.2425 5.5037 5.5037 5.5314 5.5314 5.9886 5.9886 10.5094 10.5094 10.5758 10.5758 10.9297 10.9297 11.1138 11.1138 11.8604 11.8604 20.3901 20.3901 22.3946 22.3946 22.4433 22.4433 k = 0.5000 0.0160 0.5897 ( 684 PWs) bands (ev): -7.2433 -7.2433 5.4785 5.4785 5.5340 5.5340 6.0065 6.0065 10.5082 10.5082 10.5740 10.5740 10.9336 10.9336 11.1200 11.1200 11.8668 11.8668 20.3965 20.3965 22.3590 22.3590 22.4473 22.4473 k = 0.5000 0.0214 0.5821 ( 684 PWs) bands (ev): -7.2444 -7.2444 5.4455 5.4455 5.5384 5.5384 6.0287 6.0287 10.5066 10.5066 10.5719 10.5719 10.9385 10.9385 11.1288 11.1288 11.8758 11.8758 20.4055 20.4055 22.3081 22.3081 22.4557 22.4557 k = 0.5000 0.0267 0.5746 ( 680 PWs) bands (ev): -7.2458 -7.2458 5.4066 5.4066 5.5443 5.5443 6.0534 6.0534 10.5046 10.5046 10.5696 10.5696 10.9444 10.9444 11.1404 11.1404 11.8873 11.8873 20.4171 20.4171 22.2441 22.2441 22.4675 22.4675 k = 0.5000 0.0321 0.5670 ( 680 PWs) bands (ev): -7.2474 -7.2474 5.3634 5.3634 5.5514 5.5514 6.0794 6.0794 10.5021 10.5021 10.5675 10.5675 10.9505 10.9505 11.1546 11.1546 11.9011 11.9011 20.4311 20.4311 22.1687 22.1687 22.4823 22.4823 k = 0.5000 0.0374 0.5595 ( 682 PWs) bands (ev): -7.2494 -7.2494 5.3167 5.3167 5.5599 5.5599 6.1058 6.1058 10.4991 10.4991 10.5656 10.5656 10.9567 10.9567 11.1716 11.1716 11.9173 11.9173 20.4475 20.4475 22.0834 22.0834 22.5000 22.5000 k = 0.5000 0.0428 0.5519 ( 682 PWs) bands (ev): -7.2517 -7.2517 5.2675 5.2675 5.5696 5.5696 6.1319 6.1319 10.4958 10.4958 10.5643 10.5643 10.9627 10.9627 11.1913 11.1913 11.9358 11.9358 20.4664 20.4664 21.9897 21.9897 22.5206 22.5206 k = 0.5000 0.0481 0.5443 ( 682 PWs) bands (ev): -7.2542 -7.2542 5.2162 5.2162 5.5804 5.5804 6.1572 6.1572 10.4924 10.4924 10.5636 10.5636 10.9683 10.9683 11.2138 11.2138 11.9565 11.9565 20.4875 20.4875 21.8889 21.8889 22.5442 22.5442 k = 0.5000 0.0535 0.5368 ( 676 PWs) bands (ev): -7.2571 -7.2571 5.1633 5.1633 5.5925 5.5925 6.1815 6.1815 10.4890 10.4890 10.5638 10.5638 10.9736 10.9736 11.2390 11.2390 11.9794 11.9794 20.5109 20.5109 21.7819 21.7819 22.5708 22.5708 k = 0.5000 0.0588 0.5292 ( 676 PWs) bands (ev): -7.2601 -7.2601 5.1092 5.1092 5.6056 5.6056 6.2044 6.2044 10.4855 10.4855 10.5647 10.5647 10.9782 10.9782 11.2665 11.2665 12.0041 12.0041 20.5363 20.5363 21.6698 21.6698 22.6003 22.6003 k = 0.5000 0.0642 0.5217 ( 676 PWs) bands (ev): -7.2634 -7.2634 5.0541 5.0541 5.6198 5.6198 6.2259 6.2259 10.4823 10.4823 10.5662 10.5662 10.9822 10.9822 11.2962 11.2962 12.0305 12.0305 20.5639 20.5639 21.5534 21.5534 22.6330 22.6330 k = 0.5000 0.0695 0.5141 ( 678 PWs) bands (ev): -7.2670 -7.2670 4.9982 4.9982 5.6350 5.6350 6.2459 6.2459 10.4793 10.4793 10.5685 10.5685 10.9857 10.9857 11.3280 11.3280 12.0586 12.0586 20.5933 20.5933 21.4333 21.4333 22.6687 22.6687 k = 0.5000 0.0748 0.5065 ( 678 PWs) bands (ev): -7.2708 -7.2708 4.9419 4.9419 5.6512 5.6512 6.2642 6.2642 10.4768 10.4768 10.5715 10.5715 10.9887 10.9887 11.3619 11.3619 12.0882 12.0882 20.6245 20.6245 21.3103 21.3103 22.7077 22.7077 k = 0.5000 0.0802 0.4990 ( 676 PWs) bands (ev): -7.2747 -7.2747 4.8852 4.8852 5.6682 5.6682 6.2808 6.2808 10.4749 10.4749 10.5751 10.5751 10.9914 10.9914 11.3977 11.3977 12.1192 12.1192 20.6573 20.6573 21.1849 21.1849 22.7499 22.7499 k = 0.5000 0.0855 0.4914 ( 676 PWs) bands (ev): -7.2789 -7.2789 4.8284 4.8284 5.6860 5.6860 6.2958 6.2958 10.4736 10.4736 10.5795 10.5795 10.9935 10.9935 11.4351 11.4351 12.1515 12.1515 20.6916 20.6916 21.0576 21.0576 22.7955 22.7955 k = 0.5000 0.0909 0.4838 ( 676 PWs) bands (ev): -7.2833 -7.2833 4.7715 4.7715 5.7046 5.7046 6.3092 6.3092 10.4729 10.4729 10.5842 10.5842 10.9953 10.9953 11.4742 11.4742 12.1847 12.1847 20.7271 20.7271 20.9289 20.9289 22.8445 22.8445 k = 0.5000 0.0962 0.4763 ( 672 PWs) bands (ev): -7.2878 -7.2878 4.7148 4.7148 5.7240 5.7240 6.3210 6.3210 10.4732 10.4732 10.5896 10.5896 10.9969 10.9969 11.5149 11.5149 12.2187 12.2187 20.7603 20.7603 20.8025 20.8025 22.8970 22.8970 k = 0.5000 0.1016 0.4687 ( 674 PWs) bands (ev): -7.2924 -7.2924 4.6584 4.6584 5.7439 5.7439 6.3312 6.3312 10.4738 10.4738 10.5952 10.5952 10.9982 10.9982 11.5569 11.5569 12.2535 12.2535 20.6652 20.6652 20.8044 20.8044 22.9530 22.9530 k = 0.5000 0.1069 0.4612 ( 674 PWs) bands (ev): -7.2972 -7.2972 4.6023 4.6023 5.7644 5.7644 6.3399 6.3399 10.4753 10.4753 10.6013 10.6013 10.9993 10.9993 11.6003 11.6003 12.2887 12.2887 20.5341 20.5341 20.8426 20.8426 23.0127 23.0127 k = 0.5000 0.1123 0.4536 ( 674 PWs) bands (ev): -7.3021 -7.3021 4.5468 4.5468 5.7853 5.7853 6.3471 6.3471 10.4775 10.4775 10.6076 10.6076 11.0004 11.0004 11.6451 11.6451 12.3244 12.3244 20.4021 20.4021 20.8821 20.8821 23.0760 23.0760 k = 0.5000 0.1176 0.4460 ( 672 PWs) bands (ev): -7.3071 -7.3071 4.4919 4.4919 5.8066 5.8066 6.3531 6.3531 10.4807 10.4807 10.6141 10.6141 11.0014 11.0014 11.6912 11.6912 12.3603 12.3603 20.2699 20.2699 20.9222 20.9222 23.1431 23.1431 k = 0.5000 0.1230 0.4385 ( 672 PWs) bands (ev): -7.3121 -7.3121 4.4378 4.4378 5.8283 5.8283 6.3577 6.3577 10.4845 10.4845 10.6207 10.6207 11.0024 11.0024 11.7384 11.7384 12.3963 12.3963 20.1377 20.1377 20.9626 20.9626 23.2139 23.2139 k = 0.5000 0.1283 0.4309 ( 672 PWs) bands (ev): -7.3173 -7.3173 4.3844 4.3844 5.8502 5.8502 6.3611 6.3611 10.4889 10.4889 10.6274 10.6274 11.0034 11.0034 11.7866 11.7866 12.4322 12.4322 20.0057 20.0057 21.0032 21.0032 23.2885 23.2885 k = 0.5000 0.1336 0.4234 ( 674 PWs) bands (ev): -7.3224 -7.3224 4.3320 4.3320 5.8722 5.8722 6.3634 6.3634 10.4940 10.4940 10.6340 10.6340 11.0046 11.0046 11.8358 11.8358 12.4680 12.4680 19.8743 19.8743 21.0438 21.0438 23.3669 23.3669 k = 0.5000 0.1390 0.4158 ( 676 PWs) bands (ev): -7.3276 -7.3276 4.2806 4.2806 5.8944 5.8944 6.3647 6.3647 10.4998 10.4998 10.6404 10.6404 11.0058 11.0058 11.8859 11.8859 12.5034 12.5034 19.7435 19.7435 21.0843 21.0843 23.4490 23.4490 k = 0.5000 0.1443 0.4082 ( 676 PWs) bands (ev): -7.3328 -7.3328 4.2303 4.2303 5.9165 5.9165 6.3650 6.3650 10.5062 10.5062 10.6467 10.6467 11.0074 11.0074 11.9371 11.9371 12.5385 12.5385 19.6136 19.6136 21.1244 21.1244 23.5348 23.5348 k = 0.5000 0.1497 0.4007 ( 676 PWs) bands (ev): -7.3380 -7.3380 4.1813 4.1813 5.9386 5.9386 6.3645 6.3645 10.5133 10.5133 10.6528 10.6528 11.0092 11.0092 11.9890 11.9890 12.5730 12.5730 19.4847 19.4847 21.1640 21.1640 23.6243 23.6243 k = 0.5000 0.1550 0.3931 ( 676 PWs) bands (ev): -7.3432 -7.3432 4.1334 4.1334 5.9605 5.9605 6.3632 6.3632 10.5208 10.5208 10.6585 10.6585 11.0112 11.0112 12.0417 12.0417 12.6069 12.6069 19.3571 19.3571 21.2030 21.2030 23.7172 23.7172 k = 0.5000 0.1604 0.3856 ( 676 PWs) bands (ev): -7.3483 -7.3483 4.0869 4.0869 5.9822 5.9822 6.3613 6.3613 10.5289 10.5289 10.6638 10.6638 11.0136 11.0136 12.0949 12.0949 12.6400 12.6400 19.2310 19.2310 21.2411 21.2411 23.8136 23.8136 k = 0.5000 0.1657 0.3780 ( 676 PWs) bands (ev): -7.3533 -7.3533 4.0418 4.0418 6.0036 6.0036 6.3587 6.3587 10.5373 10.5373 10.6688 10.6688 11.0162 11.0162 12.1488 12.1488 12.6724 12.6724 19.1064 19.1064 21.2784 21.2784 23.9131 23.9131 k = 0.5000 0.1711 0.3704 ( 676 PWs) bands (ev): -7.3583 -7.3583 3.9982 3.9982 6.0246 6.0246 6.3557 6.3557 10.5462 10.5462 10.6733 10.6733 11.0192 11.0192 12.2030 12.2030 12.7038 12.7038 18.9838 18.9838 21.3147 21.3147 24.0156 24.0156 k = 0.5000 0.1764 0.3629 ( 672 PWs) bands (ev): -7.3632 -7.3632 3.9561 3.9561 6.0452 6.0452 6.3522 6.3522 10.5554 10.5554 10.6774 10.6774 11.0226 11.0226 12.2576 12.2576 12.7344 12.7344 18.8632 18.8632 21.3499 21.3499 24.1208 24.1208 k = 0.5000 0.1818 0.3553 ( 672 PWs) bands (ev): -7.3680 -7.3680 3.9155 3.9155 6.0653 6.0653 6.3484 6.3484 10.5648 10.5648 10.6810 10.6810 11.0261 11.0261 12.3122 12.3122 12.7638 12.7638 18.7449 18.7449 21.3839 21.3839 24.2283 24.2283 k = 0.5000 0.1871 0.3478 ( 672 PWs) bands (ev): -7.3726 -7.3726 3.8766 3.8766 6.0848 6.0848 6.3443 6.3443 10.5743 10.5743 10.6842 10.6842 11.0298 11.0298 12.3669 12.3669 12.7920 12.7920 18.6291 18.6291 21.4166 21.4166 24.3379 24.3379 k = 0.5000 0.1925 0.3402 ( 674 PWs) bands (ev): -7.3771 -7.3771 3.8395 3.8395 6.1037 6.1037 6.3400 6.3400 10.5838 10.5838 10.6868 10.6868 11.0338 11.0338 12.4213 12.4213 12.8191 12.8191 18.5160 18.5160 21.4479 21.4479 24.4491 24.4491 k = 0.5000 0.1978 0.3326 ( 668 PWs) bands (ev): -7.3814 -7.3814 3.8040 3.8040 6.1220 6.1220 6.3356 6.3356 10.5935 10.5935 10.6894 10.6894 11.0379 11.0379 12.4756 12.4756 12.8451 12.8451 18.4061 18.4061 21.4778 21.4778 24.5614 24.5614 k = 0.5000 0.2031 0.3251 ( 668 PWs) bands (ev): -7.3856 -7.3856 3.7704 3.7704 6.1394 6.1394 6.3311 6.3311 10.6031 10.6031 10.6913 10.6913 11.0422 11.0422 12.5291 12.5291 12.8697 12.8697 18.2994 18.2994 21.5062 21.5062 24.6742 24.6742 k = 0.5000 0.2085 0.3175 ( 668 PWs) bands (ev): -7.3896 -7.3896 3.7386 3.7386 6.1560 6.1560 6.3266 6.3266 10.6126 10.6126 10.6928 10.6928 11.0465 11.0465 12.5818 12.5818 12.8931 12.8931 18.1964 18.1964 21.5332 21.5332 24.7871 24.7871 k = 0.5000 0.2138 0.3100 ( 666 PWs) bands (ev): -7.3934 -7.3934 3.7086 3.7086 6.1719 6.1719 6.3221 6.3221 10.6219 10.6219 10.6940 10.6940 11.0509 11.0509 12.6335 12.6335 12.9151 12.9151 18.0974 18.0974 21.5585 21.5585 24.8993 24.8993 k = 0.5000 0.2192 0.3024 ( 666 PWs) bands (ev): -7.3970 -7.3970 3.6806 3.6806 6.1868 6.1868 6.3177 6.3177 10.6309 10.6309 10.6949 10.6949 11.0552 11.0552 12.6838 12.6838 12.9357 12.9357 18.0026 18.0026 21.5823 21.5823 25.0101 25.0101 k = 0.5000 0.2245 0.2948 ( 670 PWs) bands (ev): -7.4003 -7.4003 3.6545 3.6545 6.2007 6.2007 6.3133 6.3133 10.6394 10.6394 10.6955 10.6955 11.0593 11.0593 12.7323 12.7323 12.9548 12.9548 17.9125 17.9125 21.6043 21.6043 25.1185 25.1185 k = 0.5000 0.2299 0.2873 ( 668 PWs) bands (ev): -7.4035 -7.4035 3.6303 3.6303 6.2136 6.2136 6.3093 6.3093 10.6476 10.6476 10.6961 10.6961 11.0634 11.0634 12.7789 12.7789 12.9727 12.9727 17.8275 17.8275 21.6248 21.6248 25.2238 25.2238 k = 0.5000 0.2352 0.2797 ( 668 PWs) bands (ev): -7.4064 -7.4064 3.6082 3.6082 6.2256 6.2256 6.3054 6.3054 10.6554 10.6554 10.6964 10.6964 11.0673 11.0673 12.8232 12.8232 12.9891 12.9891 17.7479 17.7479 21.6435 21.6435 25.3248 25.3248 k = 0.5000 0.2406 0.2722 ( 670 PWs) bands (ev): -7.4090 -7.4090 3.5881 3.5881 6.2363 6.2363 6.3019 6.3019 10.6626 10.6626 10.6965 10.6965 11.0710 11.0710 12.8647 12.8647 13.0040 13.0040 17.6742 17.6742 21.6605 21.6605 25.4204 25.4204 k = 0.5000 0.2459 0.2646 ( 666 PWs) bands (ev): -7.4114 -7.4114 3.5701 3.5701 6.2461 6.2461 6.2987 6.2987 10.6692 10.6692 10.6968 10.6968 11.0744 11.0744 12.9031 12.9031 13.0176 13.0176 17.6067 17.6067 21.6758 21.6758 25.5093 25.5093 k = 0.5000 0.2513 0.2570 ( 666 PWs) bands (ev): -7.4135 -7.4135 3.5541 3.5541 6.2547 6.2547 6.2958 6.2958 10.6752 10.6752 10.6968 10.6968 11.0775 11.0775 12.9379 12.9379 13.0298 13.0298 17.5460 17.5460 21.6893 21.6893 25.5901 25.5901 k = 0.5000 0.2566 0.2495 ( 668 PWs) bands (ev): -7.4154 -7.4154 3.5403 3.5403 6.2620 6.2620 6.2934 6.2934 10.6804 10.6804 10.6967 10.6967 11.0802 11.0802 12.9687 12.9687 13.0407 13.0407 17.4923 17.4923 21.7011 21.7011 25.6610 25.6610 k = 0.5000 0.2619 0.2419 ( 666 PWs) bands (ev): -7.4170 -7.4170 3.5285 3.5285 6.2681 6.2681 6.2915 6.2915 10.6850 10.6850 10.6968 10.6968 11.0825 11.0825 12.9949 12.9949 13.0506 13.0506 17.4461 17.4461 21.7111 21.7111 25.7202 25.7202 k = 0.5000 0.2673 0.2344 ( 660 PWs) bands (ev): -7.4183 -7.4183 3.5189 3.5189 6.2730 6.2730 6.2903 6.2903 10.6889 10.6889 10.6969 10.6969 11.0845 11.0845 13.0162 13.0162 13.0594 13.0594 17.4078 17.4078 21.7192 21.7192 25.7658 25.7658 k = 0.5000 0.2726 0.2268 ( 654 PWs) bands (ev): -7.4193 -7.4193 3.5114 3.5114 6.2763 6.2763 6.2898 6.2898 10.6918 10.6918 10.6972 10.6972 11.0861 11.0861 13.0320 13.0320 13.0674 13.0674 17.3776 17.3776 21.7257 21.7257 25.7970 25.7970 k = 0.5000 0.2780 0.2192 ( 652 PWs) bands (ev): -7.4200 -7.4200 3.5060 3.5060 6.2781 6.2781 6.2900 6.2900 10.6935 10.6935 10.6977 10.6977 11.0873 11.0873 13.0424 13.0424 13.0742 13.0742 17.3558 17.3558 21.7302 21.7302 25.8152 25.8152 k = 0.5000 0.2833 0.2117 ( 652 PWs) bands (ev): -7.4205 -7.4205 3.5028 3.5028 6.2789 6.2789 6.2903 6.2903 10.6943 10.6943 10.6982 10.6982 11.0879 11.0879 13.0481 13.0481 13.0788 13.0788 17.3427 17.3427 21.7329 21.7329 25.8241 25.8241 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -7.4206 -7.4206 3.5017 3.5017 6.2791 6.2791 6.2905 6.2905 10.6945 10.6945 10.6984 10.6984 11.0882 11.0882 13.0499 13.0499 13.0805 13.0805 17.3383 17.3383 21.7338 21.7338 25.8266 25.8266 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -7.4206 -7.4206 3.5017 3.5017 6.2791 6.2791 6.2905 6.2905 10.6945 10.6945 10.6984 10.6984 11.0882 11.0882 13.0499 13.0499 13.0805 13.0805 17.3383 17.3383 21.7338 21.7338 25.8266 25.8266 k = 0.4973 0.2871 0.2128 ( 652 PWs) bands (ev): -7.4205 -7.4205 3.5028 3.5028 6.2789 6.2789 6.2903 6.2903 10.6943 10.6943 10.6982 10.6982 11.0879 11.0879 13.0481 13.0481 13.0789 13.0789 17.3427 17.3427 21.7329 21.7329 25.8241 25.8241 k = 0.4947 0.2856 0.2215 ( 652 PWs) bands (ev): -7.4200 -7.4200 3.5059 3.5059 6.2782 6.2782 6.2900 6.2900 10.6935 10.6935 10.6977 10.6977 11.0873 11.0873 13.0425 13.0425 13.0742 13.0742 17.3557 17.3557 21.7302 21.7302 25.8154 25.8154 k = 0.4920 0.2841 0.2302 ( 654 PWs) bands (ev): -7.4193 -7.4193 3.5113 3.5113 6.2763 6.2763 6.2899 6.2899 10.6918 10.6918 10.6973 10.6973 11.0861 11.0861 13.0322 13.0322 13.0675 13.0675 17.3772 17.3772 21.7257 21.7257 25.7973 25.7973 k = 0.4894 0.2825 0.2389 ( 662 PWs) bands (ev): -7.4183 -7.4183 3.5187 3.5187 6.2730 6.2730 6.2903 6.2903 10.6888 10.6888 10.6970 10.6970 11.0845 11.0845 13.0166 13.0166 13.0596 13.0596 17.4071 17.4071 21.7194 21.7194 25.7665 25.7665 k = 0.4867 0.2810 0.2476 ( 668 PWs) bands (ev): -7.4170 -7.4170 3.5282 3.5282 6.2683 6.2683 6.2915 6.2915 10.6850 10.6850 10.6967 10.6967 11.0826 11.0826 12.9955 12.9955 13.0508 13.0508 17.4450 17.4450 21.7113 21.7113 25.7213 25.7213 k = 0.4840 0.2795 0.2562 ( 668 PWs) bands (ev): -7.4155 -7.4155 3.5399 3.5399 6.2622 6.2622 6.2934 6.2934 10.6805 10.6805 10.6968 10.6968 11.0802 11.0802 12.9694 12.9694 13.0411 13.0411 17.4908 17.4908 21.7014 21.7014 25.6624 25.6624 k = 0.4814 0.2779 0.2649 ( 668 PWs) bands (ev): -7.4136 -7.4136 3.5536 3.5536 6.2547 6.2547 6.2959 6.2959 10.6751 10.6751 10.6970 10.6970 11.0775 11.0775 12.9389 12.9389 13.0304 13.0304 17.5439 17.5439 21.6898 21.6898 25.5917 25.5917 k = 0.4787 0.2764 0.2736 ( 664 PWs) bands (ev): -7.4115 -7.4115 3.5694 3.5694 6.2461 6.2461 6.2990 6.2990 10.6690 10.6690 10.6974 10.6974 11.0746 11.0746 12.9043 12.9043 13.0186 13.0186 17.6041 17.6041 21.6764 21.6764 25.5110 25.5110 k = 0.4761 0.2749 0.2823 ( 663 PWs) bands (ev): -7.4091 -7.4091 3.5873 3.5873 6.2362 6.2362 6.3025 6.3025 10.6620 10.6620 10.6978 10.6978 11.0712 11.0712 12.8661 12.8661 13.0054 13.0054 17.6709 17.6709 21.6613 21.6613 25.4218 25.4218 k = 0.4734 0.2733 0.2910 ( 667 PWs) bands (ev): -7.4065 -7.4065 3.6072 3.6072 6.2250 6.2250 6.3063 6.3063 10.6542 10.6542 10.6980 10.6980 11.0675 11.0675 12.8246 12.8246 12.9908 12.9908 17.7439 17.7439 21.6444 21.6444 25.3256 25.3256 k = 0.4707 0.2718 0.2997 ( 667 PWs) bands (ev): -7.4036 -7.4036 3.6291 3.6291 6.2127 6.2127 6.3107 6.3107 10.6457 10.6457 10.6985 10.6985 11.0637 11.0637 12.7804 12.7804 12.9750 12.9750 17.8226 17.8226 21.6258 21.6258 25.2236 25.2236 k = 0.4681 0.2702 0.3084 ( 667 PWs) bands (ev): -7.4005 -7.4005 3.6530 3.6530 6.1991 6.1991 6.3155 6.3155 10.6366 10.6366 10.6990 10.6990 11.0596 11.0596 12.7338 12.7338 12.9579 12.9579 17.9066 17.9066 21.6055 21.6055 25.1169 25.1169 k = 0.4654 0.2687 0.3170 ( 670 PWs) bands (ev): -7.3972 -7.3972 3.6788 3.6788 6.1843 6.1843 6.3207 6.3207 10.6267 10.6267 10.6996 10.6996 11.0552 11.0552 12.6850 12.6850 12.9395 12.9395 17.9956 17.9956 21.5836 21.5836 25.0065 25.0065 k = 0.4628 0.2672 0.3257 ( 670 PWs) bands (ev): -7.3937 -7.3937 3.7066 3.7066 6.1685 6.1685 6.3263 6.3263 10.6161 10.6161 10.7004 10.7004 11.0509 11.0509 12.6346 12.6346 12.9199 12.9199 18.0890 18.0890 21.5600 21.5600 24.8933 24.8933 k = 0.4601 0.2656 0.3344 ( 672 PWs) bands (ev): -7.3899 -7.3899 3.7362 3.7362 6.1514 6.1514 6.3323 6.3323 10.6048 10.6048 10.7012 10.7012 11.0464 11.0464 12.5827 12.5827 12.8991 12.8991 18.1865 18.1865 21.5348 21.5348 24.7781 24.7781 k = 0.4574 0.2641 0.3431 ( 673 PWs) bands (ev): -7.3860 -7.3860 3.7678 3.7678 6.1332 6.1332 6.3386 6.3386 10.5930 10.5930 10.7020 10.7020 11.0419 11.0419 12.5298 12.5298 12.8770 12.8770 18.2877 18.2877 21.5081 21.5081 24.6616 24.6616 k = 0.4548 0.2626 0.3518 ( 671 PWs) bands (ev): -7.3819 -7.3819 3.8011 3.8011 6.1140 6.1140 6.3455 6.3455 10.5806 10.5806 10.7031 10.7031 11.0374 11.0374 12.4760 12.4760 12.8540 12.8540 18.3922 18.3922 21.4798 21.4798 24.5445 24.5445 k = 0.4521 0.2610 0.3605 ( 671 PWs) bands (ev): -7.3776 -7.3776 3.8362 3.8362 6.0936 6.0936 6.3526 6.3526 10.5675 10.5675 10.7042 10.7042 11.0330 11.0330 12.4217 12.4217 12.8298 12.8298 18.4996 18.4996 21.4500 21.4500 24.4273 24.4273 k = 0.4495 0.2595 0.3692 ( 671 PWs) bands (ev): -7.3732 -7.3732 3.8731 3.8731 6.0722 6.0722 6.3601 6.3601 10.5538 10.5538 10.7055 10.7055 11.0287 11.0287 12.3670 12.3670 12.8045 12.8045 18.6095 18.6095 21.4187 21.4187 24.3105 24.3105 k = 0.4468 0.2580 0.3778 ( 671 PWs) bands (ev): -7.3686 -7.3686 3.9117 3.9117 6.0496 6.0496 6.3679 6.3679 10.5396 10.5396 10.7069 10.7069 11.0246 11.0246 12.3121 12.3121 12.7783 12.7783 18.7215 18.7215 21.3861 21.3861 24.1948 24.1948 k = 0.4441 0.2564 0.3865 ( 671 PWs) bands (ev): -7.3639 -7.3639 3.9518 3.9518 6.0261 6.0261 6.3761 6.3761 10.5248 10.5248 10.7085 10.7085 11.0208 11.0208 12.2574 12.2574 12.7511 12.7511 18.8354 18.8354 21.3523 21.3523 24.0804 24.0804 k = 0.4415 0.2549 0.3952 ( 673 PWs) bands (ev): -7.3592 -7.3592 3.9936 3.9936 6.0015 6.0015 6.3846 6.3846 10.5093 10.5093 10.7101 10.7101 11.0171 11.0171 12.2028 12.2028 12.7230 12.7230 18.9506 18.9506 21.3173 21.3173 23.9678 23.9678 k = 0.4388 0.2534 0.4039 ( 673 PWs) bands (ev): -7.3543 -7.3543 4.0369 4.0369 5.9760 5.9760 6.3934 6.3934 10.4934 10.4934 10.7120 10.7120 11.0138 11.0138 12.1488 12.1488 12.6940 12.6940 19.0667 19.0667 21.2814 21.2814 23.8573 23.8573 k = 0.4362 0.2518 0.4126 ( 673 PWs) bands (ev): -7.3494 -7.3494 4.0817 4.0817 5.9495 5.9495 6.4026 6.4026 10.4769 10.4769 10.7140 10.7140 11.0108 11.0108 12.0953 12.0953 12.6642 12.6642 19.1832 19.1832 21.2448 21.2448 23.7492 23.7492 k = 0.4335 0.2503 0.4213 ( 676 PWs) bands (ev): -7.3445 -7.3445 4.1279 4.1279 5.9221 5.9221 6.4121 6.4121 10.4598 10.4598 10.7160 10.7160 11.0081 11.0081 12.0427 12.0427 12.6336 12.6336 19.2996 19.2996 21.2078 21.2078 23.6439 23.6439 k = 0.4309 0.2488 0.4300 ( 678 PWs) bands (ev): -7.3395 -7.3395 4.1754 4.1754 5.8939 5.8939 6.4218 6.4218 10.4423 10.4423 10.7183 10.7183 11.0059 11.0059 11.9909 11.9909 12.6022 12.6022 19.4153 19.4153 21.1708 21.1708 23.5414 23.5414 k = 0.4282 0.2472 0.4386 ( 678 PWs) bands (ev): -7.3345 -7.3345 4.2242 4.2242 5.8649 5.8649 6.4319 6.4319 10.4242 10.4242 10.7208 10.7208 11.0042 11.0042 11.9403 11.9403 12.5703 12.5703 19.5294 19.5294 21.1343 21.1343 23.4421 23.4421 k = 0.4255 0.2457 0.4473 ( 680 PWs) bands (ev): -7.3296 -7.3296 4.2743 4.2743 5.8351 5.8351 6.4423 6.4423 10.4056 10.4056 10.7234 10.7234 11.0029 11.0029 11.8909 11.8909 12.5376 12.5376 19.6410 19.6410 21.0994 21.0994 23.3461 23.3461 k = 0.4229 0.2441 0.4560 ( 680 PWs) bands (ev): -7.3247 -7.3247 4.3254 4.3254 5.8047 5.8047 6.4530 6.4530 10.3864 10.3864 10.7262 10.7262 11.0021 11.0021 11.8429 11.8429 12.5044 12.5044 19.7486 19.7486 21.0670 21.0670 23.2535 23.2535 k = 0.4202 0.2426 0.4647 ( 679 PWs) bands (ev): -7.3199 -7.3199 4.3776 4.3776 5.7736 5.7736 6.4640 6.4640 10.3668 10.3668 10.7293 10.7293 11.0018 11.0018 11.7963 11.7963 12.4707 12.4707 19.8506 19.8506 21.0389 21.0389 23.1645 23.1645 k = 0.4176 0.2411 0.4734 ( 675 PWs) bands (ev): -7.3152 -7.3152 4.4308 4.4308 5.7420 5.7420 6.4753 6.4753 10.3467 10.3467 10.7327 10.7327 11.0020 11.0020 11.7515 11.7515 12.4365 12.4365 19.9444 19.9444 21.0173 21.0173 23.0793 23.0793 k = 0.4149 0.2395 0.4821 ( 676 PWs) bands (ev): -7.3106 -7.3106 4.4848 4.4848 5.7099 5.7099 6.4868 6.4868 10.3259 10.3259 10.7361 10.7361 11.0026 11.0026 11.7084 11.7084 12.4017 12.4017 20.0268 20.0268 21.0053 21.0053 22.9977 22.9977 k = 0.4122 0.2380 0.4908 ( 678 PWs) bands (ev): -7.3061 -7.3061 4.5395 4.5395 5.6774 5.6774 6.4986 6.4986 10.3047 10.3047 10.7397 10.7397 11.0035 11.0035 11.6671 11.6671 12.3666 12.3666 20.0942 20.0942 21.0065 21.0065 22.9198 22.9198 k = 0.4096 0.2365 0.4995 ( 677 PWs) bands (ev): -7.3019 -7.3019 4.5949 4.5949 5.6447 5.6447 6.5107 6.5107 10.2830 10.2830 10.7435 10.7435 11.0050 11.0050 11.6280 11.6280 12.3311 12.3311 20.1431 20.1431 21.0244 21.0244 22.8457 22.8457 k = 0.4069 0.2349 0.5081 ( 677 PWs) bands (ev): -7.2978 -7.2978 4.6507 4.6507 5.6118 5.6118 6.5231 6.5231 10.2608 10.2608 10.7475 10.7475 11.0067 11.0067 11.5910 11.5910 12.2952 12.2952 20.1712 20.1712 21.0610 21.0610 22.7754 22.7754 k = 0.4043 0.2334 0.5168 ( 677 PWs) bands (ev): -7.2940 -7.2940 4.7069 4.7069 5.5790 5.5790 6.5357 6.5357 10.2381 10.2381 10.7516 10.7516 11.0087 11.0087 11.5563 11.5563 12.2590 12.2590 20.1792 20.1792 21.1157 21.1157 22.7088 22.7088 k = 0.4016 0.2319 0.5255 ( 677 PWs) bands (ev): -7.2904 -7.2904 4.7632 4.7632 5.5464 5.5464 6.5486 6.5486 10.2151 10.2151 10.7559 10.7559 11.0110 11.0110 11.5240 11.5240 12.2225 12.2225 20.1698 20.1698 21.1857 21.1857 22.6459 22.6459 k = 0.3989 0.2303 0.5342 ( 677 PWs) bands (ev): -7.2871 -7.2871 4.8193 4.8193 5.5144 5.5144 6.5617 6.5617 10.1917 10.1917 10.7603 10.7603 11.0132 11.0132 11.4942 11.4942 12.1859 12.1859 20.1465 20.1465 21.2675 21.2675 22.5866 22.5866 k = 0.3963 0.2288 0.5429 ( 677 PWs) bands (ev): -7.2841 -7.2841 4.8748 4.8748 5.4832 5.4832 6.5751 6.5751 10.1678 10.1678 10.7648 10.7648 11.0155 11.0155 11.4671 11.4671 12.1490 12.1490 20.1130 20.1130 21.3574 21.3574 22.5309 22.5309 k = 0.3936 0.2273 0.5516 ( 677 PWs) bands (ev): -7.2815 -7.2815 4.9291 4.9291 5.4536 5.4536 6.5887 6.5887 10.1435 10.1435 10.7695 10.7695 11.0178 11.0178 11.4429 11.4429 12.1120 12.1120 20.0720 20.0720 21.4526 21.4526 22.4787 22.4787 k = 0.3910 0.2257 0.5603 ( 675 PWs) bands (ev): -7.2792 -7.2792 4.9812 4.9812 5.4265 5.4265 6.6026 6.6026 10.1191 10.1191 10.7742 10.7742 11.0198 11.0198 11.4217 11.4217 12.0749 12.0749 20.0257 20.0257 21.5510 21.5510 22.4299 22.4299 k = 0.3883 0.2242 0.5689 ( 676 PWs) bands (ev): -7.2773 -7.2773 5.0295 5.0295 5.4036 5.4036 6.6167 6.6167 10.0942 10.0942 10.7789 10.7789 11.0215 11.0215 11.4034 11.4034 12.0375 12.0375 19.9756 19.9756 21.6510 21.6510 22.3845 22.3845 k = 0.3856 0.2226 0.5776 ( 676 PWs) bands (ev): -7.2759 -7.2759 5.0710 5.0710 5.3878 5.3878 6.6310 6.6310 10.0691 10.0691 10.7838 10.7838 11.0227 11.0227 11.3883 11.3883 12.0002 12.0002 19.9227 19.9227 21.7515 21.7515 22.3425 22.3425 k = 0.3830 0.2211 0.5863 ( 676 PWs) bands (ev): -7.2748 -7.2748 5.1015 5.1015 5.3834 5.3834 6.6456 6.6456 10.0437 10.0437 10.7887 10.7887 11.0235 11.0235 11.3763 11.3763 11.9629 11.9629 19.8681 19.8681 21.8515 21.8515 22.3038 22.3038 k = 0.3803 0.2196 0.5950 ( 676 PWs) bands (ev): -7.2743 -7.2743 5.1168 5.1168 5.3947 5.3947 6.6605 6.6605 10.0181 10.0181 10.7935 10.7935 11.0237 11.0237 11.3674 11.3674 11.9257 11.9257 19.8123 19.8123 21.9500 21.9500 22.2689 22.2689 k = 0.3777 0.2180 0.6037 ( 676 PWs) bands (ev): -7.2743 -7.2743 5.1163 5.1163 5.4220 5.4220 6.6755 6.6755 9.9924 9.9924 10.7984 10.7984 11.0235 11.0235 11.3616 11.3616 11.8885 11.8885 19.7558 19.7558 22.0453 22.0453 22.2389 22.2389 k = 0.3750 0.2165 0.6124 ( 682 PWs) bands (ev): -7.2748 -7.2748 5.1040 5.1040 5.4615 5.4615 6.6908 6.6908 9.9664 9.9664 10.8031 10.8031 11.0226 11.0226 11.3585 11.3585 11.8513 11.8513 19.6990 19.6990 22.1289 22.1289 22.2217 22.2217 k = 0.6250-0.0722 0.4082 ( 682 PWs) bands (ev): -7.2748 -7.2748 5.1040 5.1040 5.4615 5.4615 6.6908 6.6908 9.9664 9.9664 10.8031 10.8031 11.0226 11.0226 11.3585 11.3585 11.8513 11.8513 19.6990 19.6990 22.1289 22.1289 22.2217 22.2217 k = 0.6204-0.0802 0.4082 ( 678 PWs) bands (ev): -7.2764 -7.2764 5.0757 5.0757 5.5391 5.5391 6.7181 6.7181 9.9211 9.9211 10.8113 10.8113 11.0211 11.0211 11.3554 11.3554 11.7871 11.7871 19.6008 19.6008 22.2091 22.2091 22.2580 22.2580 k = 0.6157-0.0882 0.4082 ( 678 PWs) bands (ev): -7.2784 -7.2784 5.0484 5.0484 5.6186 5.6186 6.7461 6.7461 9.8751 9.8751 10.8189 10.8189 11.0194 11.0194 11.3517 11.3517 11.7227 11.7227 19.5042 19.5042 22.2111 22.2111 22.3716 22.3716 k = 0.6111-0.0962 0.4082 ( 678 PWs) bands (ev): -7.2808 -7.2808 5.0220 5.0220 5.6996 5.6996 6.7747 6.7747 9.8287 9.8287 10.8260 10.8260 11.0177 11.0177 11.3474 11.3474 11.6584 11.6584 19.4092 19.4092 22.2100 22.2100 22.4875 22.4875 k = 0.6065-0.1042 0.4082 ( 678 PWs) bands (ev): -7.2835 -7.2835 4.9967 4.9967 5.7821 5.7821 6.8039 6.8039 9.7818 9.7818 10.8326 10.8326 11.0159 11.0159 11.3426 11.3426 11.5947 11.5947 19.3160 19.3160 22.2091 22.2091 22.6018 22.6018 k = 0.6019-0.1123 0.4082 ( 678 PWs) bands (ev): -7.2865 -7.2865 4.9724 4.9724 5.8657 5.8657 6.8335 6.8335 9.7345 9.7345 10.8387 10.8387 11.0141 11.0141 11.3372 11.3372 11.5316 11.5316 19.2248 19.2248 22.2087 22.2087 22.7142 22.7142 k = 0.5972-0.1203 0.4082 ( 678 PWs) bands (ev): -7.2898 -7.2898 4.9491 4.9491 5.9503 5.9503 6.8634 6.8634 9.6869 9.6869 10.8442 10.8442 11.0121 11.0121 11.3313 11.3313 11.4694 11.4694 19.1358 19.1358 22.2086 22.2086 22.8244 22.8244 k = 0.5926-0.1283 0.4082 ( 678 PWs) bands (ev): -7.2932 -7.2932 4.9268 4.9268 6.0357 6.0357 6.8935 6.8935 9.6390 9.6390 10.8493 10.8493 11.0099 11.0099 11.3249 11.3249 11.4085 11.4085 19.0490 19.0490 22.2090 22.2090 22.9320 22.9320 k = 0.5880-0.1363 0.4082 ( 678 PWs) bands (ev): -7.2968 -7.2968 4.9056 4.9056 6.1216 6.1216 6.9237 6.9237 9.5909 9.5909 10.8538 10.8538 11.0075 11.0075 11.3173 11.3173 11.3499 11.3499 18.9647 18.9647 22.2098 22.2098 23.0370 23.0370 k = 0.5833-0.1443 0.4082 ( 678 PWs) bands (ev): -7.3005 -7.3005 4.8854 4.8854 6.2077 6.2077 6.9539 6.9539 9.5425 9.5425 10.8577 10.8577 11.0045 11.0045 11.2885 11.2885 11.3141 11.3141 18.8832 18.8832 22.2109 22.2109 23.1390 23.1390 k = 0.5787-0.1524 0.4082 ( 674 PWs) bands (ev): -7.3042 -7.3042 4.8663 4.8663 6.2937 6.2937 6.9839 6.9839 9.4944 9.4944 10.8612 10.8612 11.0006 11.0006 11.2349 11.2349 11.3055 11.3055 18.8045 18.8045 22.2122 22.2122 23.2378 23.2378 k = 0.5741-0.1604 0.4082 ( 674 PWs) bands (ev): -7.3079 -7.3079 4.8482 4.8482 6.3793 6.3793 7.0136 7.0136 9.4460 9.4460 10.8642 10.8642 10.9949 10.9949 11.1837 11.1837 11.2978 11.2978 18.7289 18.7289 22.2138 22.2138 23.3331 23.3331 k = 0.5694-0.1684 0.4082 ( 666 PWs) bands (ev): -7.3116 -7.3116 4.8312 4.8312 6.4644 6.4644 7.0428 7.0428 9.3977 9.3977 10.8667 10.8667 10.9861 10.9861 11.1379 11.1379 11.2901 11.2901 18.6566 18.6566 22.2156 22.2156 23.4247 23.4247 k = 0.5648-0.1764 0.4082 ( 666 PWs) bands (ev): -7.3153 -7.3153 4.8153 4.8153 6.5483 6.5483 7.0713 7.0713 9.3495 9.3495 10.8687 10.8687 10.9711 10.9711 11.1001 11.1001 11.2824 11.2824 18.5878 18.5878 22.2174 22.2174 23.5123 23.5123 k = 0.5602-0.1844 0.4082 ( 666 PWs) bands (ev): -7.3188 -7.3188 4.8004 4.8004 6.6307 6.6307 7.0990 7.0990 9.3016 9.3016 10.8701 10.8701 10.9478 10.9478 11.0732 11.0732 11.2748 11.2748 18.5228 18.5228 22.2193 22.2193 23.5956 23.5956 k = 0.5556-0.1925 0.4082 ( 666 PWs) bands (ev): -7.3223 -7.3223 4.7866 4.7866 6.7113 6.7113 7.1258 7.1258 9.2542 9.2542 10.8707 10.8707 10.9169 10.9169 11.0567 11.0567 11.2673 11.2673 18.4616 18.4616 22.2212 22.2212 23.6744 23.6744 k = 0.5509-0.2005 0.4082 ( 666 PWs) bands (ev): -7.3256 -7.3256 4.7739 4.7739 6.7896 6.7896 7.1514 7.1514 9.2076 9.2076 10.8679 10.8679 10.8849 10.8849 11.0474 11.0474 11.2599 11.2599 18.4045 18.4045 22.2231 22.2231 23.7483 23.7483 k = 0.5463-0.2085 0.4082 ( 666 PWs) bands (ev): -7.3286 -7.3286 4.7623 4.7623 6.8649 6.8649 7.1757 7.1757 9.1620 9.1620 10.8414 10.8414 10.8754 10.8754 11.0420 11.0420 11.2529 11.2529 18.3517 18.3517 22.2250 22.2250 23.8171 23.8171 k = 0.5417-0.2165 0.4082 ( 666 PWs) bands (ev): -7.3315 -7.3315 4.7518 4.7518 6.9368 6.9368 7.1985 7.1985 9.1178 9.1178 10.8069 10.8069 10.8748 10.8748 11.0388 11.0388 11.2462 11.2462 18.3033 18.3033 22.2268 22.2268 23.8804 23.8804 k = 0.5370-0.2245 0.4082 ( 666 PWs) bands (ev): -7.3341 -7.3341 4.7424 4.7424 7.0044 7.0044 7.2196 7.2196 9.0755 9.0755 10.7739 10.7739 10.8746 10.8746 11.0368 11.0368 11.2400 11.2400 18.2596 18.2596 22.2284 22.2284 23.9380 23.9380 k = 0.5324-0.2325 0.4082 ( 670 PWs) bands (ev): -7.3365 -7.3365 4.7341 4.7341 7.0670 7.0670 7.2390 7.2390 9.0355 9.0355 10.7434 10.7434 10.8744 10.8744 11.0354 11.0354 11.2343 11.2343 18.2206 18.2206 22.2300 22.2300 23.9896 23.9896 k = 0.5278-0.2406 0.4082 ( 670 PWs) bands (ev): -7.3386 -7.3386 4.7269 4.7269 7.1237 7.1237 7.2565 7.2565 8.9985 8.9985 10.7164 10.7164 10.8742 10.8742 11.0347 11.0347 11.2292 11.2292 18.1866 18.1866 22.2314 22.2314 24.0350 24.0350 k = 0.5231-0.2486 0.4082 ( 672 PWs) bands (ev): -7.3404 -7.3404 4.7208 4.7208 7.1733 7.1733 7.2723 7.2723 8.9650 8.9650 10.6930 10.6930 10.8740 10.8740 11.0342 11.0342 11.2247 11.2247 18.1575 18.1575 22.2326 22.2326 24.0738 24.0738 k = 0.5185-0.2566 0.4082 ( 678 PWs) bands (ev): -7.3419 -7.3419 4.7158 4.7158 7.2146 7.2146 7.2866 7.2866 8.9361 8.9361 10.6735 10.6735 10.8736 10.8736 11.0338 11.0338 11.2207 11.2207 18.1336 18.1336 22.2335 22.2335 24.1059 24.1059 k = 0.5139-0.2646 0.4082 ( 678 PWs) bands (ev): -7.3431 -7.3431 4.7119 4.7119 7.2460 7.2460 7.2997 7.2997 8.9126 8.9126 10.6582 10.6582 10.8734 10.8734 11.0337 11.0337 11.2178 11.2178 18.1150 18.1150 22.2343 22.2343 24.1311 24.1311 k = 0.5093-0.2726 0.4082 ( 686 PWs) bands (ev): -7.3439 -7.3439 4.7091 4.7091 7.2667 7.2667 7.3117 7.3117 8.8951 8.8951 10.6470 10.6470 10.8730 10.8730 11.0334 11.0334 11.2154 11.2154 18.1016 18.1016 22.2347 22.2347 24.1491 24.1491 k = 0.5046-0.2807 0.4082 ( 686 PWs) bands (ev): -7.3444 -7.3444 4.7074 4.7074 7.2776 7.2776 7.3207 7.3207 8.8843 8.8843 10.6403 10.6403 10.8729 10.8729 11.0333 11.0333 11.2141 11.2141 18.0935 18.0935 22.2351 22.2351 24.1600 24.1600 k = 0.5000-0.2887 0.4082 ( 692 PWs) bands (ev): -7.3446 -7.3446 4.7069 4.7069 7.2809 7.2809 7.3240 7.3240 8.8805 8.8805 10.6379 10.6379 10.8727 10.8727 11.0332 11.0332 11.2136 11.2136 18.0908 18.0908 22.2351 22.2351 24.1636 24.1636 Writing output data file NiO.save init_run : 3.80s CPU 12.91s WALL ( 1 calls) electrons : 109.39s CPU 113.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.20s CPU 1.29s WALL ( 1 calls) Called by electrons: c_bands : 109.35s CPU 112.83s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.65s WALL ( 1 calls) v_h : 0.00s CPU 0.06s WALL ( 1 calls) v_xc : 0.00s CPU 0.32s WALL ( 1 calls) newd : 0.17s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 499 calls) cegterg : 96.88s CPU 97.75s WALL ( 633 calls) Called by sum_band: Called by *egterg: h_psi : 43.95s CPU 48.32s WALL ( 10454 calls) s_psi : 2.49s CPU 3.44s WALL ( 10454 calls) g_psi : 0.01s CPU 0.06s WALL ( 9322 calls) cdiaghg : 36.80s CPU 35.41s WALL ( 9821 calls) cegterg:over : 8.50s CPU 6.93s WALL ( 9322 calls) cegterg:upda : 0.11s CPU 0.56s WALL ( 9322 calls) cegterg:last : 0.08s CPU 0.41s WALL ( 1886 calls) Called by h_psi: h_psi:vloc : 36.61s CPU 41.34s WALL ( 10454 calls) h_psi:vnl : 7.32s CPU 6.92s WALL ( 10454 calls) add_vuspsi : 0.83s CPU 2.19s WALL ( 10454 calls) General routines calbec : 6.47s CPU 4.62s WALL ( 10454 calls) fft : 0.20s CPU 0.84s WALL ( 19 calls) ffts : 0.01s CPU 0.10s WALL ( 4 calls) fftw : 35.47s CPU 39.62s WALL ( 573592 calls) interpolate : 0.11s CPU 0.21s WALL ( 4 calls) davcio : 0.02s CPU 0.41s WALL ( 998 calls) Parallel routines fft_scatter : 24.80s CPU 28.49s WALL ( 573615 calls) PWSCF : 2m21.17s CPU 3m22.20s WALL This run was terminated on: 14:47: 6 24May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=