Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:35: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CrO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 18 5 333 323 51 Max 20 19 6 337 331 56 Sum 685 673 199 12039 11791 1917 bravais-lattice index = 14 lattice parameter (alat) = 5.5588 a.u. unit-cell volume = 121.4553 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.558750 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) O 6.00 15.99940 O( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 500 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 2) = ( 0.0065790 -0.0037984 0.0053717), wk = 0.0020000 k( 3) = ( 0.0131579 -0.0075967 0.0107434), wk = 0.0020000 k( 4) = ( 0.0197368 -0.0113951 0.0161151), wk = 0.0020000 k( 5) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0020000 k( 6) = ( 0.0328947 -0.0189918 0.0268584), wk = 0.0020000 k( 7) = ( 0.0394737 -0.0227901 0.0322301), wk = 0.0020000 k( 8) = ( 0.0460526 -0.0265885 0.0376018), wk = 0.0020000 k( 9) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0020000 k( 10) = ( 0.0592105 -0.0341852 0.0483452), wk = 0.0020000 k( 11) = ( 0.0657895 -0.0379836 0.0537169), wk = 0.0020000 k( 12) = ( 0.0723684 -0.0417819 0.0590886), wk = 0.0020000 k( 13) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0020000 k( 14) = ( 0.0855263 -0.0493786 0.0698319), wk = 0.0020000 k( 15) = ( 0.0921053 -0.0531770 0.0752036), wk = 0.0020000 k( 16) = ( 0.0986842 -0.0569754 0.0805753), wk = 0.0020000 k( 17) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0020000 k( 18) = ( 0.1118421 -0.0645721 0.0913187), wk = 0.0020000 k( 19) = ( 0.1184210 -0.0683704 0.0966904), wk = 0.0020000 k( 20) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0020000 k( 21) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0020000 k( 22) = ( 0.1381579 -0.0797655 0.1128054), wk = 0.0020000 k( 23) = ( 0.1447368 -0.0835639 0.1181771), wk = 0.0020000 k( 24) = ( 0.1513158 -0.0873622 0.1235488), wk = 0.0020000 k( 25) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0020000 k( 26) = ( 0.1644737 -0.0949589 0.1342922), wk = 0.0020000 k( 27) = ( 0.1710526 -0.0987573 0.1396639), wk = 0.0020000 k( 28) = ( 0.1776316 -0.1025556 0.1450356), wk = 0.0020000 k( 29) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0020000 k( 30) = ( 0.1907895 -0.1101524 0.1557789), wk = 0.0020000 k( 31) = ( 0.1973684 -0.1139507 0.1611506), wk = 0.0020000 k( 32) = ( 0.2039474 -0.1177491 0.1665223), wk = 0.0020000 k( 33) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0020000 k( 34) = ( 0.2171053 -0.1253458 0.1772657), wk = 0.0020000 k( 35) = ( 0.2236842 -0.1291441 0.1826374), wk = 0.0020000 k( 36) = ( 0.2302632 -0.1329425 0.1880091), wk = 0.0020000 k( 37) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0020000 k( 38) = ( 0.2434210 -0.1405392 0.1987525), wk = 0.0020000 k( 39) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020000 k( 40) = ( 0.2565789 -0.1481359 0.2094958), wk = 0.0020000 k( 41) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0020000 k( 42) = ( 0.2697368 -0.1557326 0.2202392), wk = 0.0020000 k( 43) = ( 0.2763158 -0.1595310 0.2256109), wk = 0.0020000 k( 44) = ( 0.2828947 -0.1633294 0.2309826), wk = 0.0020000 k( 45) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0020000 k( 46) = ( 0.2960526 -0.1709261 0.2417260), wk = 0.0020000 k( 47) = ( 0.3026316 -0.1747244 0.2470977), wk = 0.0020000 k( 48) = ( 0.3092105 -0.1785228 0.2524693), wk = 0.0020000 k( 49) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0020000 k( 50) = ( 0.3223684 -0.1861195 0.2632127), wk = 0.0020000 k( 51) = ( 0.3289474 -0.1899179 0.2685844), wk = 0.0020000 k( 52) = ( 0.3355263 -0.1937162 0.2739561), wk = 0.0020000 k( 53) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0020000 k( 54) = ( 0.3486842 -0.2013129 0.2846995), wk = 0.0020000 k( 55) = ( 0.3552632 -0.2051113 0.2900712), wk = 0.0020000 k( 56) = ( 0.3618421 -0.2089096 0.2954428), wk = 0.0020000 k( 57) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0020000 k( 58) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0020000 k( 59) = ( 0.3815789 -0.2203047 0.3115579), wk = 0.0020000 k( 60) = ( 0.3881579 -0.2241031 0.3169296), wk = 0.0020000 k( 61) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0020000 k( 62) = ( 0.4013158 -0.2316998 0.3276730), wk = 0.0020000 k( 63) = ( 0.4078947 -0.2354981 0.3330447), wk = 0.0020000 k( 64) = ( 0.4144737 -0.2392965 0.3384163), wk = 0.0020000 k( 65) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0020000 k( 66) = ( 0.4276316 -0.2468932 0.3491597), wk = 0.0020000 k( 67) = ( 0.4342105 -0.2506916 0.3545314), wk = 0.0020000 k( 68) = ( 0.4407895 -0.2544899 0.3599031), wk = 0.0020000 k( 69) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0020000 k( 70) = ( 0.4539474 -0.2620866 0.3706465), wk = 0.0020000 k( 71) = ( 0.4605263 -0.2658850 0.3760182), wk = 0.0020000 k( 72) = ( 0.4671053 -0.2696833 0.3813898), wk = 0.0020000 k( 73) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0020000 k( 74) = ( 0.4802632 -0.2772801 0.3921332), wk = 0.0020000 k( 75) = ( 0.4868421 -0.2810784 0.3975049), wk = 0.0020000 k( 76) = ( 0.4934211 -0.2848768 0.4028766), wk = 0.0020000 k( 77) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020000 k( 78) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020000 k( 79) = ( 0.5000000 -0.2810784 0.4136200), wk = 0.0020000 k( 80) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0020000 k( 81) = ( 0.5000000 -0.2658850 0.4243634), wk = 0.0020000 k( 82) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0020000 k( 83) = ( 0.5000000 -0.2506916 0.4351067), wk = 0.0020000 k( 84) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0020000 k( 85) = ( 0.5000000 -0.2354981 0.4458501), wk = 0.0020000 k( 86) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0020000 k( 87) = ( 0.5000000 -0.2203047 0.4565935), wk = 0.0020000 k( 88) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0020000 k( 89) = ( 0.5000000 -0.2051113 0.4673369), wk = 0.0020000 k( 90) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0020000 k( 91) = ( 0.5000000 -0.1899178 0.4780802), wk = 0.0020000 k( 92) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0020000 k( 93) = ( 0.5000000 -0.1747244 0.4888236), wk = 0.0020000 k( 94) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0020000 k( 95) = ( 0.5000000 -0.1595310 0.4995670), wk = 0.0020000 k( 96) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0020000 k( 97) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0020000 k( 98) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0020000 k( 99) = ( 0.5000000 -0.1291441 0.5210537), wk = 0.0020000 k( 100) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0020000 k( 101) = ( 0.5000000 -0.1139507 0.5317971), wk = 0.0020000 k( 102) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0020000 k( 103) = ( 0.5000000 -0.0987573 0.5425405), wk = 0.0020000 k( 104) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0020000 k( 105) = ( 0.5000000 -0.0835639 0.5532839), wk = 0.0020000 k( 106) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0020000 k( 107) = ( 0.5000000 -0.0683704 0.5640272), wk = 0.0020000 k( 108) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0020000 k( 109) = ( 0.5000000 -0.0531770 0.5747706), wk = 0.0020000 k( 110) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0020000 k( 111) = ( 0.5000000 -0.0379836 0.5855140), wk = 0.0020000 k( 112) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0020000 k( 113) = ( 0.5000000 -0.0227901 0.5962574), wk = 0.0020000 k( 114) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0020000 k( 115) = ( 0.5000000 -0.0075967 0.6070007), wk = 0.0020000 k( 116) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020000 k( 117) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020000 k( 118) = ( 0.4953704 0.0080188 0.6123724), wk = 0.0020000 k( 119) = ( 0.4907407 0.0160375 0.6123724), wk = 0.0020000 k( 120) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0020000 k( 121) = ( 0.4814815 0.0320750 0.6123724), wk = 0.0020000 k( 122) = ( 0.4768519 0.0400938 0.6123724), wk = 0.0020000 k( 123) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0020000 k( 124) = ( 0.4675926 0.0561313 0.6123724), wk = 0.0020000 k( 125) = ( 0.4629630 0.0641500 0.6123724), wk = 0.0020000 k( 126) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0020000 k( 127) = ( 0.4537037 0.0801875 0.6123724), wk = 0.0020000 k( 128) = ( 0.4490741 0.0882063 0.6123724), wk = 0.0020000 k( 129) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0020000 k( 130) = ( 0.4398148 0.1042438 0.6123724), wk = 0.0020000 k( 131) = ( 0.4351852 0.1122625 0.6123724), wk = 0.0020000 k( 132) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0020000 k( 133) = ( 0.4259259 0.1283001 0.6123724), wk = 0.0020000 k( 134) = ( 0.4212963 0.1363188 0.6123724), wk = 0.0020000 k( 135) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0020000 k( 136) = ( 0.4120370 0.1523563 0.6123724), wk = 0.0020000 k( 137) = ( 0.4074074 0.1603751 0.6123724), wk = 0.0020000 k( 138) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0020000 k( 139) = ( 0.3981481 0.1764126 0.6123724), wk = 0.0020000 k( 140) = ( 0.3935185 0.1844313 0.6123724), wk = 0.0020000 k( 141) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0020000 k( 142) = ( 0.3842593 0.2004688 0.6123724), wk = 0.0020000 k( 143) = ( 0.3796296 0.2084876 0.6123724), wk = 0.0020000 k( 144) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020000 k( 145) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020000 k( 146) = ( 0.3703704 0.2138334 0.6048123), wk = 0.0020000 k( 147) = ( 0.3657407 0.2111605 0.5972521), wk = 0.0020000 k( 148) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0020000 k( 149) = ( 0.3564815 0.2058147 0.5821318), wk = 0.0020000 k( 150) = ( 0.3518519 0.2031418 0.5745717), wk = 0.0020000 k( 151) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0020000 k( 152) = ( 0.3425926 0.1977959 0.5594514), wk = 0.0020000 k( 153) = ( 0.3379630 0.1951230 0.5518912), wk = 0.0020000 k( 154) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0020000 k( 155) = ( 0.3287037 0.1897772 0.5367709), wk = 0.0020000 k( 156) = ( 0.3240741 0.1871043 0.5292108), wk = 0.0020000 k( 157) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0020000 k( 158) = ( 0.3148148 0.1817584 0.5140904), wk = 0.0020000 k( 159) = ( 0.3101852 0.1790855 0.5065303), wk = 0.0020000 k( 160) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0020000 k( 161) = ( 0.3009259 0.1737397 0.4914100), wk = 0.0020000 k( 162) = ( 0.2962963 0.1710667 0.4838498), wk = 0.0020000 k( 163) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0020000 k( 164) = ( 0.2870370 0.1657209 0.4687295), wk = 0.0020000 k( 165) = ( 0.2824074 0.1630480 0.4611694), wk = 0.0020000 k( 166) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0020000 k( 167) = ( 0.2731481 0.1577022 0.4460491), wk = 0.0020000 k( 168) = ( 0.2685185 0.1550292 0.4384889), wk = 0.0020000 k( 169) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0020000 k( 170) = ( 0.2592593 0.1496834 0.4233686), wk = 0.0020000 k( 171) = ( 0.2546296 0.1470105 0.4158084), wk = 0.0020000 k( 172) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0020000 k( 173) = ( 0.2453704 0.1416646 0.4006881), wk = 0.0020000 k( 174) = ( 0.2407407 0.1389917 0.3931280), wk = 0.0020000 k( 175) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0020000 k( 176) = ( 0.2314815 0.1336459 0.3780077), wk = 0.0020000 k( 177) = ( 0.2268518 0.1309730 0.3704475), wk = 0.0020000 k( 178) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0020000 k( 179) = ( 0.2175926 0.1256271 0.3553272), wk = 0.0020000 k( 180) = ( 0.2129630 0.1229542 0.3477671), wk = 0.0020000 k( 181) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0020000 k( 182) = ( 0.2037037 0.1176084 0.3326468), wk = 0.0020000 k( 183) = ( 0.1990741 0.1149355 0.3250866), wk = 0.0020000 k( 184) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0020000 k( 185) = ( 0.1898148 0.1095896 0.3099663), wk = 0.0020000 k( 186) = ( 0.1851852 0.1069167 0.3024061), wk = 0.0020000 k( 187) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0020000 k( 188) = ( 0.1759259 0.1015709 0.2872858), wk = 0.0020000 k( 189) = ( 0.1712963 0.0988980 0.2797257), wk = 0.0020000 k( 190) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0020000 k( 191) = ( 0.1620370 0.0935521 0.2646054), wk = 0.0020000 k( 192) = ( 0.1574074 0.0908792 0.2570452), wk = 0.0020000 k( 193) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0020000 k( 194) = ( 0.1481482 0.0855334 0.2419249), wk = 0.0020000 k( 195) = ( 0.1435185 0.0828605 0.2343648), wk = 0.0020000 k( 196) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0020000 k( 197) = ( 0.1342593 0.0775146 0.2192445), wk = 0.0020000 k( 198) = ( 0.1296296 0.0748417 0.2116843), wk = 0.0020000 k( 199) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0020000 k( 200) = ( 0.1203704 0.0694959 0.1965640), wk = 0.0020000 k( 201) = ( 0.1157407 0.0668229 0.1890038), wk = 0.0020000 k( 202) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0020000 k( 203) = ( 0.1064815 0.0614771 0.1738835), wk = 0.0020000 k( 204) = ( 0.1018518 0.0588042 0.1663234), wk = 0.0020000 k( 205) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0020000 k( 206) = ( 0.0925926 0.0534584 0.1512031), wk = 0.0020000 k( 207) = ( 0.0879630 0.0507854 0.1436429), wk = 0.0020000 k( 208) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0020000 k( 209) = ( 0.0787037 0.0454396 0.1285226), wk = 0.0020000 k( 210) = ( 0.0740741 0.0427667 0.1209625), wk = 0.0020000 k( 211) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0020000 k( 212) = ( 0.0648148 0.0374208 0.1058422), wk = 0.0020000 k( 213) = ( 0.0601852 0.0347479 0.0982820), wk = 0.0020000 k( 214) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0020000 k( 215) = ( 0.0509259 0.0294021 0.0831617), wk = 0.0020000 k( 216) = ( 0.0462963 0.0267292 0.0756015), wk = 0.0020000 k( 217) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0020000 k( 218) = ( 0.0370370 0.0213833 0.0604812), wk = 0.0020000 k( 219) = ( 0.0324074 0.0187104 0.0529211), wk = 0.0020000 k( 220) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0020000 k( 221) = ( 0.0231481 0.0133646 0.0378008), wk = 0.0020000 k( 222) = ( 0.0185185 0.0106917 0.0302406), wk = 0.0020000 k( 223) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0020000 k( 224) = ( 0.0092593 0.0053458 0.0151203), wk = 0.0020000 k( 225) = ( 0.0046296 0.0026729 0.0075602), wk = 0.0020000 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 228) = ( 0.0075758 0.0043739 0.0030928), wk = 0.0020000 k( 229) = ( 0.0151515 0.0087477 0.0061856), wk = 0.0020000 k( 230) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0020000 k( 231) = ( 0.0303030 0.0174955 0.0123712), wk = 0.0020000 k( 232) = ( 0.0378788 0.0218693 0.0154640), wk = 0.0020000 k( 233) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0020000 k( 234) = ( 0.0530303 0.0306171 0.0216495), wk = 0.0020000 k( 235) = ( 0.0606061 0.0349909 0.0247423), wk = 0.0020000 k( 236) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0020000 k( 237) = ( 0.0757576 0.0437387 0.0309279), wk = 0.0020000 k( 238) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0020000 k( 239) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0020000 k( 240) = ( 0.0984848 0.0568603 0.0402063), wk = 0.0020000 k( 241) = ( 0.1060606 0.0612341 0.0432991), wk = 0.0020000 k( 242) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0020000 k( 243) = ( 0.1212121 0.0699819 0.0494846), wk = 0.0020000 k( 244) = ( 0.1287879 0.0743557 0.0525774), wk = 0.0020000 k( 245) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0020000 k( 246) = ( 0.1439394 0.0831034 0.0587630), wk = 0.0020000 k( 247) = ( 0.1515151 0.0874773 0.0618558), wk = 0.0020000 k( 248) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0020000 k( 249) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0020000 k( 250) = ( 0.1742424 0.1005989 0.0711342), wk = 0.0020000 k( 251) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0020000 k( 252) = ( 0.1893939 0.1093466 0.0773198), wk = 0.0020000 k( 253) = ( 0.1969697 0.1137205 0.0804125), wk = 0.0020000 k( 254) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0020000 k( 255) = ( 0.2121212 0.1224682 0.0865981), wk = 0.0020000 k( 256) = ( 0.2196970 0.1268421 0.0896909), wk = 0.0020000 k( 257) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0020000 k( 258) = ( 0.2348485 0.1355898 0.0958765), wk = 0.0020000 k( 259) = ( 0.2424242 0.1399637 0.0989693), wk = 0.0020000 k( 260) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0020000 k( 261) = ( 0.2575758 0.1487114 0.1051549), wk = 0.0020000 k( 262) = ( 0.2651515 0.1530853 0.1082477), wk = 0.0020000 k( 263) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0020000 k( 264) = ( 0.2803030 0.1618330 0.1144332), wk = 0.0020000 k( 265) = ( 0.2878788 0.1662069 0.1175260), wk = 0.0020000 k( 266) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0020000 k( 267) = ( 0.3030303 0.1749546 0.1237116), wk = 0.0020000 k( 268) = ( 0.3106061 0.1793285 0.1268044), wk = 0.0020000 k( 269) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0020000 k( 270) = ( 0.3257576 0.1880762 0.1329900), wk = 0.0020000 k( 271) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0020000 k( 272) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0020000 k( 273) = ( 0.3484849 0.2011978 0.1422683), wk = 0.0020000 k( 274) = ( 0.3560606 0.2055717 0.1453611), wk = 0.0020000 k( 275) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0020000 k( 276) = ( 0.3712121 0.2143194 0.1515467), wk = 0.0020000 k( 277) = ( 0.3787879 0.2186933 0.1546395), wk = 0.0020000 k( 278) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0020000 k( 279) = ( 0.3939394 0.2274410 0.1608251), wk = 0.0020000 k( 280) = ( 0.4015151 0.2318149 0.1639179), wk = 0.0020000 k( 281) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0020000 k( 282) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0020000 k( 283) = ( 0.4242424 0.2449365 0.1731962), wk = 0.0020000 k( 284) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0020000 k( 285) = ( 0.4393939 0.2536842 0.1793818), wk = 0.0020000 k( 286) = ( 0.4469697 0.2580581 0.1824746), wk = 0.0020000 k( 287) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0020000 k( 288) = ( 0.4621212 0.2668058 0.1886602), wk = 0.0020000 k( 289) = ( 0.4696970 0.2711797 0.1917530), wk = 0.0020000 k( 290) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0020000 k( 291) = ( 0.4848485 0.2799274 0.1979386), wk = 0.0020000 k( 292) = ( 0.4924242 0.2843013 0.2010314), wk = 0.0020000 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020000 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020000 k( 295) = ( 0.5026596 0.2809976 0.2084672), wk = 0.0020000 k( 296) = ( 0.5053192 0.2733201 0.2128103), wk = 0.0020000 k( 297) = ( 0.5079787 0.2656425 0.2171533), wk = 0.0020000 k( 298) = ( 0.5106383 0.2579650 0.2214964), wk = 0.0020000 k( 299) = ( 0.5132979 0.2502875 0.2258395), wk = 0.0020000 k( 300) = ( 0.5159575 0.2426100 0.2301825), wk = 0.0020000 k( 301) = ( 0.5186170 0.2349324 0.2345256), wk = 0.0020000 k( 302) = ( 0.5212766 0.2272549 0.2388687), wk = 0.0020000 k( 303) = ( 0.5239362 0.2195774 0.2432117), wk = 0.0020000 k( 304) = ( 0.5265957 0.2118998 0.2475548), wk = 0.0020000 k( 305) = ( 0.5292553 0.2042223 0.2518979), wk = 0.0020000 k( 306) = ( 0.5319149 0.1965448 0.2562409), wk = 0.0020000 k( 307) = ( 0.5345745 0.1888672 0.2605840), wk = 0.0020000 k( 308) = ( 0.5372340 0.1811897 0.2649271), wk = 0.0020000 k( 309) = ( 0.5398936 0.1735122 0.2692701), wk = 0.0020000 k( 310) = ( 0.5425532 0.1658347 0.2736132), wk = 0.0020000 k( 311) = ( 0.5452128 0.1581571 0.2779563), wk = 0.0020000 k( 312) = ( 0.5478723 0.1504796 0.2822993), wk = 0.0020000 k( 313) = ( 0.5505319 0.1428021 0.2866424), wk = 0.0020000 k( 314) = ( 0.5531915 0.1351245 0.2909855), wk = 0.0020000 k( 315) = ( 0.5558511 0.1274470 0.2953285), wk = 0.0020000 k( 316) = ( 0.5585106 0.1197695 0.2996716), wk = 0.0020000 k( 317) = ( 0.5611702 0.1120919 0.3040147), wk = 0.0020000 k( 318) = ( 0.5638298 0.1044144 0.3083578), wk = 0.0020000 k( 319) = ( 0.5664894 0.0967369 0.3127008), wk = 0.0020000 k( 320) = ( 0.5691489 0.0890594 0.3170439), wk = 0.0020000 k( 321) = ( 0.5718085 0.0813818 0.3213870), wk = 0.0020000 k( 322) = ( 0.5744681 0.0737043 0.3257300), wk = 0.0020000 k( 323) = ( 0.5771277 0.0660268 0.3300731), wk = 0.0020000 k( 324) = ( 0.5797872 0.0583492 0.3344162), wk = 0.0020000 k( 325) = ( 0.5824468 0.0506717 0.3387592), wk = 0.0020000 k( 326) = ( 0.5851064 0.0429942 0.3431023), wk = 0.0020000 k( 327) = ( 0.5877660 0.0353166 0.3474454), wk = 0.0020000 k( 328) = ( 0.5904255 0.0276391 0.3517884), wk = 0.0020000 k( 329) = ( 0.5930851 0.0199616 0.3561315), wk = 0.0020000 k( 330) = ( 0.5957447 0.0122841 0.3604746), wk = 0.0020000 k( 331) = ( 0.5984043 0.0046065 0.3648176), wk = 0.0020000 k( 332) = ( 0.6010638 -0.0030710 0.3691607), wk = 0.0020000 k( 333) = ( 0.6037234 -0.0107485 0.3735038), wk = 0.0020000 k( 334) = ( 0.6063830 -0.0184261 0.3778468), wk = 0.0020000 k( 335) = ( 0.6090425 -0.0261036 0.3821899), wk = 0.0020000 k( 336) = ( 0.6117021 -0.0337811 0.3865330), wk = 0.0020000 k( 337) = ( 0.6143617 -0.0414587 0.3908760), wk = 0.0020000 k( 338) = ( 0.6170213 -0.0491362 0.3952191), wk = 0.0020000 k( 339) = ( 0.6196808 -0.0568137 0.3995622), wk = 0.0020000 k( 340) = ( 0.6223404 -0.0644913 0.4039052), wk = 0.0020000 k( 341) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020000 k( 342) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020000 k( 343) = ( 0.6203704 -0.0694959 0.4158084), wk = 0.0020000 k( 344) = ( 0.6157407 -0.0668229 0.4233686), wk = 0.0020000 k( 345) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0020000 k( 346) = ( 0.6064815 -0.0614771 0.4384889), wk = 0.0020000 k( 347) = ( 0.6018518 -0.0588042 0.4460491), wk = 0.0020000 k( 348) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0020000 k( 349) = ( 0.5925926 -0.0534584 0.4611694), wk = 0.0020000 k( 350) = ( 0.5879630 -0.0507854 0.4687295), wk = 0.0020000 k( 351) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0020000 k( 352) = ( 0.5787037 -0.0454396 0.4838498), wk = 0.0020000 k( 353) = ( 0.5740741 -0.0427667 0.4914100), wk = 0.0020000 k( 354) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0020000 k( 355) = ( 0.5648148 -0.0374208 0.5065303), wk = 0.0020000 k( 356) = ( 0.5601852 -0.0347479 0.5140904), wk = 0.0020000 k( 357) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0020000 k( 358) = ( 0.5509259 -0.0294021 0.5292107), wk = 0.0020000 k( 359) = ( 0.5462963 -0.0267292 0.5367709), wk = 0.0020000 k( 360) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0020000 k( 361) = ( 0.5370370 -0.0213833 0.5518912), wk = 0.0020000 k( 362) = ( 0.5324074 -0.0187104 0.5594514), wk = 0.0020000 k( 363) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0020000 k( 364) = ( 0.5231482 -0.0133646 0.5745717), wk = 0.0020000 k( 365) = ( 0.5185185 -0.0106917 0.5821318), wk = 0.0020000 k( 366) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0020000 k( 367) = ( 0.5092593 -0.0053458 0.5972521), wk = 0.0020000 k( 368) = ( 0.5046296 -0.0026729 0.6048123), wk = 0.0020000 k( 369) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020000 k( 370) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020000 k( 371) = ( 0.5000000 0.0053458 0.6048123), wk = 0.0020000 k( 372) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0020000 k( 373) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0020000 k( 374) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0020000 k( 375) = ( 0.5000000 0.0267292 0.5745717), wk = 0.0020000 k( 376) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0020000 k( 377) = ( 0.5000000 0.0374209 0.5594514), wk = 0.0020000 k( 378) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0020000 k( 379) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0020000 k( 380) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0020000 k( 381) = ( 0.5000000 0.0588042 0.5292107), wk = 0.0020000 k( 382) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0020000 k( 383) = ( 0.5000000 0.0694959 0.5140904), wk = 0.0020000 k( 384) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0020000 k( 385) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0020000 k( 386) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0020000 k( 387) = ( 0.5000000 0.0908792 0.4838498), wk = 0.0020000 k( 388) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0020000 k( 389) = ( 0.5000000 0.1015709 0.4687295), wk = 0.0020000 k( 390) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0020000 k( 391) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0020000 k( 392) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0020000 k( 393) = ( 0.5000000 0.1229542 0.4384889), wk = 0.0020000 k( 394) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0020000 k( 395) = ( 0.5000000 0.1336459 0.4233686), wk = 0.0020000 k( 396) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0020000 k( 397) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0020000 k( 398) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0020000 k( 399) = ( 0.5000000 0.1550292 0.3931280), wk = 0.0020000 k( 400) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0020000 k( 401) = ( 0.5000000 0.1657209 0.3780077), wk = 0.0020000 k( 402) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0020000 k( 403) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0020000 k( 404) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0020000 k( 405) = ( 0.5000000 0.1871043 0.3477671), wk = 0.0020000 k( 406) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0020000 k( 407) = ( 0.5000000 0.1977959 0.3326467), wk = 0.0020000 k( 408) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0020000 k( 409) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0020000 k( 410) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0020000 k( 411) = ( 0.5000000 0.2191793 0.3024061), wk = 0.0020000 k( 412) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0020000 k( 413) = ( 0.5000000 0.2298709 0.2872858), wk = 0.0020000 k( 414) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0020000 k( 415) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0020000 k( 416) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0020000 k( 417) = ( 0.5000000 0.2512543 0.2570452), wk = 0.0020000 k( 418) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0020000 k( 419) = ( 0.5000000 0.2619460 0.2419249), wk = 0.0020000 k( 420) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0020000 k( 421) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0020000 k( 422) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0020000 k( 423) = ( 0.5000000 0.2833293 0.2116843), wk = 0.0020000 k( 424) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020000 k( 425) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020000 k( 426) = ( 0.4973404 0.2871396 0.2128103), wk = 0.0020000 k( 427) = ( 0.4946809 0.2856041 0.2214964), wk = 0.0020000 k( 428) = ( 0.4920213 0.2840686 0.2301825), wk = 0.0020000 k( 429) = ( 0.4893617 0.2825331 0.2388687), wk = 0.0020000 k( 430) = ( 0.4867021 0.2809976 0.2475548), wk = 0.0020000 k( 431) = ( 0.4840426 0.2794621 0.2562409), wk = 0.0020000 k( 432) = ( 0.4813830 0.2779266 0.2649271), wk = 0.0020000 k( 433) = ( 0.4787234 0.2763911 0.2736132), wk = 0.0020000 k( 434) = ( 0.4760638 0.2748556 0.2822993), wk = 0.0020000 k( 435) = ( 0.4734043 0.2733201 0.2909855), wk = 0.0020000 k( 436) = ( 0.4707447 0.2717846 0.2996716), wk = 0.0020000 k( 437) = ( 0.4680851 0.2702491 0.3083578), wk = 0.0020000 k( 438) = ( 0.4654255 0.2687136 0.3170439), wk = 0.0020000 k( 439) = ( 0.4627660 0.2671781 0.3257300), wk = 0.0020000 k( 440) = ( 0.4601064 0.2656425 0.3344162), wk = 0.0020000 k( 441) = ( 0.4574468 0.2641070 0.3431023), wk = 0.0020000 k( 442) = ( 0.4547872 0.2625715 0.3517884), wk = 0.0020000 k( 443) = ( 0.4521277 0.2610360 0.3604746), wk = 0.0020000 k( 444) = ( 0.4494681 0.2595005 0.3691607), wk = 0.0020000 k( 445) = ( 0.4468085 0.2579650 0.3778468), wk = 0.0020000 k( 446) = ( 0.4441489 0.2564295 0.3865330), wk = 0.0020000 k( 447) = ( 0.4414894 0.2548940 0.3952191), wk = 0.0020000 k( 448) = ( 0.4388298 0.2533585 0.4039052), wk = 0.0020000 k( 449) = ( 0.4361702 0.2518230 0.4125914), wk = 0.0020000 k( 450) = ( 0.4335106 0.2502875 0.4212775), wk = 0.0020000 k( 451) = ( 0.4308511 0.2487520 0.4299636), wk = 0.0020000 k( 452) = ( 0.4281915 0.2472165 0.4386498), wk = 0.0020000 k( 453) = ( 0.4255319 0.2456810 0.4473359), wk = 0.0020000 k( 454) = ( 0.4228723 0.2441455 0.4560220), wk = 0.0020000 k( 455) = ( 0.4202128 0.2426100 0.4647082), wk = 0.0020000 k( 456) = ( 0.4175532 0.2410744 0.4733943), wk = 0.0020000 k( 457) = ( 0.4148936 0.2395389 0.4820804), wk = 0.0020000 k( 458) = ( 0.4122340 0.2380034 0.4907666), wk = 0.0020000 k( 459) = ( 0.4095745 0.2364679 0.4994527), wk = 0.0020000 k( 460) = ( 0.4069149 0.2349324 0.5081388), wk = 0.0020000 k( 461) = ( 0.4042553 0.2333969 0.5168250), wk = 0.0020000 k( 462) = ( 0.4015957 0.2318614 0.5255111), wk = 0.0020000 k( 463) = ( 0.3989362 0.2303259 0.5341972), wk = 0.0020000 k( 464) = ( 0.3962766 0.2287904 0.5428834), wk = 0.0020000 k( 465) = ( 0.3936170 0.2272549 0.5515695), wk = 0.0020000 k( 466) = ( 0.3909574 0.2257194 0.5602556), wk = 0.0020000 k( 467) = ( 0.3882979 0.2241839 0.5689418), wk = 0.0020000 k( 468) = ( 0.3856383 0.2226484 0.5776279), wk = 0.0020000 k( 469) = ( 0.3829787 0.2211129 0.5863140), wk = 0.0020000 k( 470) = ( 0.3803191 0.2195774 0.5950002), wk = 0.0020000 k( 471) = ( 0.3776596 0.2180419 0.6036863), wk = 0.0020000 k( 472) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020000 k( 473) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020000 k( 474) = ( 0.6203704 -0.0801875 0.4082483), wk = 0.0020000 k( 475) = ( 0.6157407 -0.0882063 0.4082483), wk = 0.0020000 k( 476) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0020000 k( 477) = ( 0.6064815 -0.1042438 0.4082483), wk = 0.0020000 k( 478) = ( 0.6018518 -0.1122626 0.4082483), wk = 0.0020000 k( 479) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0020000 k( 480) = ( 0.5925926 -0.1283001 0.4082483), wk = 0.0020000 k( 481) = ( 0.5879630 -0.1363188 0.4082483), wk = 0.0020000 k( 482) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0020000 k( 483) = ( 0.5787037 -0.1523563 0.4082483), wk = 0.0020000 k( 484) = ( 0.5740741 -0.1603751 0.4082483), wk = 0.0020000 k( 485) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0020000 k( 486) = ( 0.5648148 -0.1764126 0.4082483), wk = 0.0020000 k( 487) = ( 0.5601852 -0.1844313 0.4082483), wk = 0.0020000 k( 488) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0020000 k( 489) = ( 0.5509259 -0.2004688 0.4082483), wk = 0.0020000 k( 490) = ( 0.5462963 -0.2084876 0.4082483), wk = 0.0020000 k( 491) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0020000 k( 492) = ( 0.5370370 -0.2245251 0.4082483), wk = 0.0020000 k( 493) = ( 0.5324074 -0.2325439 0.4082483), wk = 0.0020000 k( 494) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0020000 k( 495) = ( 0.5231482 -0.2485814 0.4082483), wk = 0.0020000 k( 496) = ( 0.5185185 -0.2566001 0.4082483), wk = 0.0020000 k( 497) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0020000 k( 498) = ( 0.5092593 -0.2726376 0.4082483), wk = 0.0020000 k( 499) = ( 0.5046296 -0.2806564 0.4082483), wk = 0.0020000 k( 500) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 2) = ( 0.0065790 0.0000000 0.0065790), wk = 0.0020000 k( 3) = ( 0.0131579 -0.0000000 0.0131579), wk = 0.0020000 k( 4) = ( 0.0197368 -0.0000000 0.0197368), wk = 0.0020000 k( 5) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0020000 k( 6) = ( 0.0328947 -0.0000000 0.0328947), wk = 0.0020000 k( 7) = ( 0.0394737 -0.0000000 0.0394737), wk = 0.0020000 k( 8) = ( 0.0460526 -0.0000000 0.0460526), wk = 0.0020000 k( 9) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0020000 k( 10) = ( 0.0592105 0.0000000 0.0592105), wk = 0.0020000 k( 11) = ( 0.0657895 -0.0000000 0.0657895), wk = 0.0020000 k( 12) = ( 0.0723684 0.0000000 0.0723684), wk = 0.0020000 k( 13) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0020000 k( 14) = ( 0.0855263 0.0000000 0.0855263), wk = 0.0020000 k( 15) = ( 0.0921053 -0.0000000 0.0921053), wk = 0.0020000 k( 16) = ( 0.0986842 -0.0000000 0.0986842), wk = 0.0020000 k( 17) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0020000 k( 18) = ( 0.1118421 0.0000000 0.1118421), wk = 0.0020000 k( 19) = ( 0.1184210 0.0000000 0.1184210), wk = 0.0020000 k( 20) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0020000 k( 21) = ( 0.1315790 -0.0000000 0.1315790), wk = 0.0020000 k( 22) = ( 0.1381579 -0.0000000 0.1381579), wk = 0.0020000 k( 23) = ( 0.1447368 0.0000000 0.1447368), wk = 0.0020000 k( 24) = ( 0.1513158 0.0000000 0.1513158), wk = 0.0020000 k( 25) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0020000 k( 26) = ( 0.1644737 0.0000000 0.1644737), wk = 0.0020000 k( 27) = ( 0.1710526 0.0000000 0.1710526), wk = 0.0020000 k( 28) = ( 0.1776316 -0.0000000 0.1776316), wk = 0.0020000 k( 29) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0020000 k( 30) = ( 0.1907895 0.0000000 0.1907895), wk = 0.0020000 k( 31) = ( 0.1973684 -0.0000000 0.1973684), wk = 0.0020000 k( 32) = ( 0.2039474 -0.0000000 0.2039474), wk = 0.0020000 k( 33) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0020000 k( 34) = ( 0.2171053 0.0000000 0.2171053), wk = 0.0020000 k( 35) = ( 0.2236842 -0.0000000 0.2236842), wk = 0.0020000 k( 36) = ( 0.2302632 -0.0000000 0.2302632), wk = 0.0020000 k( 37) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0020000 k( 38) = ( 0.2434210 0.0000000 0.2434210), wk = 0.0020000 k( 39) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020000 k( 40) = ( 0.2565789 0.0000000 0.2565789), wk = 0.0020000 k( 41) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0020000 k( 42) = ( 0.2697368 -0.0000000 0.2697368), wk = 0.0020000 k( 43) = ( 0.2763158 0.0000000 0.2763158), wk = 0.0020000 k( 44) = ( 0.2828947 0.0000000 0.2828947), wk = 0.0020000 k( 45) = ( 0.2894737 0.0000000 0.2894737), wk = 0.0020000 k( 46) = ( 0.2960526 -0.0000000 0.2960526), wk = 0.0020000 k( 47) = ( 0.3026316 0.0000000 0.3026316), wk = 0.0020000 k( 48) = ( 0.3092105 0.0000000 0.3092105), wk = 0.0020000 k( 49) = ( 0.3157895 0.0000000 0.3157895), wk = 0.0020000 k( 50) = ( 0.3223684 -0.0000000 0.3223684), wk = 0.0020000 k( 51) = ( 0.3289474 0.0000000 0.3289474), wk = 0.0020000 k( 52) = ( 0.3355263 0.0000000 0.3355263), wk = 0.0020000 k( 53) = ( 0.3421053 0.0000000 0.3421053), wk = 0.0020000 k( 54) = ( 0.3486842 -0.0000000 0.3486842), wk = 0.0020000 k( 55) = ( 0.3552632 -0.0000000 0.3552632), wk = 0.0020000 k( 56) = ( 0.3618421 0.0000000 0.3618421), wk = 0.0020000 k( 57) = ( 0.3684211 0.0000000 0.3684211), wk = 0.0020000 k( 58) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0020000 k( 59) = ( 0.3815789 -0.0000000 0.3815789), wk = 0.0020000 k( 60) = ( 0.3881579 -0.0000000 0.3881579), wk = 0.0020000 k( 61) = ( 0.3947368 -0.0000000 0.3947368), wk = 0.0020000 k( 62) = ( 0.4013158 0.0000000 0.4013158), wk = 0.0020000 k( 63) = ( 0.4078947 -0.0000000 0.4078947), wk = 0.0020000 k( 64) = ( 0.4144737 -0.0000000 0.4144737), wk = 0.0020000 k( 65) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0020000 k( 66) = ( 0.4276316 0.0000000 0.4276316), wk = 0.0020000 k( 67) = ( 0.4342105 0.0000000 0.4342105), wk = 0.0020000 k( 68) = ( 0.4407895 0.0000000 0.4407895), wk = 0.0020000 k( 69) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0020000 k( 70) = ( 0.4539474 0.0000000 0.4539474), wk = 0.0020000 k( 71) = ( 0.4605263 -0.0000000 0.4605263), wk = 0.0020000 k( 72) = ( 0.4671053 -0.0000000 0.4671053), wk = 0.0020000 k( 73) = ( 0.4736842 -0.0000000 0.4736842), wk = 0.0020000 k( 74) = ( 0.4802632 -0.0000000 0.4802632), wk = 0.0020000 k( 75) = ( 0.4868421 0.0000000 0.4868421), wk = 0.0020000 k( 76) = ( 0.4934211 0.0000000 0.4934211), wk = 0.0020000 k( 77) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 78) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 79) = ( 0.5000000 0.0065790 0.5065789), wk = 0.0020000 k( 80) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0020000 k( 81) = ( 0.5000000 0.0197368 0.5197368), wk = 0.0020000 k( 82) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0020000 k( 83) = ( 0.5000000 0.0328947 0.5328947), wk = 0.0020000 k( 84) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0020000 k( 85) = ( 0.5000000 0.0460526 0.5460526), wk = 0.0020000 k( 86) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0020000 k( 87) = ( 0.5000000 0.0592105 0.5592105), wk = 0.0020000 k( 88) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0020000 k( 89) = ( 0.5000000 0.0723684 0.5723684), wk = 0.0020000 k( 90) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0020000 k( 91) = ( 0.5000000 0.0855263 0.5855263), wk = 0.0020000 k( 92) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0020000 k( 93) = ( 0.5000000 0.0986842 0.5986842), wk = 0.0020000 k( 94) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0020000 k( 95) = ( 0.5000000 0.1118421 0.6118421), wk = 0.0020000 k( 96) = ( 0.5000000 0.1184210 0.6184211), wk = 0.0020000 k( 97) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0020000 k( 98) = ( 0.5000000 0.1315790 0.6315789), wk = 0.0020000 k( 99) = ( 0.5000000 0.1381579 0.6381579), wk = 0.0020000 k( 100) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0020000 k( 101) = ( 0.5000000 0.1513158 0.6513158), wk = 0.0020000 k( 102) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0020000 k( 103) = ( 0.5000000 0.1644737 0.6644737), wk = 0.0020000 k( 104) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0020000 k( 105) = ( 0.5000000 0.1776316 0.6776316), wk = 0.0020000 k( 106) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0020000 k( 107) = ( 0.5000000 0.1907895 0.6907895), wk = 0.0020000 k( 108) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0020000 k( 109) = ( 0.5000000 0.2039474 0.7039474), wk = 0.0020000 k( 110) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0020000 k( 111) = ( 0.5000000 0.2171053 0.7171053), wk = 0.0020000 k( 112) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0020000 k( 113) = ( 0.5000000 0.2302632 0.7302632), wk = 0.0020000 k( 114) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0020000 k( 115) = ( 0.5000000 0.2434210 0.7434211), wk = 0.0020000 k( 116) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020000 k( 117) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020000 k( 118) = ( 0.4953704 0.2546296 0.7500000), wk = 0.0020000 k( 119) = ( 0.4907407 0.2592593 0.7500000), wk = 0.0020000 k( 120) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0020000 k( 121) = ( 0.4814815 0.2685185 0.7500000), wk = 0.0020000 k( 122) = ( 0.4768519 0.2731481 0.7500000), wk = 0.0020000 k( 123) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0020000 k( 124) = ( 0.4675926 0.2824074 0.7500000), wk = 0.0020000 k( 125) = ( 0.4629630 0.2870370 0.7500000), wk = 0.0020000 k( 126) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0020000 k( 127) = ( 0.4537037 0.2962963 0.7500000), wk = 0.0020000 k( 128) = ( 0.4490741 0.3009259 0.7500000), wk = 0.0020000 k( 129) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0020000 k( 130) = ( 0.4398148 0.3101852 0.7500000), wk = 0.0020000 k( 131) = ( 0.4351852 0.3148148 0.7500000), wk = 0.0020000 k( 132) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0020000 k( 133) = ( 0.4259259 0.3240741 0.7500000), wk = 0.0020000 k( 134) = ( 0.4212963 0.3287037 0.7500000), wk = 0.0020000 k( 135) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0020000 k( 136) = ( 0.4120370 0.3379630 0.7500000), wk = 0.0020000 k( 137) = ( 0.4074074 0.3425926 0.7500000), wk = 0.0020000 k( 138) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0020000 k( 139) = ( 0.3981481 0.3518519 0.7500000), wk = 0.0020000 k( 140) = ( 0.3935185 0.3564815 0.7500000), wk = 0.0020000 k( 141) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0020000 k( 142) = ( 0.3842593 0.3657407 0.7500000), wk = 0.0020000 k( 143) = ( 0.3796296 0.3703704 0.7500000), wk = 0.0020000 k( 144) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020000 k( 145) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020000 k( 146) = ( 0.3703704 0.3703704 0.7407407), wk = 0.0020000 k( 147) = ( 0.3657407 0.3657407 0.7314815), wk = 0.0020000 k( 148) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0020000 k( 149) = ( 0.3564815 0.3564815 0.7129630), wk = 0.0020000 k( 150) = ( 0.3518519 0.3518519 0.7037037), wk = 0.0020000 k( 151) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0020000 k( 152) = ( 0.3425926 0.3425926 0.6851852), wk = 0.0020000 k( 153) = ( 0.3379630 0.3379630 0.6759259), wk = 0.0020000 k( 154) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0020000 k( 155) = ( 0.3287037 0.3287037 0.6574074), wk = 0.0020000 k( 156) = ( 0.3240741 0.3240741 0.6481482), wk = 0.0020000 k( 157) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0020000 k( 158) = ( 0.3148148 0.3148148 0.6296296), wk = 0.0020000 k( 159) = ( 0.3101852 0.3101852 0.6203704), wk = 0.0020000 k( 160) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0020000 k( 161) = ( 0.3009259 0.3009259 0.6018518), wk = 0.0020000 k( 162) = ( 0.2962963 0.2962963 0.5925926), wk = 0.0020000 k( 163) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0020000 k( 164) = ( 0.2870370 0.2870370 0.5740741), wk = 0.0020000 k( 165) = ( 0.2824074 0.2824074 0.5648148), wk = 0.0020000 k( 166) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0020000 k( 167) = ( 0.2731481 0.2731481 0.5462963), wk = 0.0020000 k( 168) = ( 0.2685185 0.2685185 0.5370370), wk = 0.0020000 k( 169) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0020000 k( 170) = ( 0.2592593 0.2592593 0.5185185), wk = 0.0020000 k( 171) = ( 0.2546296 0.2546296 0.5092593), wk = 0.0020000 k( 172) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020000 k( 173) = ( 0.2453704 0.2453704 0.4907407), wk = 0.0020000 k( 174) = ( 0.2407407 0.2407407 0.4814815), wk = 0.0020000 k( 175) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0020000 k( 176) = ( 0.2314815 0.2314815 0.4629630), wk = 0.0020000 k( 177) = ( 0.2268518 0.2268518 0.4537037), wk = 0.0020000 k( 178) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0020000 k( 179) = ( 0.2175926 0.2175926 0.4351852), wk = 0.0020000 k( 180) = ( 0.2129630 0.2129630 0.4259259), wk = 0.0020000 k( 181) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0020000 k( 182) = ( 0.2037037 0.2037037 0.4074074), wk = 0.0020000 k( 183) = ( 0.1990741 0.1990741 0.3981481), wk = 0.0020000 k( 184) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0020000 k( 185) = ( 0.1898148 0.1898148 0.3796296), wk = 0.0020000 k( 186) = ( 0.1851852 0.1851852 0.3703704), wk = 0.0020000 k( 187) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0020000 k( 188) = ( 0.1759259 0.1759259 0.3518519), wk = 0.0020000 k( 189) = ( 0.1712963 0.1712963 0.3425926), wk = 0.0020000 k( 190) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0020000 k( 191) = ( 0.1620370 0.1620370 0.3240741), wk = 0.0020000 k( 192) = ( 0.1574074 0.1574074 0.3148148), wk = 0.0020000 k( 193) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0020000 k( 194) = ( 0.1481482 0.1481482 0.2962963), wk = 0.0020000 k( 195) = ( 0.1435185 0.1435185 0.2870370), wk = 0.0020000 k( 196) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0020000 k( 197) = ( 0.1342593 0.1342593 0.2685185), wk = 0.0020000 k( 198) = ( 0.1296296 0.1296296 0.2592593), wk = 0.0020000 k( 199) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0020000 k( 200) = ( 0.1203704 0.1203704 0.2407407), wk = 0.0020000 k( 201) = ( 0.1157407 0.1157407 0.2314815), wk = 0.0020000 k( 202) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0020000 k( 203) = ( 0.1064815 0.1064815 0.2129630), wk = 0.0020000 k( 204) = ( 0.1018518 0.1018518 0.2037037), wk = 0.0020000 k( 205) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0020000 k( 206) = ( 0.0925926 0.0925926 0.1851852), wk = 0.0020000 k( 207) = ( 0.0879630 0.0879630 0.1759259), wk = 0.0020000 k( 208) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0020000 k( 209) = ( 0.0787037 0.0787037 0.1574074), wk = 0.0020000 k( 210) = ( 0.0740741 0.0740741 0.1481482), wk = 0.0020000 k( 211) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0020000 k( 212) = ( 0.0648148 0.0648148 0.1296296), wk = 0.0020000 k( 213) = ( 0.0601852 0.0601852 0.1203704), wk = 0.0020000 k( 214) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0020000 k( 215) = ( 0.0509259 0.0509259 0.1018519), wk = 0.0020000 k( 216) = ( 0.0462963 0.0462963 0.0925926), wk = 0.0020000 k( 217) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0020000 k( 218) = ( 0.0370370 0.0370370 0.0740741), wk = 0.0020000 k( 219) = ( 0.0324074 0.0324074 0.0648148), wk = 0.0020000 k( 220) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0020000 k( 221) = ( 0.0231481 0.0231481 0.0462963), wk = 0.0020000 k( 222) = ( 0.0185185 0.0185185 0.0370370), wk = 0.0020000 k( 223) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0020000 k( 224) = ( 0.0092593 0.0092593 0.0185185), wk = 0.0020000 k( 225) = ( 0.0046296 0.0046296 0.0092593), wk = 0.0020000 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 228) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0020000 k( 229) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0020000 k( 230) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0020000 k( 231) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0020000 k( 232) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0020000 k( 233) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0020000 k( 234) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0020000 k( 235) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0020000 k( 236) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0020000 k( 237) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0020000 k( 238) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0020000 k( 239) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0020000 k( 240) = ( 0.0984848 0.0984849 0.0984848), wk = 0.0020000 k( 241) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0020000 k( 242) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0020000 k( 243) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0020000 k( 244) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0020000 k( 245) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0020000 k( 246) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0020000 k( 247) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0020000 k( 248) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0020000 k( 249) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0020000 k( 250) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0020000 k( 251) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0020000 k( 252) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0020000 k( 253) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0020000 k( 254) = ( 0.2045454 0.2045455 0.2045454), wk = 0.0020000 k( 255) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0020000 k( 256) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0020000 k( 257) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0020000 k( 258) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0020000 k( 259) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0020000 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020000 k( 261) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0020000 k( 262) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0020000 k( 263) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0020000 k( 264) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0020000 k( 265) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0020000 k( 266) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0020000 k( 267) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0020000 k( 268) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0020000 k( 269) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0020000 k( 270) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0020000 k( 271) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020000 k( 272) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0020000 k( 273) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0020000 k( 274) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0020000 k( 275) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0020000 k( 276) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0020000 k( 277) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0020000 k( 278) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0020000 k( 279) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0020000 k( 280) = ( 0.4015151 0.4015152 0.4015151), wk = 0.0020000 k( 281) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0020000 k( 282) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0020000 k( 283) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0020000 k( 284) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0020000 k( 285) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0020000 k( 286) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0020000 k( 287) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0020000 k( 288) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0020000 k( 289) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0020000 k( 290) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0020000 k( 291) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0020000 k( 292) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0020000 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 295) = ( 0.5026596 0.4946809 0.5026596), wk = 0.0020000 k( 296) = ( 0.5053192 0.4893617 0.5053192), wk = 0.0020000 k( 297) = ( 0.5079787 0.4840426 0.5079787), wk = 0.0020000 k( 298) = ( 0.5106383 0.4787234 0.5106383), wk = 0.0020000 k( 299) = ( 0.5132979 0.4734043 0.5132979), wk = 0.0020000 k( 300) = ( 0.5159575 0.4680851 0.5159575), wk = 0.0020000 k( 301) = ( 0.5186170 0.4627660 0.5186170), wk = 0.0020000 k( 302) = ( 0.5212766 0.4574468 0.5212766), wk = 0.0020000 k( 303) = ( 0.5239362 0.4521277 0.5239362), wk = 0.0020000 k( 304) = ( 0.5265957 0.4468085 0.5265957), wk = 0.0020000 k( 305) = ( 0.5292553 0.4414894 0.5292553), wk = 0.0020000 k( 306) = ( 0.5319149 0.4361702 0.5319149), wk = 0.0020000 k( 307) = ( 0.5345745 0.4308511 0.5345745), wk = 0.0020000 k( 308) = ( 0.5372340 0.4255319 0.5372340), wk = 0.0020000 k( 309) = ( 0.5398936 0.4202128 0.5398936), wk = 0.0020000 k( 310) = ( 0.5425532 0.4148936 0.5425532), wk = 0.0020000 k( 311) = ( 0.5452128 0.4095745 0.5452128), wk = 0.0020000 k( 312) = ( 0.5478723 0.4042553 0.5478723), wk = 0.0020000 k( 313) = ( 0.5505319 0.3989362 0.5505319), wk = 0.0020000 k( 314) = ( 0.5531915 0.3936170 0.5531915), wk = 0.0020000 k( 315) = ( 0.5558511 0.3882979 0.5558511), wk = 0.0020000 k( 316) = ( 0.5585106 0.3829787 0.5585106), wk = 0.0020000 k( 317) = ( 0.5611702 0.3776596 0.5611702), wk = 0.0020000 k( 318) = ( 0.5638298 0.3723404 0.5638298), wk = 0.0020000 k( 319) = ( 0.5664894 0.3670213 0.5664894), wk = 0.0020000 k( 320) = ( 0.5691489 0.3617021 0.5691489), wk = 0.0020000 k( 321) = ( 0.5718085 0.3563830 0.5718085), wk = 0.0020000 k( 322) = ( 0.5744681 0.3510638 0.5744681), wk = 0.0020000 k( 323) = ( 0.5771277 0.3457447 0.5771277), wk = 0.0020000 k( 324) = ( 0.5797872 0.3404255 0.5797872), wk = 0.0020000 k( 325) = ( 0.5824468 0.3351064 0.5824468), wk = 0.0020000 k( 326) = ( 0.5851064 0.3297872 0.5851064), wk = 0.0020000 k( 327) = ( 0.5877660 0.3244681 0.5877660), wk = 0.0020000 k( 328) = ( 0.5904255 0.3191489 0.5904255), wk = 0.0020000 k( 329) = ( 0.5930851 0.3138298 0.5930851), wk = 0.0020000 k( 330) = ( 0.5957447 0.3085106 0.5957447), wk = 0.0020000 k( 331) = ( 0.5984043 0.3031915 0.5984043), wk = 0.0020000 k( 332) = ( 0.6010638 0.2978723 0.6010638), wk = 0.0020000 k( 333) = ( 0.6037234 0.2925532 0.6037234), wk = 0.0020000 k( 334) = ( 0.6063830 0.2872340 0.6063830), wk = 0.0020000 k( 335) = ( 0.6090425 0.2819149 0.6090425), wk = 0.0020000 k( 336) = ( 0.6117021 0.2765957 0.6117021), wk = 0.0020000 k( 337) = ( 0.6143617 0.2712766 0.6143617), wk = 0.0020000 k( 338) = ( 0.6170213 0.2659574 0.6170213), wk = 0.0020000 k( 339) = ( 0.6196808 0.2606383 0.6196808), wk = 0.0020000 k( 340) = ( 0.6223404 0.2553191 0.6223404), wk = 0.0020000 k( 341) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020000 k( 342) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020000 k( 343) = ( 0.6203704 0.2500000 0.6296296), wk = 0.0020000 k( 344) = ( 0.6157407 0.2500000 0.6342593), wk = 0.0020000 k( 345) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0020000 k( 346) = ( 0.6064815 0.2500000 0.6435185), wk = 0.0020000 k( 347) = ( 0.6018518 0.2500000 0.6481482), wk = 0.0020000 k( 348) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0020000 k( 349) = ( 0.5925926 0.2500000 0.6574074), wk = 0.0020000 k( 350) = ( 0.5879630 0.2500000 0.6620370), wk = 0.0020000 k( 351) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0020000 k( 352) = ( 0.5787037 0.2500000 0.6712963), wk = 0.0020000 k( 353) = ( 0.5740741 0.2500000 0.6759259), wk = 0.0020000 k( 354) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0020000 k( 355) = ( 0.5648148 0.2500000 0.6851852), wk = 0.0020000 k( 356) = ( 0.5601852 0.2500000 0.6898148), wk = 0.0020000 k( 357) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0020000 k( 358) = ( 0.5509259 0.2500000 0.6990741), wk = 0.0020000 k( 359) = ( 0.5462963 0.2500000 0.7037037), wk = 0.0020000 k( 360) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0020000 k( 361) = ( 0.5370370 0.2500000 0.7129630), wk = 0.0020000 k( 362) = ( 0.5324074 0.2500000 0.7175926), wk = 0.0020000 k( 363) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0020000 k( 364) = ( 0.5231482 0.2500000 0.7268519), wk = 0.0020000 k( 365) = ( 0.5185185 0.2500000 0.7314815), wk = 0.0020000 k( 366) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0020000 k( 367) = ( 0.5092593 0.2500000 0.7407407), wk = 0.0020000 k( 368) = ( 0.5046296 0.2500000 0.7453704), wk = 0.0020000 k( 369) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020000 k( 370) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020000 k( 371) = ( 0.5000000 0.2546296 0.7453704), wk = 0.0020000 k( 372) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0020000 k( 373) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0020000 k( 374) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0020000 k( 375) = ( 0.5000000 0.2731481 0.7268518), wk = 0.0020000 k( 376) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0020000 k( 377) = ( 0.5000000 0.2824074 0.7175926), wk = 0.0020000 k( 378) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0020000 k( 379) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0020000 k( 380) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0020000 k( 381) = ( 0.5000000 0.3009259 0.6990741), wk = 0.0020000 k( 382) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0020000 k( 383) = ( 0.5000000 0.3101852 0.6898148), wk = 0.0020000 k( 384) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0020000 k( 385) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0020000 k( 386) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0020000 k( 387) = ( 0.5000000 0.3287037 0.6712963), wk = 0.0020000 k( 388) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0020000 k( 389) = ( 0.5000000 0.3379630 0.6620370), wk = 0.0020000 k( 390) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0020000 k( 391) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0020000 k( 392) = ( 0.5000000 0.3518519 0.6481482), wk = 0.0020000 k( 393) = ( 0.5000000 0.3564815 0.6435185), wk = 0.0020000 k( 394) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0020000 k( 395) = ( 0.5000000 0.3657407 0.6342593), wk = 0.0020000 k( 396) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0020000 k( 397) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0020000 k( 398) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0020000 k( 399) = ( 0.5000000 0.3842593 0.6157407), wk = 0.0020000 k( 400) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0020000 k( 401) = ( 0.5000000 0.3935185 0.6064815), wk = 0.0020000 k( 402) = ( 0.5000000 0.3981482 0.6018518), wk = 0.0020000 k( 403) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0020000 k( 404) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0020000 k( 405) = ( 0.5000000 0.4120370 0.5879630), wk = 0.0020000 k( 406) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0020000 k( 407) = ( 0.5000000 0.4212963 0.5787037), wk = 0.0020000 k( 408) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0020000 k( 409) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0020000 k( 410) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0020000 k( 411) = ( 0.5000000 0.4398148 0.5601852), wk = 0.0020000 k( 412) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0020000 k( 413) = ( 0.5000000 0.4490741 0.5509259), wk = 0.0020000 k( 414) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0020000 k( 415) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0020000 k( 416) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0020000 k( 417) = ( 0.5000000 0.4675926 0.5324074), wk = 0.0020000 k( 418) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0020000 k( 419) = ( 0.5000000 0.4768518 0.5231482), wk = 0.0020000 k( 420) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0020000 k( 421) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0020000 k( 422) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0020000 k( 423) = ( 0.5000000 0.4953704 0.5046296), wk = 0.0020000 k( 424) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 425) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 426) = ( 0.4973404 0.4973404 0.5053192), wk = 0.0020000 k( 427) = ( 0.4946809 0.4946809 0.5106383), wk = 0.0020000 k( 428) = ( 0.4920213 0.4920213 0.5159575), wk = 0.0020000 k( 429) = ( 0.4893617 0.4893617 0.5212766), wk = 0.0020000 k( 430) = ( 0.4867021 0.4867021 0.5265957), wk = 0.0020000 k( 431) = ( 0.4840426 0.4840426 0.5319149), wk = 0.0020000 k( 432) = ( 0.4813830 0.4813830 0.5372340), wk = 0.0020000 k( 433) = ( 0.4787234 0.4787234 0.5425532), wk = 0.0020000 k( 434) = ( 0.4760638 0.4760638 0.5478723), wk = 0.0020000 k( 435) = ( 0.4734043 0.4734043 0.5531915), wk = 0.0020000 k( 436) = ( 0.4707447 0.4707447 0.5585106), wk = 0.0020000 k( 437) = ( 0.4680851 0.4680851 0.5638298), wk = 0.0020000 k( 438) = ( 0.4654255 0.4654255 0.5691489), wk = 0.0020000 k( 439) = ( 0.4627660 0.4627660 0.5744681), wk = 0.0020000 k( 440) = ( 0.4601064 0.4601064 0.5797872), wk = 0.0020000 k( 441) = ( 0.4574468 0.4574468 0.5851064), wk = 0.0020000 k( 442) = ( 0.4547872 0.4547872 0.5904255), wk = 0.0020000 k( 443) = ( 0.4521277 0.4521277 0.5957447), wk = 0.0020000 k( 444) = ( 0.4494681 0.4494681 0.6010638), wk = 0.0020000 k( 445) = ( 0.4468085 0.4468085 0.6063830), wk = 0.0020000 k( 446) = ( 0.4441489 0.4441489 0.6117021), wk = 0.0020000 k( 447) = ( 0.4414894 0.4414894 0.6170213), wk = 0.0020000 k( 448) = ( 0.4388298 0.4388298 0.6223404), wk = 0.0020000 k( 449) = ( 0.4361702 0.4361702 0.6276596), wk = 0.0020000 k( 450) = ( 0.4335106 0.4335106 0.6329787), wk = 0.0020000 k( 451) = ( 0.4308511 0.4308511 0.6382979), wk = 0.0020000 k( 452) = ( 0.4281915 0.4281915 0.6436170), wk = 0.0020000 k( 453) = ( 0.4255319 0.4255319 0.6489362), wk = 0.0020000 k( 454) = ( 0.4228723 0.4228723 0.6542553), wk = 0.0020000 k( 455) = ( 0.4202128 0.4202128 0.6595745), wk = 0.0020000 k( 456) = ( 0.4175532 0.4175532 0.6648936), wk = 0.0020000 k( 457) = ( 0.4148936 0.4148936 0.6702128), wk = 0.0020000 k( 458) = ( 0.4122340 0.4122340 0.6755319), wk = 0.0020000 k( 459) = ( 0.4095745 0.4095745 0.6808511), wk = 0.0020000 k( 460) = ( 0.4069149 0.4069149 0.6861702), wk = 0.0020000 k( 461) = ( 0.4042553 0.4042553 0.6914894), wk = 0.0020000 k( 462) = ( 0.4015957 0.4015957 0.6968085), wk = 0.0020000 k( 463) = ( 0.3989362 0.3989362 0.7021277), wk = 0.0020000 k( 464) = ( 0.3962766 0.3962766 0.7074468), wk = 0.0020000 k( 465) = ( 0.3936170 0.3936170 0.7127660), wk = 0.0020000 k( 466) = ( 0.3909574 0.3909574 0.7180851), wk = 0.0020000 k( 467) = ( 0.3882979 0.3882979 0.7234043), wk = 0.0020000 k( 468) = ( 0.3856383 0.3856383 0.7287234), wk = 0.0020000 k( 469) = ( 0.3829787 0.3829787 0.7340425), wk = 0.0020000 k( 470) = ( 0.3803191 0.3803191 0.7393617), wk = 0.0020000 k( 471) = ( 0.3776596 0.3776596 0.7446808), wk = 0.0020000 k( 472) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020000 k( 473) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020000 k( 474) = ( 0.6203704 0.2407407 0.6203704), wk = 0.0020000 k( 475) = ( 0.6157407 0.2314815 0.6157407), wk = 0.0020000 k( 476) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0020000 k( 477) = ( 0.6064815 0.2129630 0.6064815), wk = 0.0020000 k( 478) = ( 0.6018518 0.2037037 0.6018518), wk = 0.0020000 k( 479) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0020000 k( 480) = ( 0.5925926 0.1851852 0.5925926), wk = 0.0020000 k( 481) = ( 0.5879630 0.1759259 0.5879630), wk = 0.0020000 k( 482) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0020000 k( 483) = ( 0.5787037 0.1574074 0.5787037), wk = 0.0020000 k( 484) = ( 0.5740741 0.1481482 0.5740741), wk = 0.0020000 k( 485) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0020000 k( 486) = ( 0.5648148 0.1296296 0.5648148), wk = 0.0020000 k( 487) = ( 0.5601852 0.1203704 0.5601852), wk = 0.0020000 k( 488) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0020000 k( 489) = ( 0.5509259 0.1018518 0.5509259), wk = 0.0020000 k( 490) = ( 0.5462963 0.0925926 0.5462963), wk = 0.0020000 k( 491) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0020000 k( 492) = ( 0.5370370 0.0740741 0.5370370), wk = 0.0020000 k( 493) = ( 0.5324074 0.0648148 0.5324074), wk = 0.0020000 k( 494) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0020000 k( 495) = ( 0.5231482 0.0462963 0.5231482), wk = 0.0020000 k( 496) = ( 0.5185185 0.0370370 0.5185185), wk = 0.0020000 k( 497) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0020000 k( 498) = ( 0.5092593 0.0185185 0.5092593), wk = 0.0020000 k( 499) = ( 0.5046296 0.0092593 0.5046296), wk = 0.0020000 k( 500) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 Dense grid: 12039 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 11791 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 86, 28) NL pseudopotentials 0.03 Mb ( 43, 48) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 337) G-vector shells 0.00 Mb ( 123) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 86, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.04 Mb ( 48, 2, 28) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./CrO.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.6 secs Computing kpt #: 12 total cpu time spent up to now is 2.6 secs Computing kpt #: 13 total cpu time spent up to now is 2.7 secs Computing kpt #: 14 total cpu time spent up to now is 2.8 secs Computing kpt #: 15 total cpu time spent up to now is 2.8 secs Computing kpt #: 16 total cpu time spent up to now is 2.9 secs Computing kpt #: 17 total cpu time spent up to now is 3.0 secs Computing kpt #: 18 total cpu time spent up to now is 3.0 secs Computing kpt #: 19 total cpu time spent up to now is 3.1 secs Computing kpt #: 20 total cpu time spent up to now is 3.2 secs Computing kpt #: 21 total cpu time spent up to now is 3.2 secs Computing kpt #: 22 total cpu time spent up to now is 3.3 secs Computing kpt #: 23 total cpu time spent up to now is 3.4 secs Computing kpt #: 24 total cpu time spent up to now is 3.4 secs Computing kpt #: 25 total cpu time spent up to now is 3.5 secs Computing kpt #: 26 total cpu time spent up to now is 3.6 secs Computing kpt #: 27 total cpu time spent up to now is 3.7 secs Computing kpt #: 28 total cpu time spent up to now is 3.7 secs Computing kpt #: 29 total cpu time spent up to now is 3.8 secs Computing kpt #: 30 total cpu time spent up to now is 3.9 secs Computing kpt #: 31 total cpu time spent up to now is 3.9 secs Computing kpt #: 32 total cpu time spent up to now is 4.0 secs Computing kpt #: 33 total cpu time spent up to now is 4.1 secs Computing kpt #: 34 total cpu time spent up to now is 4.1 secs Computing kpt #: 35 total cpu time spent up to now is 4.2 secs Computing kpt #: 36 total cpu time spent up to now is 4.3 secs Computing kpt #: 37 total cpu time spent up to now is 4.3 secs Computing kpt #: 38 total cpu time spent up to now is 4.4 secs Computing kpt #: 39 total cpu time spent up to now is 4.5 secs Computing kpt #: 40 total cpu time spent up to now is 4.6 secs Computing kpt #: 41 total cpu time spent up to now is 4.6 secs Computing kpt #: 42 total cpu time spent up to now is 4.7 secs Computing kpt #: 43 total cpu time spent up to now is 4.8 secs Computing kpt #: 44 total cpu time spent up to now is 4.8 secs Computing kpt #: 45 total cpu time spent up to now is 4.9 secs Computing kpt #: 46 total cpu time spent up to now is 5.0 secs Computing kpt #: 47 total cpu time spent up to now is 5.0 secs Computing kpt #: 48 total cpu time spent up to now is 5.1 secs Computing kpt #: 49 total cpu time spent up to now is 5.2 secs Computing kpt #: 50 total cpu time spent up to now is 5.3 secs Computing kpt #: 51 total cpu time spent up to now is 5.3 secs Computing kpt #: 52 total cpu time spent up to now is 5.4 secs Computing kpt #: 53 total cpu time spent up to now is 5.5 secs Computing kpt #: 54 total cpu time spent up to now is 5.6 secs Computing kpt #: 55 total cpu time spent up to now is 5.6 secs Computing kpt #: 56 total cpu time spent up to now is 5.7 secs Computing kpt #: 57 total cpu time spent up to now is 5.8 secs Computing kpt #: 58 total cpu time spent up to now is 5.9 secs Computing kpt #: 59 total cpu time spent up to now is 6.0 secs Computing kpt #: 60 total cpu time spent up to now is 6.0 secs Computing kpt #: 61 total cpu time spent up to now is 6.1 secs Computing kpt #: 62 total cpu time spent up to now is 6.2 secs Computing kpt #: 63 total cpu time spent up to now is 6.3 secs Computing kpt #: 64 total cpu time spent up to now is 6.4 secs Computing kpt #: 65 total cpu time spent up to now is 6.4 secs Computing kpt #: 66 total cpu time spent up to now is 6.5 secs Computing kpt #: 67 total cpu time spent up to now is 6.6 secs Computing kpt #: 68 total cpu time spent up to now is 6.7 secs Computing kpt #: 69 total cpu time spent up to now is 6.8 secs Computing kpt #: 70 total cpu time spent up to now is 6.9 secs Computing kpt #: 71 total cpu time spent up to now is 7.0 secs Computing kpt #: 72 total cpu time spent up to now is 7.1 secs Computing kpt #: 73 total cpu time spent up to now is 7.2 secs Computing kpt #: 74 total cpu time spent up to now is 7.3 secs Computing kpt #: 75 total cpu time spent up to now is 7.4 secs Computing kpt #: 76 total cpu time spent up to 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spent up to now is 8.9 secs Computing kpt #: 93 total cpu time spent up to now is 9.0 secs Computing kpt #: 94 total cpu time spent up to now is 9.1 secs Computing kpt #: 95 total cpu time spent up to now is 9.2 secs Computing kpt #: 96 total cpu time spent up to now is 9.3 secs Computing kpt #: 97 total cpu time spent up to now is 9.5 secs Computing kpt #: 98 total cpu time spent up to now is 9.6 secs Computing kpt #: 99 total cpu time spent up to now is 9.8 secs Computing kpt #: 100 total cpu time spent up to now is 10.0 secs Computing kpt #: 101 total cpu time spent up to now is 10.2 secs Computing kpt #: 102 total cpu time spent up to now is 10.3 secs Computing kpt #: 103 total cpu time spent up to now is 10.5 secs Computing kpt #: 104 total cpu time spent up to now is 10.7 secs Computing kpt #: 105 total cpu time spent up to now is 10.8 secs Computing kpt #: 106 total cpu time spent up to now is 11.0 secs Computing kpt #: 107 total cpu time spent up to now is 11.2 secs Computing kpt #: 108 total cpu time spent up to now is 11.3 secs Computing kpt #: 109 total cpu time spent up to now is 11.5 secs Computing kpt #: 110 total cpu time spent up to now is 11.6 secs Computing kpt #: 111 total cpu time spent up to now is 11.7 secs Computing kpt #: 112 total cpu time spent up to now is 11.8 secs Computing kpt #: 113 total cpu time spent up to now is 12.0 secs Computing kpt #: 114 total cpu time spent up to now is 12.1 secs Computing kpt #: 115 total cpu time spent up to now is 12.3 secs Computing kpt #: 116 total cpu time spent up to now is 12.4 secs Computing kpt #: 117 total cpu time spent up to now is 12.6 secs Computing kpt #: 118 total cpu time spent up to now is 12.8 secs Computing kpt #: 119 total cpu time spent up to now is 13.0 secs Computing kpt #: 120 total cpu time spent up to now is 13.2 secs Computing kpt #: 121 total cpu time spent up to now is 13.3 secs Computing kpt #: 122 total cpu time spent up to now is 13.5 secs Computing kpt #: 123 total cpu time spent up to now is 13.7 secs Computing kpt #: 124 total cpu time spent up to now is 13.9 secs Computing kpt #: 125 total cpu time spent up to now is 14.0 secs Computing kpt #: 126 total cpu time spent up to now is 14.1 secs Computing kpt #: 127 total cpu time spent up to now is 14.3 secs Computing kpt #: 128 total cpu time spent up to now is 14.4 secs Computing kpt #: 129 total cpu time spent up to now is 14.6 secs Computing kpt #: 130 total cpu time spent up to now is 14.7 secs Computing kpt #: 131 total cpu time spent up to now is 14.9 secs Computing kpt #: 132 total cpu time spent up to now is 15.0 secs Computing kpt #: 133 total cpu time spent up to now is 15.2 secs Computing kpt #: 134 total cpu time spent up to now is 15.4 secs Computing kpt #: 135 total cpu time spent up to now is 15.5 secs Computing kpt #: 136 total cpu time spent up to now is 15.7 secs Computing kpt #: 137 total cpu time spent up to now is 15.8 secs Computing kpt #: 138 total cpu time spent up to now is 16.0 secs Computing kpt #: 139 total cpu time spent up to now is 16.2 secs Computing kpt #: 140 total cpu time spent up to now is 16.3 secs Computing kpt #: 141 total cpu time spent up to now is 16.5 secs Computing kpt #: 142 total cpu time spent up to now is 16.7 secs Computing kpt #: 143 total cpu time spent up to now is 16.9 secs Computing kpt #: 144 total cpu time spent up to now is 17.0 secs Computing kpt #: 145 total cpu time spent up to now is 17.2 secs Computing kpt #: 146 total cpu time spent up to now is 17.3 secs Computing kpt #: 147 total cpu time spent up to now is 17.5 secs Computing kpt #: 148 total cpu time spent up to now is 17.6 secs Computing kpt #: 149 total cpu time spent up to now is 17.8 secs Computing kpt #: 150 total cpu time spent up to now is 18.0 secs Computing kpt #: 151 total cpu time spent up to now is 18.1 secs Computing kpt #: 152 total cpu time spent up to now is 18.3 secs Computing kpt #: 153 total cpu time spent up to now is 18.4 secs Computing kpt #: 154 total cpu time spent up to now is 18.6 secs Computing kpt #: 155 total cpu time spent up to now is 18.7 secs Computing kpt #: 156 total cpu time spent up to now is 18.8 secs Computing kpt #: 157 total cpu time spent up to now is 18.9 secs Computing kpt #: 158 total cpu time spent up to now is 19.0 secs Computing kpt #: 159 total cpu time spent up to now is 19.0 secs Computing kpt #: 160 total cpu time spent up to now is 19.1 secs Computing kpt #: 161 total cpu time spent up to now is 19.2 secs Computing kpt #: 162 total cpu time spent up to now is 19.3 secs Computing kpt #: 163 total cpu time spent up to now is 19.4 secs Computing kpt #: 164 total cpu time spent up to now is 19.5 secs Computing kpt #: 165 total cpu time spent up to now is 19.5 secs Computing kpt #: 166 total cpu time spent up to now is 19.6 secs Computing kpt #: 167 total cpu time spent up to now is 19.7 secs Computing kpt #: 168 total cpu time spent up to now is 19.8 secs Computing kpt #: 169 total cpu time spent up to now is 19.9 secs Computing kpt #: 170 total cpu time spent up to now is 19.9 secs Computing kpt #: 171 total cpu time spent up to now is 20.0 secs Computing kpt #: 172 total cpu time spent up to now is 20.1 secs Computing kpt #: 173 total cpu time spent up to now is 20.2 secs Computing kpt #: 174 total cpu time spent up to now is 20.3 secs Computing kpt #: 175 total cpu time spent up to now is 20.3 secs Computing kpt #: 176 total cpu time spent up to now is 20.4 secs Computing kpt #: 177 total cpu time spent up to now is 20.5 secs Computing kpt #: 178 total cpu time spent up to now is 20.6 secs Computing kpt #: 179 total cpu time spent up to now is 20.6 secs Computing kpt #: 180 total cpu time spent up to now is 20.7 secs Computing kpt #: 181 total cpu time spent up to now is 20.8 secs Computing kpt #: 182 total cpu time spent up to now is 20.9 secs Computing kpt #: 183 total cpu time spent up to now is 20.9 secs Computing kpt #: 184 total cpu time spent up to now is 21.0 secs Computing kpt #: 185 total cpu time spent up to now is 21.1 secs Computing kpt #: 186 total cpu time spent up to now is 21.2 secs Computing kpt #: 187 total cpu time spent up to now is 21.2 secs Computing kpt #: 188 total cpu time spent up to now is 21.3 secs Computing kpt #: 189 total cpu time spent up to now is 21.4 secs Computing kpt #: 190 total cpu time spent up to now is 21.5 secs Computing kpt #: 191 total cpu time spent up to now is 21.5 secs Computing kpt #: 192 total cpu time spent up to now is 21.6 secs Computing kpt #: 193 total cpu time spent up to now is 21.7 secs Computing kpt #: 194 total cpu time spent up to now is 21.7 secs Computing kpt #: 195 total cpu time spent up to now is 21.8 secs Computing kpt #: 196 total cpu time spent up to now is 21.9 secs Computing kpt #: 197 total cpu time spent up to now is 21.9 secs Computing kpt #: 198 total cpu time spent up to now is 22.0 secs Computing kpt #: 199 total cpu time spent up to now is 22.1 secs Computing kpt #: 200 total cpu time spent up to now is 22.1 secs Computing kpt #: 201 total cpu time spent up to now is 22.2 secs Computing kpt #: 202 total cpu time spent up to now is 22.3 secs Computing kpt #: 203 total cpu time spent up to now is 22.4 secs Computing kpt #: 204 total cpu time spent up to now is 22.4 secs Computing kpt #: 205 total cpu time spent up to now is 22.5 secs Computing kpt #: 206 total cpu time spent up to now is 22.6 secs Computing kpt #: 207 total cpu time spent up to now is 22.6 secs Computing kpt #: 208 total cpu time spent up to now is 22.7 secs Computing kpt #: 209 total cpu time spent up to now is 22.8 secs Computing kpt #: 210 total cpu time spent up to now is 22.8 secs Computing kpt #: 211 total cpu time spent up to now is 22.9 secs Computing kpt #: 212 total cpu time spent up to now is 23.0 secs Computing kpt #: 213 total cpu time spent up to now is 23.0 secs Computing kpt #: 214 total cpu time spent up to now is 23.1 secs Computing kpt #: 215 total cpu time spent up to now is 23.2 secs Computing kpt #: 216 total cpu time spent up to now is 23.2 secs Computing kpt #: 217 total cpu time spent up to now is 23.3 secs Computing kpt #: 218 total cpu time spent up to now is 23.4 secs Computing kpt #: 219 total cpu time spent up to now is 23.4 secs Computing kpt #: 220 total cpu time spent up to now is 23.5 secs Computing kpt #: 221 total cpu time spent up to now is 23.5 secs Computing kpt #: 222 total cpu time spent up to now is 23.6 secs Computing kpt #: 223 total cpu time spent up to now is 23.7 secs Computing kpt #: 224 total cpu time spent up to now is 23.7 secs Computing kpt #: 225 total cpu time spent up to now is 23.8 secs Computing kpt #: 226 total cpu time spent up to now is 23.9 secs Computing kpt #: 227 total cpu time spent up to now is 23.9 secs Computing kpt #: 228 total cpu time spent up to now is 24.0 secs Computing kpt #: 229 total cpu time spent up to now is 24.1 secs Computing kpt #: 230 total cpu time spent up to now is 24.1 secs Computing kpt #: 231 total cpu time spent up to now is 24.2 secs Computing kpt #: 232 total cpu time spent up to now is 24.3 secs Computing kpt #: 233 total cpu time spent up to now is 24.3 secs Computing kpt #: 234 total cpu time spent up to now is 24.4 secs Computing kpt #: 235 total cpu time spent up to now is 24.5 secs Computing kpt #: 236 total cpu time spent up to now is 24.5 secs Computing kpt #: 237 total cpu time spent up to now is 24.6 secs Computing kpt #: 238 total cpu time spent up to now is 24.6 secs Computing kpt #: 239 total cpu time spent up to now is 24.7 secs Computing kpt #: 240 total cpu time spent up to now is 24.8 secs Computing kpt #: 241 total cpu time spent up to now is 24.8 secs Computing kpt #: 242 total cpu time spent up to now is 24.9 secs Computing kpt #: 243 total cpu time spent up to now is 25.0 secs Computing kpt #: 244 total cpu time spent up to now is 25.0 secs Computing kpt #: 245 total cpu time spent up to now is 25.1 secs Computing kpt #: 246 total cpu time spent up to now is 25.2 secs Computing kpt #: 247 total cpu time spent up to now is 25.2 secs Computing kpt #: 248 total cpu time spent up to now is 25.3 secs Computing kpt #: 249 total cpu time spent up to now is 25.4 secs Computing kpt #: 250 total cpu time spent up to now is 25.4 secs Computing kpt #: 251 total cpu time spent up to now is 25.5 secs Computing kpt #: 252 total cpu time spent up to now is 25.6 secs Computing kpt #: 253 total cpu time spent up to now is 25.6 secs Computing kpt #: 254 total cpu time spent up to now is 25.7 secs Computing kpt #: 255 total cpu time spent up to now is 25.8 secs Computing kpt #: 256 total cpu time spent up to now is 25.8 secs Computing kpt #: 257 total cpu time spent up to now is 25.9 secs Computing kpt #: 258 total cpu time spent up to now is 26.0 secs Computing kpt #: 259 total cpu time spent up to now is 26.0 secs Computing kpt #: 260 total cpu time spent up to now is 26.1 secs Computing kpt #: 261 total cpu time spent up to now is 26.2 secs Computing kpt #: 262 total cpu time spent up to now is 26.2 secs Computing kpt #: 263 total cpu time spent up to now is 26.3 secs Computing kpt #: 264 total cpu time spent up to now is 26.4 secs Computing kpt #: 265 total cpu time spent up to now is 26.4 secs Computing kpt #: 266 total cpu time spent up to now is 26.5 secs Computing kpt #: 267 total cpu time spent up to now is 26.6 secs Computing kpt #: 268 total cpu time spent up to now is 26.7 secs Computing kpt #: 269 total cpu time spent up to now is 26.7 secs Computing kpt #: 270 total cpu time spent up to now is 26.8 secs Computing kpt #: 271 total cpu time spent up to now is 26.9 secs Computing kpt #: 272 total cpu time spent up to now is 27.0 secs Computing kpt #: 273 total cpu time spent up to now is 27.0 secs Computing kpt #: 274 total cpu time spent up to now is 27.1 secs Computing kpt #: 275 total cpu time spent up to now is 27.2 secs Computing kpt #: 276 total cpu time spent up to now is 27.3 secs Computing kpt #: 277 total cpu time spent up to now is 27.3 secs Computing kpt #: 278 total cpu time spent up to now is 27.4 secs Computing kpt #: 279 total cpu time spent up to now is 27.5 secs Computing kpt #: 280 total cpu time spent up to now is 27.6 secs Computing kpt #: 281 total cpu time spent up to now is 27.7 secs Computing kpt #: 282 total cpu time spent up to now is 27.7 secs Computing kpt #: 283 total cpu time spent up to now is 27.8 secs Computing kpt #: 284 total cpu time spent up to now is 27.9 secs Computing kpt #: 285 total cpu time spent up to now is 28.0 secs Computing kpt #: 286 total cpu time spent up to now is 28.1 secs Computing kpt #: 287 total cpu time spent up to now is 28.1 secs Computing kpt #: 288 total cpu time spent up to now is 28.2 secs Computing kpt #: 289 total cpu time spent up to now is 28.3 secs Computing kpt #: 290 total cpu time spent up to now is 28.4 secs Computing kpt #: 291 total cpu time spent up to now is 28.5 secs Computing kpt #: 292 total cpu time spent up to now is 28.6 secs Computing kpt #: 293 total cpu time spent up to now is 28.6 secs Computing kpt #: 294 total cpu time spent up to now is 28.7 secs Computing kpt #: 295 total cpu time spent up to now is 28.8 secs Computing kpt #: 296 total cpu time spent up to now is 28.9 secs Computing kpt #: 297 total cpu time spent up to now is 29.0 secs Computing kpt #: 298 total cpu time spent up to now is 29.1 secs Computing kpt #: 299 total cpu time spent up to now is 29.2 secs Computing kpt #: 300 total cpu time spent up to now is 29.3 secs Computing kpt #: 301 total cpu time spent up to now is 29.4 secs Computing kpt #: 302 total cpu time spent up to now is 29.4 secs Computing kpt #: 303 total cpu time spent up to now is 29.5 secs Computing kpt #: 304 total cpu time spent up to now is 29.6 secs Computing kpt #: 305 total cpu time spent up to now is 29.7 secs Computing kpt #: 306 total cpu time spent up to now is 29.8 secs Computing kpt #: 307 total cpu time spent up to now is 29.9 secs Computing kpt #: 308 total cpu time spent up to now is 30.0 secs Computing kpt #: 309 total cpu time spent up to now is 30.0 secs Computing kpt #: 310 total cpu time spent up to now is 30.1 secs Computing kpt #: 311 total cpu time spent up to now is 30.2 secs Computing kpt #: 312 total cpu time spent up to now is 30.3 secs Computing kpt #: 313 total cpu time spent up to now is 30.4 secs Computing kpt #: 314 total cpu time spent up to now is 30.5 secs Computing kpt #: 315 total cpu time spent up to now is 30.6 secs Computing kpt #: 316 total cpu time spent up to now is 30.7 secs Computing kpt #: 317 total cpu time spent up to now is 30.7 secs Computing kpt #: 318 total cpu time spent up to now is 30.8 secs Computing kpt #: 319 total cpu time spent up to now is 30.9 secs Computing kpt #: 320 total cpu time spent up to now is 31.0 secs Computing kpt #: 321 total cpu time spent up to now is 31.1 secs Computing kpt #: 322 total cpu time spent up to now is 31.2 secs Computing kpt #: 323 total cpu time spent up to now is 31.3 secs Computing kpt #: 324 total cpu time spent up to now is 31.4 secs Computing kpt #: 325 total cpu time spent up to now is 31.5 secs Computing kpt #: 326 total cpu time spent up to now is 31.6 secs Computing kpt #: 327 total cpu time spent up to now is 31.7 secs Computing kpt #: 328 total cpu time spent up to now is 31.9 secs Computing kpt #: 329 total cpu time spent up to now is 32.0 secs Computing kpt #: 330 total cpu time spent up to now is 32.1 secs Computing kpt #: 331 total cpu time spent up to now is 32.2 secs Computing kpt #: 332 total cpu time spent up to now is 32.3 secs Computing kpt #: 333 total cpu time spent up to now is 32.4 secs Computing kpt #: 334 total cpu time spent up to now is 32.6 secs Computing kpt #: 335 total cpu time spent up to now is 32.7 secs Computing kpt #: 336 total cpu time spent up to now is 32.8 secs Computing kpt #: 337 total cpu time spent up to now is 32.9 secs Computing kpt #: 338 total cpu time spent up to now is 33.0 secs Computing kpt #: 339 total cpu time spent up to now is 33.2 secs Computing kpt #: 340 total cpu time spent up to now is 33.3 secs Computing kpt #: 341 total cpu time spent up to now is 33.5 secs Computing kpt #: 342 total cpu time spent up to now is 33.7 secs Computing kpt #: 343 total cpu time spent up to now is 33.8 secs Computing kpt #: 344 total cpu time spent up to now is 34.0 secs Computing kpt #: 345 total cpu time spent up to now is 34.2 secs Computing kpt #: 346 total cpu time spent up to now is 34.3 secs Computing kpt #: 347 total cpu time spent up to now is 34.5 secs Computing kpt #: 348 total cpu time spent up to now is 34.7 secs Computing kpt #: 349 total cpu time spent up to now is 34.8 secs Computing kpt #: 350 total cpu time spent up to now is 35.0 secs Computing kpt #: 351 total cpu time spent up to now is 35.1 secs Computing kpt #: 352 total cpu time spent up to now is 35.3 secs Computing kpt #: 353 total cpu time spent up to now is 35.4 secs Computing kpt #: 354 total cpu time spent up to now is 35.6 secs Computing kpt #: 355 total cpu time spent up to now is 35.8 secs Computing kpt #: 356 total cpu time spent up to now is 35.9 secs Computing kpt #: 357 total cpu time spent up to now is 36.0 secs Computing kpt #: 358 total cpu time spent up to now is 36.2 secs Computing kpt #: 359 total cpu time spent up to now is 36.3 secs Computing kpt #: 360 total cpu time spent up to now is 36.8 secs Computing kpt #: 361 total cpu time spent up to now is 36.9 secs Computing kpt #: 362 total cpu time spent up to now is 37.1 secs Computing kpt #: 363 total cpu time spent up to now is 37.2 secs Computing kpt #: 364 total cpu time spent up to now is 37.4 secs Computing kpt #: 365 total cpu time spent up to now is 37.6 secs Computing kpt #: 366 total cpu time spent up to now is 37.8 secs Computing kpt #: 367 total cpu time spent up to now is 37.9 secs Computing kpt #: 368 total cpu time spent up to now is 38.1 secs Computing kpt #: 369 total cpu time spent up to now is 38.3 secs Computing kpt #: 370 total cpu time spent up to now is 38.5 secs Computing kpt #: 371 total cpu time spent up to now is 38.7 secs Computing kpt #: 372 total cpu time spent up to now is 38.9 secs Computing kpt #: 373 total cpu time spent up to now is 39.1 secs Computing kpt #: 374 total cpu time spent up to now is 39.2 secs Computing kpt #: 375 total cpu time spent up to now is 39.4 secs Computing kpt #: 376 total cpu time spent up to now is 39.6 secs Computing kpt #: 377 total cpu time spent up to now is 39.8 secs Computing kpt #: 378 total cpu time spent up to now is 40.0 secs Computing kpt #: 379 total cpu time spent up to now is 40.1 secs Computing kpt #: 380 total cpu time spent up to now is 40.3 secs Computing kpt #: 381 total cpu time spent up to now is 40.4 secs Computing kpt #: 382 total cpu time spent up to now is 40.6 secs Computing kpt #: 383 total cpu time spent up to now is 40.8 secs Computing kpt #: 384 total cpu time spent up to now is 40.9 secs Computing kpt #: 385 total cpu time spent up to now is 41.0 secs Computing kpt #: 386 total cpu time spent up to now is 41.1 secs Computing kpt #: 387 total cpu time spent up to now is 41.2 secs Computing kpt #: 388 total cpu time spent up to now is 41.4 secs Computing kpt #: 389 total cpu time spent up to now is 41.5 secs Computing kpt #: 390 total cpu time spent up to now is 41.6 secs Computing kpt #: 391 total cpu time spent up to now is 41.7 secs Computing kpt #: 392 total cpu time spent up to now is 41.8 secs Computing kpt #: 393 total cpu time spent up to now is 41.9 secs Computing kpt #: 394 total cpu time spent up to now is 42.0 secs Computing kpt #: 395 total cpu time spent up to now is 42.1 secs Computing kpt #: 396 total cpu time spent up to now is 42.1 secs Computing kpt #: 397 total cpu time spent up to now is 42.2 secs Computing kpt #: 398 total cpu time spent up to now is 42.3 secs Computing kpt #: 399 total cpu time spent up to now is 42.4 secs Computing kpt #: 400 total cpu time spent up to now is 42.5 secs Computing kpt #: 401 total cpu time spent up to now is 42.6 secs Computing kpt #: 402 total cpu time spent up to now is 42.7 secs Computing kpt #: 403 total cpu time spent up to now is 42.7 secs Computing kpt #: 404 total cpu time spent up to now is 42.8 secs Computing kpt #: 405 total cpu time spent up to now is 42.9 secs Computing kpt #: 406 total cpu time spent up to now is 43.0 secs Computing kpt #: 407 total cpu time spent up to now is 43.1 secs Computing kpt #: 408 total cpu time spent up to now is 43.2 secs Computing kpt #: 409 total cpu time spent up to now is 43.3 secs Computing kpt #: 410 total cpu time spent up to now is 43.3 secs Computing kpt #: 411 total cpu time spent up to now is 43.4 secs Computing kpt #: 412 total cpu time spent up to now is 43.5 secs Computing kpt #: 413 total cpu time spent up to now is 43.6 secs Computing kpt #: 414 total cpu time spent up to now is 43.7 secs Computing kpt #: 415 total cpu time spent up to now is 43.8 secs Computing kpt #: 416 total cpu time spent up to now is 43.9 secs Computing kpt #: 417 total cpu time spent up to now is 44.0 secs Computing kpt #: 418 total cpu time spent up to now is 44.0 secs Computing kpt #: 419 total cpu time spent up to now is 44.1 secs Computing kpt #: 420 total cpu time spent up to now is 44.2 secs Computing kpt #: 421 total cpu time spent up to now is 44.3 secs Computing kpt #: 422 total cpu time spent up to now is 44.4 secs Computing kpt #: 423 total cpu time spent up to now is 44.5 secs Computing kpt #: 424 total cpu time spent up to now is 44.6 secs Computing kpt #: 425 total cpu time spent up to now is 44.7 secs Computing kpt #: 426 total cpu time spent up to now is 44.7 secs Computing kpt #: 427 total cpu time spent up to now is 44.8 secs Computing kpt #: 428 total cpu time spent up to now is 44.9 secs Computing kpt #: 429 total cpu time spent up to now is 45.0 secs Computing kpt #: 430 total cpu time spent up to now is 45.1 secs Computing kpt #: 431 total cpu time spent up to now is 45.2 secs Computing kpt #: 432 total cpu time spent up to now is 45.3 secs Computing kpt #: 433 total cpu time spent up to now is 45.4 secs Computing kpt #: 434 total cpu time spent up to now is 45.4 secs Computing kpt #: 435 total cpu time spent up to now is 45.5 secs Computing kpt #: 436 total cpu time spent up to now is 45.6 secs Computing kpt #: 437 total cpu time spent up to now is 45.7 secs Computing kpt #: 438 total cpu time spent up to now is 45.8 secs Computing kpt #: 439 total cpu time spent up to now is 45.9 secs Computing kpt #: 440 total cpu time spent up to now is 46.0 secs Computing kpt #: 441 total cpu time spent up to now is 46.0 secs Computing kpt #: 442 total cpu time spent up to now is 46.1 secs Computing kpt #: 443 total cpu time spent up to now is 46.2 secs Computing kpt #: 444 total cpu time spent up to now is 46.3 secs Computing kpt #: 445 total cpu time spent up to now is 46.4 secs Computing kpt #: 446 total cpu time spent up to now is 46.5 secs Computing kpt #: 447 total cpu time spent up to now is 46.6 secs Computing kpt #: 448 total cpu time spent up to now is 46.6 secs Computing kpt #: 449 total cpu time spent up to now is 46.7 secs Computing kpt #: 450 total cpu time spent up to now is 46.8 secs Computing kpt #: 451 total cpu time spent up to now is 46.9 secs Computing kpt #: 452 total cpu time spent up to now is 47.0 secs Computing kpt #: 453 total cpu time spent up to now is 47.1 secs Computing kpt #: 454 total cpu time spent up to now is 47.2 secs Computing kpt #: 455 total cpu time spent up to now is 47.3 secs Computing kpt #: 456 total cpu time spent up to now is 47.4 secs Computing kpt #: 457 total cpu time spent up to now is 47.5 secs Computing kpt #: 458 total cpu time spent up to now is 47.6 secs Computing kpt #: 459 total cpu time spent up to now is 47.7 secs Computing kpt #: 460 total cpu time spent up to now is 47.8 secs Computing kpt #: 461 total cpu time spent up to now is 47.9 secs Computing kpt #: 462 total cpu time spent up to now is 48.0 secs Computing kpt #: 463 total cpu time spent up to now is 48.1 secs Computing kpt #: 464 total cpu time spent up to now is 48.3 secs Computing kpt #: 465 total cpu time spent up to now is 48.4 secs Computing kpt #: 466 total cpu time spent up to now is 48.5 secs Computing kpt #: 467 total cpu time spent up to now is 48.6 secs Computing kpt #: 468 total cpu time spent up to now is 48.7 secs Computing kpt #: 469 total cpu time spent up to now is 48.8 secs Computing kpt #: 470 total cpu time spent up to now is 48.9 secs Computing kpt #: 471 total cpu time spent up to now is 49.1 secs Computing kpt #: 472 total cpu time spent up to now is 49.3 secs Computing kpt #: 473 total cpu time spent up to now is 49.4 secs Computing kpt #: 474 total cpu time spent up to now is 49.6 secs Computing kpt #: 475 total cpu time spent up to now is 49.8 secs Computing kpt #: 476 total cpu time spent up to now is 49.9 secs Computing kpt #: 477 total cpu time spent up to now is 50.1 secs Computing kpt #: 478 total cpu time spent up to now is 50.3 secs Computing kpt #: 479 total cpu time spent up to now is 50.4 secs Computing kpt #: 480 total cpu time spent up to now is 50.5 secs Computing kpt #: 481 total cpu time spent up to now is 50.7 secs Computing kpt #: 482 total cpu time spent up to now is 50.8 secs Computing kpt #: 483 total cpu time spent up to now is 50.9 secs Computing kpt #: 484 total cpu time spent up to now is 51.0 secs Computing kpt #: 485 total cpu time spent up to now is 51.2 secs Computing kpt #: 486 total cpu time spent up to now is 51.3 secs Computing kpt #: 487 total cpu time spent up to now is 51.4 secs Computing kpt #: 488 total cpu time spent up to now is 51.5 secs Computing kpt #: 489 total cpu time spent up to now is 51.6 secs Computing kpt #: 490 total cpu time spent up to now is 51.7 secs Computing kpt #: 491 total cpu time spent up to now is 51.7 secs Computing kpt #: 492 total cpu time spent up to now is 51.8 secs Computing kpt #: 493 total cpu time spent up to now is 51.9 secs Computing kpt #: 494 total cpu time spent up to now is 52.0 secs Computing kpt #: 495 total cpu time spent up to now is 52.1 secs Computing kpt #: 496 total cpu time spent up to now is 52.2 secs Computing kpt #: 497 total cpu time spent up to now is 52.3 secs Computing kpt #: 498 total cpu time spent up to now is 52.4 secs Computing kpt #: 499 total cpu time spent up to now is 52.5 secs Computing kpt #: 500 total cpu time spent up to now is 52.6 secs ethr = 5.00E-08, avg # of iterations = 16.1 total cpu time spent up to now is 52.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -54.0046 -54.0046 -25.9851 -25.9851 -25.0067 -25.0067 -25.0067 -25.0067 -4.4524 -4.4524 12.7141 12.7141 12.7623 12.7623 12.7623 12.7623 16.1933 16.1933 16.1933 16.1933 16.2387 16.2387 17.1559 17.1559 17.1559 17.1559 19.1836 19.1836 k = 0.0066-0.0038 0.0054 ( 1459 PWs) bands (ev): -54.0046 -54.0046 -25.9852 -25.9852 -25.0068 -25.0068 -25.0068 -25.0068 -4.4516 -4.4516 12.7110 12.7110 12.7576 12.7576 12.7610 12.7610 16.1933 16.1933 16.1955 16.1955 16.2399 16.2399 17.1563 17.1563 17.1609 17.1609 19.1873 19.1873 k = 0.0132-0.0076 0.0107 ( 1459 PWs) bands (ev): -54.0045 -54.0045 -25.9854 -25.9854 -25.0071 -25.0071 -25.0069 -25.0069 -4.4494 -4.4494 12.7001 12.7001 12.7455 12.7455 12.7572 12.7572 16.1928 16.1928 16.2020 16.2020 16.2439 16.2439 17.1573 17.1573 17.1755 17.1755 19.1983 19.1983 k = 0.0197-0.0114 0.0161 ( 1459 PWs) bands (ev): -54.0044 -54.0044 -25.9857 -25.9857 -25.0076 -25.0076 -25.0071 -25.0071 -4.4458 -4.4458 12.6770 12.6770 12.7307 12.7307 12.7509 12.7509 16.1906 16.1906 16.2128 16.2128 16.2518 16.2518 17.1590 17.1590 17.1993 17.1993 19.2167 19.2167 k = 0.0263-0.0152 0.0215 ( 1459 PWs) bands (ev): -54.0042 -54.0042 -25.9861 -25.9861 -25.0083 -25.0083 -25.0074 -25.0074 -4.4407 -4.4407 12.6389 12.6389 12.7168 12.7168 12.7422 12.7422 16.1859 16.1859 16.2279 16.2279 16.2645 16.2645 17.1614 17.1614 17.2314 17.2314 19.2427 19.2427 k = 0.0329-0.0190 0.0269 ( 1459 PWs) bands (ev): -54.0039 -54.0039 -25.9867 -25.9867 -25.0092 -25.0092 -25.0078 -25.0078 -4.4343 -4.4343 12.5874 12.5874 12.7031 12.7031 12.7311 12.7311 16.1786 16.1786 16.2470 16.2470 16.2819 16.2819 17.1644 17.1644 17.2710 17.2710 19.2764 19.2764 k = 0.0395-0.0228 0.0322 ( 1459 PWs) bands (ev): -54.0036 -54.0036 -25.9874 -25.9874 -25.0103 -25.0103 -25.0083 -25.0083 -4.4264 -4.4264 12.5247 12.5247 12.6884 12.6884 12.7178 12.7178 16.1688 16.1688 16.2701 16.2701 16.3039 16.3039 17.1682 17.1682 17.3167 17.3167 19.3180 19.3180 k = 0.0461-0.0266 0.0376 ( 1459 PWs) bands (ev): -54.0033 -54.0033 -25.9883 -25.9883 -25.0115 -25.0115 -25.0088 -25.0088 -4.4171 -4.4171 12.4526 12.4526 12.6722 12.6722 12.7025 12.7025 16.1567 16.1567 16.2970 16.2970 16.3300 16.3300 17.1725 17.1725 17.3674 17.3674 19.3677 19.3677 k = 0.0526-0.0304 0.0430 ( 1455 PWs) bands (ev): -54.0019 -54.0019 -25.9891 -25.9891 -25.0126 -25.0126 -25.0094 -25.0094 -4.4064 -4.4064 12.3726 12.3726 12.6543 12.6543 12.6852 12.6852 16.1424 16.1424 16.3277 16.3277 16.3602 16.3602 17.1776 17.1776 17.4320 17.4320 19.4257 19.4257 k = 0.0592-0.0342 0.0483 ( 1455 PWs) bands (ev): -54.0015 -54.0015 -25.9902 -25.9902 -25.0143 -25.0143 -25.0102 -25.0102 -4.3945 -4.3945 12.2855 12.2855 12.6348 12.6348 12.6661 12.6661 16.1262 16.1262 16.3617 16.3617 16.3938 16.3938 17.1833 17.1833 17.4886 17.4886 19.4920 19.4920 k = 0.0658-0.0380 0.0537 ( 1455 PWs) bands (ev): -54.0010 -54.0010 -25.9914 -25.9914 -25.0161 -25.0161 -25.0110 -25.0110 -4.3812 -4.3812 12.1926 12.1926 12.6138 12.6138 12.6454 12.6454 16.1080 16.1080 16.3988 16.3988 16.4308 16.4308 17.1896 17.1896 17.5465 17.5465 19.5667 19.5667 k = 0.0724-0.0418 0.0591 ( 1455 PWs) bands (ev): -54.0005 -54.0005 -25.9927 -25.9927 -25.0181 -25.0181 -25.0118 -25.0118 -4.3668 -4.3668 12.0950 12.0950 12.5915 12.5915 12.6232 12.6232 16.0880 16.0880 16.4390 16.4390 16.4708 16.4708 17.1966 17.1966 17.6048 17.6048 19.6497 19.6497 k = 0.0789-0.0456 0.0645 ( 1447 PWs) bands (ev): -53.9978 -53.9978 -25.9938 -25.9938 -25.0198 -25.0198 -25.0125 -25.0125 -4.3510 -4.3510 11.9934 11.9934 12.5680 12.5680 12.5999 12.5999 16.0705 16.0705 16.4887 16.4887 16.5203 16.5203 17.2049 17.2049 17.6631 17.6631 19.7410 19.7410 k = 0.0855-0.0494 0.0698 ( 1447 PWs) bands (ev): -53.9972 -53.9972 -25.9953 -25.9953 -25.0222 -25.0222 -25.0135 -25.0135 -4.3341 -4.3341 11.8887 11.8887 12.5433 12.5433 12.5754 12.5754 16.0470 16.0470 16.5341 16.5341 16.5657 16.5657 17.2131 17.2131 17.7200 17.7200 19.8400 19.8400 k = 0.0921-0.0532 0.0752 ( 1451 PWs) bands (ev): -53.9976 -53.9976 -25.9971 -25.9971 -25.0249 -25.0249 -25.0147 -25.0147 -4.3162 -4.3162 11.7818 11.7818 12.5175 12.5175 12.5497 12.5497 16.0218 16.0218 16.5784 16.5784 16.6100 16.6100 17.2198 17.2198 17.7747 17.7747 19.9464 19.9464 k = 0.0987-0.0570 0.0806 ( 1451 PWs) bands (ev): -53.9969 -53.9969 -25.9989 -25.9989 -25.0275 -25.0275 -25.0159 -25.0159 -4.2972 -4.2972 11.6732 11.6732 12.4910 12.4910 12.5234 12.5234 15.9952 15.9952 16.6281 16.6281 16.6598 16.6598 17.2292 17.2292 17.8285 17.8285 20.0597 20.0597 k = 0.1053-0.0608 0.0859 ( 1451 PWs) bands (ev): -53.9962 -53.9962 -26.0008 -26.0008 -25.0303 -25.0303 -25.0171 -25.0171 -4.2773 -4.2773 11.5636 11.5636 12.4640 12.4640 12.4965 12.4965 15.9670 15.9670 16.6798 16.6798 16.7114 16.7114 17.2392 17.2392 17.8804 17.8804 20.1794 20.1794 k = 0.1118-0.0646 0.0913 ( 1447 PWs) bands (ev): -53.9944 -53.9944 -26.0026 -26.0026 -25.0331 -25.0331 -25.0182 -25.0182 -4.2563 -4.2563 11.4537 11.4537 12.4365 12.4365 12.4692 12.4692 15.9414 15.9414 16.7354 16.7354 16.7671 16.7671 17.2498 17.2498 17.9306 17.9306 20.3052 20.3052 k = 0.1184-0.0684 0.0967 ( 1447 PWs) bands (ev): -53.9936 -53.9936 -26.0047 -26.0047 -25.0361 -25.0361 -25.0196 -25.0196 -4.2346 -4.2346 11.3438 11.3438 12.4086 12.4086 12.4415 12.4415 15.9105 15.9105 16.7900 16.7900 16.8218 16.8218 17.2609 17.2609 17.9788 17.9788 20.4358 20.4358 k = 0.1250-0.0722 0.1021 ( 1447 PWs) bands (ev): -53.9928 -53.9928 -26.0068 -26.0068 -25.0393 -25.0393 -25.0211 -25.0211 -4.2120 -4.2120 11.2343 11.2343 12.3806 12.3806 12.4135 12.4135 15.8783 15.8783 16.8459 16.8459 16.8777 16.8777 17.2726 17.2726 18.0253 18.0253 20.5709 20.5709 k = 0.1316-0.0760 0.1074 ( 1439 PWs) bands (ev): -53.9898 -53.9898 -26.0088 -26.0088 -25.0420 -25.0420 -25.0225 -25.0225 -4.1886 -4.1886 11.1266 11.1266 12.3525 12.3525 12.3856 12.3856 15.8451 15.8451 16.9068 16.9068 16.9386 16.9386 17.2850 17.2850 18.0824 18.0824 20.7100 20.7100 k = 0.1382-0.0798 0.1128 ( 1447 PWs) bands (ev): -53.9910 -53.9910 -26.0114 -26.0114 -25.0461 -25.0461 -25.0241 -25.0241 -4.1647 -4.1647 11.0182 11.0182 12.3242 12.3242 12.3575 12.3575 15.8106 15.8106 16.9623 16.9623 16.9941 16.9941 17.2977 17.2977 18.1092 18.1092 20.8508 20.8508 k = 0.1447-0.0836 0.1182 ( 1447 PWs) bands (ev): -53.9901 -53.9901 -26.0138 -26.0138 -25.0496 -25.0496 -25.0257 -25.0257 -4.1401 -4.1401 10.9125 10.9125 12.2962 12.2962 12.3296 12.3296 15.7752 15.7752 17.0205 17.0205 17.0522 17.0522 17.3110 17.3110 18.1506 18.1506 20.9953 20.9953 k = 0.1513-0.0874 0.1235 ( 1447 PWs) bands (ev): -53.9892 -53.9892 -26.0163 -26.0163 -25.0533 -25.0533 -25.0274 -25.0274 -4.1151 -4.1151 10.8087 10.8087 12.2684 12.2684 12.3020 12.3020 15.7388 15.7388 17.0791 17.0791 17.1106 17.1106 17.3249 17.3249 18.1907 18.1907 21.1417 21.1417 k = 0.1579-0.0912 0.1289 ( 1447 PWs) bands (ev): -53.9883 -53.9883 -26.0189 -26.0189 -25.0570 -25.0570 -25.0291 -25.0291 -4.0896 -4.0896 10.7071 10.7071 12.2409 12.2409 12.2747 12.2747 15.7015 15.7015 17.1380 17.1380 17.1691 17.1691 17.3395 17.3395 18.2298 18.2298 21.2896 21.2896 k = 0.1645-0.0950 0.1343 ( 1459 PWs) bands (ev): -53.9904 -53.9904 -26.0220 -26.0220 -25.0615 -25.0615 -25.0312 -25.0312 -4.0638 -4.0638 10.6076 10.6076 12.2133 12.2133 12.2473 12.2473 15.6623 15.6623 17.1862 17.1862 17.2167 17.2167 17.3523 17.3523 18.2621 18.2621 21.4383 21.4383 k = 0.1711-0.0988 0.1397 ( 1459 PWs) bands (ev): -53.9894 -53.9894 -26.0247 -26.0247 -25.0654 -25.0654 -25.0330 -25.0330 -4.0377 -4.0377 10.5111 10.5111 12.1866 12.1866 12.2208 12.2208 15.6236 15.6236 17.2448 17.2448 17.2737 17.2737 17.3689 17.3689 18.2992 18.2992 21.5875 21.5875 k = 0.1776-0.1026 0.1450 ( 1463 PWs) bands (ev): -53.9895 -53.9895 -26.0276 -26.0276 -25.0696 -25.0696 -25.0350 -25.0350 -4.0114 -4.0114 10.4174 10.4174 12.1603 12.1603 12.1947 12.1947 15.5839 15.5839 17.3002 17.3002 17.3253 17.3253 17.3880 17.3880 18.3309 18.3309 21.7363 21.7363 k = 0.1842-0.1064 0.1504 ( 1463 PWs) bands (ev): -53.9885 -53.9885 -26.0304 -26.0304 -25.0736 -25.0736 -25.0369 -25.0369 -3.9850 -3.9850 10.3268 10.3268 12.1347 12.1347 12.1693 12.1693 15.5441 15.5441 17.3580 17.3580 17.3705 17.3705 17.4162 17.4162 18.3661 18.3661 21.8852 21.8852 k = 0.1908-0.1102 0.1558 ( 1463 PWs) bands (ev): -53.9875 -53.9875 -26.0333 -26.0333 -25.0776 -25.0776 -25.0388 -25.0388 -3.9586 -3.9586 10.2394 10.2394 12.1098 12.1098 12.1446 12.1446 15.5038 15.5038 17.3991 17.3991 17.4152 17.4152 17.4609 17.4609 18.4005 18.4005 22.0333 22.0333 k = 0.1974-0.1140 0.1612 ( 1463 PWs) bands (ev): -53.9864 -53.9864 -26.0362 -26.0362 -25.0817 -25.0817 -25.0408 -25.0408 -3.9321 -3.9321 10.1554 10.1554 12.0856 12.0856 12.1206 12.1206 15.4631 15.4631 17.4194 17.4194 17.4717 17.4717 17.5135 17.5135 18.4342 18.4342 22.1804 22.1804 k = 0.2039-0.1177 0.1665 ( 1463 PWs) bands (ev): -53.9853 -53.9853 -26.0391 -26.0391 -25.0858 -25.0858 -25.0427 -25.0427 -3.9058 -3.9058 10.0749 10.0749 12.0620 12.0620 12.0973 12.0973 15.4222 15.4222 17.4375 17.4375 17.5274 17.5274 17.5676 17.5676 18.4671 18.4671 22.3260 22.3260 k = 0.2105-0.1215 0.1719 ( 1463 PWs) bands (ev): -53.9842 -53.9842 -26.0421 -26.0421 -25.0900 -25.0900 -25.0448 -25.0448 -3.8797 -3.8797 9.9980 9.9980 12.0393 12.0393 12.0747 12.0747 15.3810 15.3810 17.4550 17.4550 17.5821 17.5821 17.6217 17.6217 18.4992 18.4992 22.4700 22.4700 k = 0.2171-0.1253 0.1773 ( 1471 PWs) bands (ev): -53.9852 -53.9852 -26.0454 -26.0454 -25.0945 -25.0945 -25.0472 -25.0472 -3.8539 -3.8539 9.9248 9.9248 12.0170 12.0170 12.0527 12.0527 15.3395 15.3395 17.4654 17.4654 17.6284 17.6284 17.6676 17.6676 18.5303 18.5303 22.6118 22.6118 k = 0.2237-0.1291 0.1826 ( 1479 PWs) bands (ev): -53.9862 -53.9862 -26.0487 -26.0487 -25.0991 -25.0991 -25.0495 -25.0495 -3.8285 -3.8285 9.8555 9.8555 11.9953 11.9953 12.0312 12.0312 15.2973 15.2973 17.4785 17.4785 17.6727 17.6727 17.7119 17.7119 18.5595 18.5595 22.7515 22.7515 k = 0.2303-0.1329 0.1880 ( 1475 PWs) bands (ev): -53.9841 -53.9841 -26.0516 -26.0516 -25.1030 -25.1030 -25.0515 -25.0515 -3.8033 -3.8033 9.7903 9.7903 11.9750 11.9750 12.0112 12.0112 15.2560 15.2560 17.4959 17.4959 17.7253 17.7253 17.7645 17.7645 18.5962 18.5962 22.8895 22.8895 k = 0.2368-0.1367 0.1934 ( 1475 PWs) bands (ev): -53.9830 -53.9830 -26.0546 -26.0546 -25.1071 -25.1071 -25.0536 -25.0536 -3.7787 -3.7787 9.7288 9.7288 11.9555 11.9555 11.9919 11.9919 15.2147 15.2147 17.5132 17.5132 17.7746 17.7746 17.8139 17.8139 18.6247 18.6247 23.0241 23.0241 k = 0.2434-0.1405 0.1988 ( 1475 PWs) bands (ev): -53.9819 -53.9819 -26.0577 -26.0577 -25.1113 -25.1113 -25.0557 -25.0557 -3.7547 -3.7547 9.6712 9.6712 11.9368 11.9368 11.9735 11.9735 15.1736 15.1736 17.5305 17.5305 17.8225 17.8225 17.8619 17.8619 18.6522 18.6522 23.1560 23.1560 k = 0.2500-0.1443 0.2041 ( 1475 PWs) bands (ev): -53.9808 -53.9808 -26.0607 -26.0607 -25.1154 -25.1154 -25.0578 -25.0578 -3.7312 -3.7312 9.6176 9.6176 11.9190 11.9190 11.9560 11.9560 15.1327 15.1327 17.5479 17.5479 17.8688 17.8688 17.9083 17.9083 18.6786 18.6786 23.2850 23.2850 k = 0.2566-0.1481 0.2095 ( 1475 PWs) bands (ev): -53.9796 -53.9796 -26.0638 -26.0638 -25.1195 -25.1195 -25.0599 -25.0599 -3.7084 -3.7084 9.5681 9.5681 11.9021 11.9021 11.9393 11.9393 15.0921 15.0921 17.5653 17.5653 17.9135 17.9135 17.9532 17.9532 18.7039 18.7039 23.4109 23.4109 k = 0.2632-0.1519 0.2149 ( 1475 PWs) bands (ev): -53.9785 -53.9785 -26.0668 -26.0668 -25.1236 -25.1236 -25.0620 -25.0620 -3.6863 -3.6863 9.5226 9.5226 11.8860 11.8860 11.9235 11.9235 15.0518 15.0518 17.5827 17.5827 17.9566 17.9566 17.9964 17.9964 18.7280 18.7280 23.5336 23.5336 k = 0.2697-0.1557 0.2202 ( 1475 PWs) bands (ev): -53.9774 -53.9774 -26.0698 -26.0698 -25.1276 -25.1276 -25.0641 -25.0641 -3.6649 -3.6649 9.4811 9.4811 11.8708 11.8708 11.9085 11.9085 15.0120 15.0120 17.6001 17.6001 17.9979 17.9979 18.0379 18.0379 18.7507 18.7507 23.6531 23.6531 k = 0.2763-0.1595 0.2256 ( 1467 PWs) bands (ev): -53.9742 -53.9742 -26.0725 -26.0725 -25.1310 -25.1310 -25.0660 -25.0660 -3.6441 -3.6441 9.4436 9.4436 11.8566 11.8566 11.8946 11.8946 14.9733 14.9733 17.6178 17.6178 18.0443 18.0443 18.0845 18.0845 18.7808 18.7808 23.7701 23.7701 k = 0.2829-0.1633 0.2310 ( 1463 PWs) bands (ev): -53.9721 -53.9721 -26.0753 -26.0753 -25.1348 -25.1348 -25.0679 -25.0679 -3.6243 -3.6243 9.4099 9.4099 11.8430 11.8430 11.8812 11.8812 14.9359 14.9359 17.6348 17.6348 18.0870 18.0870 18.1274 18.1274 18.8006 18.8006 23.8825 23.8825 k = 0.2895-0.1671 0.2364 ( 1463 PWs) bands (ev): -53.9710 -53.9710 -26.0782 -26.0782 -25.1387 -25.1387 -25.0699 -25.0699 -3.6053 -3.6053 9.3802 9.3802 11.8302 11.8302 11.8688 11.8688 14.8976 14.8976 17.6519 17.6519 18.1226 18.1226 18.1632 18.1632 18.8188 18.8188 23.9922 23.9922 k = 0.2961-0.1709 0.2417 ( 1463 PWs) bands (ev): -53.9700 -53.9700 -26.0811 -26.0811 -25.1425 -25.1425 -25.0720 -25.0720 -3.5873 -3.5873 9.3543 9.3543 11.8183 11.8183 11.8571 11.8571 14.8600 14.8600 17.6689 17.6689 18.1564 18.1564 18.1973 18.1973 18.8354 18.8354 24.0986 24.0986 k = 0.3026-0.1747 0.2471 ( 1463 PWs) bands (ev): -53.9689 -53.9689 -26.0839 -26.0839 -25.1462 -25.1462 -25.0739 -25.0739 -3.5701 -3.5701 9.3321 9.3321 11.8071 11.8071 11.8462 11.8462 14.8230 14.8230 17.6858 17.6858 18.1884 18.1884 18.2295 18.2295 18.8503 18.8503 24.2018 24.2018 k = 0.3092-0.1785 0.2525 ( 1463 PWs) bands (ev): -53.9678 -53.9678 -26.0867 -26.0867 -25.1499 -25.1499 -25.0759 -25.0759 -3.5538 -3.5538 9.3136 9.3136 11.7966 11.7966 11.8360 11.8360 14.7824 14.7824 17.7097 17.7097 18.2191 18.2191 18.2605 18.2605 18.8632 18.8632 24.3021 24.3021 k = 0.3158-0.1823 0.2578 ( 1463 PWs) bands (ev): -53.9669 -53.9669 -26.0895 -26.0895 -25.1535 -25.1535 -25.0779 -25.0779 -3.5385 -3.5385 9.2984 9.2984 11.7870 11.7870 11.8266 11.8266 14.7469 14.7469 17.7260 17.7260 18.2474 18.2474 18.2890 18.2890 18.8746 18.8746 24.3991 24.3991 k = 0.3224-0.1861 0.2632 ( 1467 PWs) bands (ev): -53.9669 -53.9669 -26.0924 -26.0924 -25.1573 -25.1573 -25.0798 -25.0798 -3.5240 -3.5240 9.2863 9.2863 11.7780 11.7780 11.8179 11.8179 14.7122 14.7122 17.7420 17.7420 18.2717 18.2717 18.3135 18.3135 18.8772 18.8772 24.4926 24.4926 k = 0.3289-0.1899 0.2686 ( 1467 PWs) bands (ev): -53.9660 -53.9660 -26.0950 -26.0950 -25.1607 -25.1607 -25.0817 -25.0817 -3.5105 -3.5105 9.2777 9.2777 11.7698 11.7698 11.8100 11.8100 14.6784 14.6784 17.7578 17.7578 18.2964 18.2964 18.3385 18.3385 18.8847 18.8847 24.5841 24.5841 k = 0.3355-0.1937 0.2740 ( 1467 PWs) bands (ev): -53.9650 -53.9650 -26.0976 -26.0976 -25.1640 -25.1640 -25.0835 -25.0835 -3.4978 -3.4978 9.2722 9.2722 11.7623 11.7623 11.8027 11.8027 14.6456 14.6456 17.7733 17.7733 18.3194 18.3194 18.3618 18.3618 18.8903 18.8903 24.6730 24.6730 k = 0.3421-0.1975 0.2793 ( 1467 PWs) bands (ev): -53.9641 -53.9641 -26.1001 -26.1001 -25.1672 -25.1672 -25.0853 -25.0853 -3.4860 -3.4860 9.2696 9.2696 11.7554 11.7554 11.7961 11.7961 14.6138 14.6138 17.7884 17.7884 18.3408 18.3408 18.3834 18.3834 18.8941 18.8941 24.7595 24.7595 k = 0.3487-0.2013 0.2847 ( 1467 PWs) bands (ev): -53.9632 -53.9632 -26.1025 -26.1025 -25.1703 -25.1703 -25.0870 -25.0870 -3.4750 -3.4750 9.2697 9.2697 11.7491 11.7491 11.7900 11.7900 14.5830 14.5830 17.8032 17.8032 18.3605 18.3605 18.4034 18.4034 18.8960 18.8960 24.8438 24.8438 k = 0.3553-0.2051 0.2901 ( 1471 PWs) bands (ev): -53.9633 -53.9633 -26.1050 -26.1050 -25.1736 -25.1736 -25.0888 -25.0888 -3.4649 -3.4649 9.2723 9.2723 11.7432 11.7432 11.7844 11.7844 14.5516 14.5516 17.8176 17.8176 18.3742 18.3742 18.4174 18.4174 18.8958 18.8958 24.9261 24.9261 k = 0.3618-0.2089 0.2954 ( 1471 PWs) bands (ev): -53.9624 -53.9624 -26.1073 -26.1073 -25.1765 -25.1765 -25.0905 -25.0905 -3.4556 -3.4556 9.2771 9.2771 11.7380 11.7380 11.7795 11.7795 14.5229 14.5229 17.8316 17.8316 18.3908 18.3908 18.4342 18.4342 18.8942 18.8942 25.0067 25.0067 k = 0.3684-0.2127 0.3008 ( 1463 PWs) bands (ev): -53.9595 -53.9595 -26.1092 -26.1092 -25.1789 -25.1789 -25.0917 -25.0917 -3.4470 -3.4470 9.2841 9.2841 11.7334 11.7334 11.7751 11.7751 14.4979 14.4979 17.8478 17.8478 18.4148 18.4148 18.4585 18.4585 18.8912 18.8912 25.0861 25.0861 k = 0.3750-0.2165 0.3062 ( 1463 PWs) bands (ev): -53.9587 -53.9587 -26.1113 -26.1113 -25.1815 -25.1815 -25.0932 -25.0932 -3.4392 -3.4392 9.2929 9.2929 11.7293 11.7293 11.7712 11.7712 14.4714 14.4714 17.8609 17.8609 18.4286 18.4286 18.4725 18.4725 18.8865 18.8865 25.1637 25.1637 k = 0.3816-0.2203 0.3116 ( 1463 PWs) bands (ev): -53.9579 -53.9579 -26.1133 -26.1133 -25.1841 -25.1841 -25.0947 -25.0947 -3.4321 -3.4321 9.3032 9.3032 11.7255 11.7255 11.7677 11.7677 14.4461 14.4461 17.8735 17.8735 18.4410 18.4410 18.4853 18.4853 18.8803 18.8803 25.2402 25.2402 k = 0.3882-0.2241 0.3169 ( 1471 PWs) bands (ev): -53.9592 -53.9592 -26.1156 -26.1156 -25.1870 -25.1870 -25.0962 -25.0962 -3.4258 -3.4258 9.3148 9.3148 11.7221 11.7221 11.7645 11.7645 14.4217 14.4217 17.8843 17.8843 18.4438 18.4438 18.4884 18.4884 18.8659 18.8659 25.3156 25.3156 k = 0.3947-0.2279 0.3223 ( 1471 PWs) bands (ev): -53.9585 -53.9585 -26.1175 -26.1175 -25.1894 -25.1894 -25.0976 -25.0976 -3.4200 -3.4200 9.3277 9.3277 11.7192 11.7192 11.7618 11.7618 14.3988 14.3988 17.8958 17.8958 18.4536 18.4536 18.4986 18.4986 18.8572 18.8572 25.3906 25.3906 k = 0.4013-0.2317 0.3277 ( 1471 PWs) bands (ev): -53.9579 -53.9579 -26.1193 -26.1193 -25.1918 -25.1918 -25.0985 -25.0985 -3.4148 -3.4148 9.3415 9.3415 11.7166 11.7166 11.7594 11.7594 14.3764 14.3764 17.9214 17.9214 18.4536 18.4536 18.4988 18.4988 18.8495 18.8495 25.4666 25.4666 k = 0.4079-0.2355 0.3330 ( 1472 PWs) bands (ev): -53.9575 -53.9575 -26.1209 -26.1209 -25.1939 -25.1939 -25.0997 -25.0997 -3.4102 -3.4102 9.3557 9.3557 11.7144 11.7144 11.7574 11.7574 14.3561 14.3561 17.9317 17.9317 18.4611 18.4611 18.5068 18.5068 18.8363 18.8363 25.5404 25.5404 k = 0.4145-0.2393 0.3384 ( 1468 PWs) bands (ev): -53.9559 -53.9559 -26.1223 -26.1223 -25.1955 -25.1955 -25.1008 -25.1008 -3.4060 -3.4060 9.3704 9.3704 11.7125 11.7125 11.7556 11.7556 14.3372 14.3372 17.9413 17.9413 18.4691 18.4691 18.5150 18.5150 18.8357 18.8357 25.6143 25.6143 k = 0.4211-0.2431 0.3438 ( 1468 PWs) bands (ev): -53.9554 -53.9554 -26.1237 -26.1237 -25.1973 -25.1973 -25.1019 -25.1019 -3.4024 -3.4024 9.3852 9.3852 11.7109 11.7109 11.7542 11.7542 14.3195 14.3195 17.9504 17.9504 18.4750 18.4750 18.5212 18.5212 18.8242 18.8242 25.6879 25.6879 k = 0.4276-0.2469 0.3492 ( 1468 PWs) bands (ev): -53.9549 -53.9549 -26.1250 -26.1250 -25.1989 -25.1989 -25.1028 -25.1028 -3.3992 -3.3992 9.3998 9.3998 11.7095 11.7095 11.7529 11.7529 14.3032 14.3032 17.9588 17.9588 18.4800 18.4800 18.5267 18.5267 18.8126 18.8126 25.7615 25.7615 k = 0.4342-0.2507 0.3545 ( 1468 PWs) bands (ev): -53.9544 -53.9544 -26.1263 -26.1263 -25.2004 -25.2004 -25.1037 -25.1037 -3.3965 -3.3965 9.4140 9.4140 11.7083 11.7083 11.7519 11.7519 14.2883 14.2883 17.9665 17.9665 18.4843 18.4843 18.5314 18.5314 18.8012 18.8012 25.8351 25.8351 k = 0.4408-0.2545 0.3599 ( 1468 PWs) bands (ev): -53.9540 -53.9540 -26.1274 -26.1274 -25.2018 -25.2018 -25.1045 -25.1045 -3.3941 -3.3941 9.4277 9.4277 11.7073 11.7073 11.7511 11.7511 14.2748 14.2748 17.9736 17.9736 18.4881 18.4881 18.5356 18.5356 18.7902 18.7902 25.9085 25.9085 k = 0.4474-0.2583 0.3653 ( 1468 PWs) bands (ev): -53.9535 -53.9535 -26.1284 -26.1284 -25.2030 -25.2030 -25.1052 -25.1052 -3.3920 -3.3920 9.4406 9.4406 11.7065 11.7065 11.7504 11.7504 14.2627 14.2627 17.9800 17.9800 18.4912 18.4912 18.5391 18.5391 18.7797 18.7797 25.9816 25.9816 k = 0.4539-0.2621 0.3706 ( 1468 PWs) bands (ev): -53.9532 -53.9532 -26.1292 -26.1292 -25.2041 -25.2041 -25.1059 -25.1059 -3.3903 -3.3903 9.4524 9.4524 11.7058 11.7058 11.7498 11.7498 14.2519 14.2519 17.9858 17.9858 18.4938 18.4938 18.5422 18.5422 18.7700 18.7700 26.0542 26.0542 k = 0.4605-0.2659 0.3760 ( 1468 PWs) bands (ev): -53.9528 -53.9528 -26.1300 -26.1300 -25.2051 -25.2051 -25.1064 -25.1064 -3.3888 -3.3888 9.4631 9.4631 11.7053 11.7053 11.7493 11.7493 14.2426 14.2426 17.9908 17.9908 18.4960 18.4960 18.5447 18.5447 18.7613 18.7613 26.1254 26.1254 k = 0.4671-0.2697 0.3814 ( 1468 PWs) bands (ev): -53.9525 -53.9525 -26.1306 -26.1306 -25.2058 -25.2058 -25.1069 -25.1069 -3.3876 -3.3876 9.4724 9.4724 11.7048 11.7048 11.7490 11.7490 14.2348 14.2348 17.9951 17.9951 18.4978 18.4978 18.5469 18.5469 18.7538 18.7538 26.1945 26.1945 k = 0.4737-0.2735 0.3868 ( 1460 PWs) bands (ev): -53.9501 -53.9501 -26.1309 -26.1309 -25.2062 -25.2062 -25.1069 -25.1069 -3.3867 -3.3867 9.4803 9.4803 11.7045 11.7045 11.7487 11.7487 14.2301 14.2301 18.0046 18.0046 18.5071 18.5071 18.5568 18.5568 18.7479 18.7479 26.2606 26.2606 k = 0.4803-0.2773 0.3921 ( 1460 PWs) bands (ev): -53.9499 -53.9499 -26.1313 -26.1313 -25.2067 -25.2067 -25.1072 -25.1072 -3.3860 -3.3860 9.4865 9.4865 11.7042 11.7042 11.7485 11.7485 14.2251 14.2251 18.0073 18.0073 18.5081 18.5081 18.5581 18.5581 18.7430 18.7430 26.3195 26.3195 k = 0.4868-0.2811 0.3975 ( 1460 PWs) bands (ev): -53.9497 -53.9497 -26.1315 -26.1315 -25.2067 -25.2067 -25.1078 -25.1078 -3.3853 -3.3853 9.4911 9.4911 11.7040 11.7040 11.7483 11.7483 14.2177 14.2177 18.0017 18.0017 18.5130 18.5130 18.5629 18.5629 18.7477 18.7477 26.3665 26.3665 k = 0.4934-0.2849 0.4029 ( 1472 PWs) bands (ev): -53.9528 -53.9528 -26.1321 -26.1321 -25.2074 -25.2074 -25.1085 -25.1085 -3.3850 -3.3850 9.4938 9.4938 11.7038 11.7038 11.7481 11.7481 14.2100 14.2100 17.9961 17.9961 18.5039 18.5039 18.5537 18.5537 18.7440 18.7440 26.3976 26.3976 k = 0.5000-0.2887 0.4082 ( 1476 PWs) bands (ev): -53.9538 -53.9538 -26.1324 -26.1324 -25.2078 -25.2078 -25.1086 -25.1086 -3.3850 -3.3850 9.4947 9.4947 11.7037 11.7037 11.7481 11.7481 14.2093 14.2093 17.9964 17.9964 18.5030 18.5030 18.5533 18.5533 18.7325 18.7325 26.4093 26.4093 k = 0.5000-0.2887 0.4082 ( 1476 PWs) bands (ev): -53.9538 -53.9538 -26.1324 -26.1324 -25.2078 -25.2078 -25.1086 -25.1086 -3.3850 -3.3850 9.4947 9.4947 11.7037 11.7037 11.7481 11.7481 14.2093 14.2093 17.9964 17.9964 18.5030 18.5030 18.5533 18.5533 18.7325 18.7325 26.4093 26.4093 k = 0.5000-0.2811 0.4136 ( 1470 PWs) bands (ev): -53.9522 -53.9522 -26.1322 -26.1322 -25.2076 -25.2076 -25.1083 -25.1083 -3.3847 -3.3847 9.4951 9.4951 11.7007 11.7007 11.7450 11.7450 14.2157 14.2157 18.0060 18.0060 18.5055 18.5055 18.5560 18.5560 18.7351 18.7351 26.4126 26.4126 k = 0.5000-0.2735 0.4190 ( 1462 PWs) bands (ev): -53.9502 -53.9502 -26.1318 -26.1318 -25.2072 -25.2072 -25.1080 -25.1080 -3.3836 -3.3836 9.4961 9.4961 11.6916 11.6916 11.7356 11.7356 14.2344 14.2344 18.0143 18.0143 18.5106 18.5106 18.5610 18.5610 18.7378 18.7378 26.4201 26.4201 k = 0.5000-0.2659 0.4244 ( 1462 PWs) bands (ev): -53.9502 -53.9502 -26.1318 -26.1318 -25.2071 -25.2071 -25.1082 -25.1082 -3.3819 -3.3819 9.4979 9.4979 11.6764 11.6764 11.7202 11.7202 14.2580 14.2580 18.0224 18.0224 18.5093 18.5093 18.5598 18.5598 18.7399 18.7399 26.4306 26.4306 k = 0.5000-0.2583 0.4297 ( 1466 PWs) bands (ev): -53.9514 -53.9514 -26.1320 -26.1320 -25.2071 -25.2071 -25.1087 -25.1087 -3.3794 -3.3794 9.5003 9.5003 11.6556 11.6556 11.6990 11.6990 14.2869 14.2869 18.0361 18.0361 18.5013 18.5013 18.5541 18.5541 18.7436 18.7436 26.4449 26.4449 k = 0.5000-0.2507 0.4351 ( 1464 PWs) bands (ev): -53.9509 -53.9509 -26.1318 -26.1318 -25.2067 -25.2067 -25.1090 -25.1090 -3.3762 -3.3762 9.5035 9.5035 11.6294 11.6294 11.6724 11.6724 14.3245 14.3245 18.0570 18.0570 18.4972 18.4972 18.5520 18.5520 18.7542 18.7542 26.4639 26.4639 k = 0.5000-0.2431 0.4405 ( 1468 PWs) bands (ev): -53.9520 -53.9520 -26.1320 -26.1320 -25.2068 -25.2068 -25.1095 -25.1095 -3.3725 -3.3725 9.5073 9.5073 11.5982 11.5982 11.6408 11.6408 14.3693 14.3693 18.0811 18.0811 18.4856 18.4856 18.5484 18.5484 18.7551 18.7551 26.4871 26.4871 k = 0.5000-0.2355 0.4459 ( 1468 PWs) bands (ev): -53.9521 -53.9521 -26.1319 -26.1319 -25.2065 -25.2065 -25.1101 -25.1101 -3.3681 -3.3681 9.5119 9.5119 11.5626 11.5626 11.6046 11.6046 14.4207 14.4207 18.1089 18.1089 18.4770 18.4770 18.5468 18.5468 18.7634 18.7634 26.5145 26.5145 k = 0.5000-0.2279 0.4512 ( 1468 PWs) bands (ev): -53.9521 -53.9521 -26.1319 -26.1319 -25.2061 -25.2061 -25.1107 -25.1107 -3.3631 -3.3631 9.5173 9.5173 11.5229 11.5229 11.5643 11.5643 14.4781 14.4781 18.1392 18.1392 18.4665 18.4665 18.5456 18.5456 18.7737 18.7737 26.5461 26.5461 k = 0.5000-0.2203 0.4566 ( 1468 PWs) bands (ev): -53.9522 -53.9522 -26.1318 -26.1318 -25.2057 -25.2057 -25.1113 -25.1113 -3.3575 -3.3575 9.5233 9.5233 11.4798 11.4798 11.5203 11.5203 14.5410 14.5410 18.1713 18.1713 18.4540 18.4540 18.5448 18.5448 18.7860 18.7860 26.5820 26.5820 k = 0.5000-0.2127 0.4620 ( 1472 PWs) bands (ev): -53.9532 -53.9532 -26.1319 -26.1319 -25.2055 -25.2055 -25.1123 -25.1123 -3.3514 -3.3514 9.5302 9.5302 11.4336 11.4336 11.4731 11.4731 14.6079 14.6079 18.2015 18.2015 18.4383 18.4383 18.5372 18.5372 18.8007 18.8007 26.6215 26.6215 k = 0.5000-0.2051 0.4673 ( 1472 PWs) bands (ev): -53.9532 -53.9532 -26.1319 -26.1319 -25.2050 -25.2050 -25.1131 -25.1131 -3.3448 -3.3448 9.5378 9.5378 11.3849 11.3849 11.4232 11.4232 14.6800 14.6800 18.2349 18.2349 18.4218 18.4218 18.5369 18.5369 18.8182 18.8182 26.6658 26.6658 k = 0.5000-0.1975 0.4727 ( 1470 PWs) bands (ev): -53.9527 -53.9527 -26.1317 -26.1317 -25.2044 -25.2044 -25.1138 -25.1138 -3.3377 -3.3377 9.5461 9.5461 11.3340 11.3340 11.3712 11.3712 14.7561 14.7561 18.2705 18.2705 18.4032 18.4032 18.5371 18.5371 18.8416 18.8416 26.7144 26.7144 k = 0.5000-0.1899 0.4781 ( 1470 PWs) bands (ev): -53.9528 -53.9528 -26.1317 -26.1317 -25.2039 -25.2039 -25.1147 -25.1147 -3.3302 -3.3302 9.5553 9.5553 11.2814 11.2814 11.3174 11.3174 14.8355 14.8355 18.3017 18.3017 18.3825 18.3825 18.5374 18.5374 18.8654 18.8654 26.7668 26.7668 k = 0.5000-0.1823 0.4835 ( 1466 PWs) bands (ev): -53.9517 -53.9517 -26.1315 -26.1315 -25.2031 -25.2031 -25.1155 -25.1155 -3.3224 -3.3224 9.5653 9.5653 11.2273 11.2273 11.2625 11.2625 14.9205 14.9205 18.3318 18.3318 18.3629 18.3629 18.5392 18.5392 18.8949 18.8949 26.8237 26.8237 k = 0.5000-0.1747 0.4888 ( 1470 PWs) bands (ev): -53.9528 -53.9528 -26.1315 -26.1315 -25.2026 -25.2026 -25.1167 -25.1167 -3.3142 -3.3142 9.5761 9.5761 11.1720 11.1720 11.2067 11.2067 15.0050 15.0050 18.3318 18.3318 18.3553 18.3553 18.5396 18.5396 18.9228 18.9228 26.8836 26.8836 k = 0.5000-0.1671 0.4942 ( 1470 PWs) bands (ev): -53.9528 -53.9528 -26.1315 -26.1315 -25.2020 -25.2020 -25.1178 -25.1178 -3.3058 -3.3058 9.5878 9.5878 11.1158 11.1158 11.1505 11.1505 15.0923 15.0923 18.3045 18.3045 18.3795 18.3795 18.5408 18.5408 18.9560 18.9560 26.9475 26.9475 k = 0.5000-0.1595 0.4996 ( 1472 PWs) bands (ev): -53.9534 -53.9534 -26.1314 -26.1314 -25.2013 -25.2013 -25.1191 -25.1191 -3.2972 -3.2972 9.6003 9.6003 11.0589 11.0589 11.0943 11.0943 15.1809 15.1809 18.2748 18.2748 18.4000 18.4000 18.5422 18.5422 18.9879 18.9879 27.0148 27.0148 k = 0.5000-0.1519 0.5049 ( 1468 PWs) bands (ev): -53.9523 -53.9523 -26.1312 -26.1312 -25.2003 -25.2003 -25.1201 -25.1201 -3.2884 -3.2884 9.6139 9.6139 11.0020 11.0020 11.0384 11.0384 15.2724 15.2724 18.2505 18.2505 18.4208 18.4208 18.5455 18.5455 19.0258 19.0258 27.0858 27.0858 k = 0.5000-0.1443 0.5103 ( 1476 PWs) bands (ev): -53.9544 -53.9544 -26.1314 -26.1314 -25.1999 -25.1999 -25.1218 -25.1218 -3.2795 -3.2795 9.6281 9.6281 10.9451 10.9451 10.9823 10.9823 15.3590 15.3590 18.2089 18.2089 18.4346 18.4346 18.5453 18.5453 19.0630 19.0630 27.1589 27.1590 k = 0.5000-0.1367 0.5157 ( 1476 PWs) bands (ev): -53.9545 -53.9545 -26.1313 -26.1313 -25.1991 -25.1991 -25.1230 -25.1230 -3.2707 -3.2707 9.6433 9.6433 10.8889 10.8889 10.9273 10.9273 15.4523 15.4523 18.1721 18.1721 18.4480 18.4480 18.5477 18.5477 19.1037 19.1037 27.2353 27.2353 k = 0.5000-0.1291 0.5211 ( 1478 PWs) bands (ev): -53.9550 -53.9550 -26.1313 -26.1313 -25.1983 -25.1983 -25.1244 -25.1244 -3.2618 -3.2618 9.6595 9.6595 10.8336 10.8336 10.8728 10.8728 15.5440 15.5440 18.1328 18.1328 18.4591 18.4591 18.5502 18.5502 19.1433 19.1433 27.3115 27.3115 k = 0.5000-0.1215 0.5264 ( 1478 PWs) bands (ev): -53.9550 -53.9550 -26.1312 -26.1312 -25.1974 -25.1974 -25.1256 -25.1256 -3.2531 -3.2531 9.6766 9.6766 10.7797 10.7797 10.8193 10.8193 15.6388 15.6388 18.0910 18.0910 18.4684 18.4684 18.5531 18.5531 19.1845 19.1845 27.3632 27.3632 k = 0.5000-0.1140 0.5318 ( 1478 PWs) bands (ev): -53.9551 -53.9551 -26.1312 -26.1312 -25.1966 -25.1966 -25.1269 -25.1269 -3.2445 -3.2445 9.6947 9.6947 10.7274 10.7274 10.7666 10.7666 15.7340 15.7340 18.0468 18.0468 18.4759 18.4759 18.5561 18.5561 19.2252 19.2252 27.3952 27.3952 k = 0.5000-0.1064 0.5372 ( 1474 PWs) bands (ev): -53.9540 -53.9540 -26.1309 -26.1309 -25.1955 -25.1955 -25.1280 -25.1280 -3.2362 -3.2362 9.7138 9.7138 10.6771 10.6771 10.7150 10.7150 15.8326 15.8326 18.0011 18.0011 18.4850 18.4850 18.5623 18.5623 19.2649 19.2649 27.4278 27.4278 k = 0.5000-0.0988 0.5425 ( 1474 PWs) bands (ev): -53.9540 -53.9540 -26.1309 -26.1309 -25.1947 -25.1947 -25.1292 -25.1292 -3.2281 -3.2281 9.7339 9.7339 10.6289 10.6289 10.6644 10.6644 15.9282 15.9282 17.9519 17.9519 18.4900 18.4900 18.5654 18.5654 19.3031 19.3031 27.4623 27.4623 k = 0.5000-0.0912 0.5479 ( 1474 PWs) bands (ev): -53.9540 -53.9540 -26.1308 -26.1308 -25.1938 -25.1938 -25.1305 -25.1305 -3.2203 -3.2203 9.7550 9.7550 10.5830 10.5830 10.6149 10.6149 16.0238 16.0238 17.9001 17.9001 18.4941 18.4941 18.5684 18.5684 19.3397 19.3397 27.4991 27.4991 k = 0.5000-0.0836 0.5533 ( 1468 PWs) bands (ev): -53.9525 -53.9525 -26.1305 -26.1305 -25.1925 -25.1925 -25.1315 -25.1315 -3.2129 -3.2129 9.7776 9.7776 10.5394 10.5394 10.5668 10.5668 16.1189 16.1189 17.8569 17.8569 18.5008 18.5008 18.5750 18.5750 19.3741 19.3741 27.5397 27.5397 k = 0.5000-0.0760 0.5587 ( 1468 PWs) bands (ev): -53.9525 -53.9525 -26.1304 -26.1304 -25.1917 -25.1917 -25.1327 -25.1327 -3.2060 -3.2060 9.8008 9.8008 10.4978 10.4978 10.5209 10.5209 16.2136 16.2136 17.7998 17.7998 18.5035 18.5035 18.5776 18.5776 19.4063 19.4063 27.5816 27.5816 k = 0.5000-0.0684 0.5640 ( 1468 PWs) bands (ev): -53.9525 -53.9525 -26.1304 -26.1304 -25.1909 -25.1909 -25.1338 -25.1338 -3.1996 -3.1996 9.8252 9.8252 10.4570 10.4570 10.4784 10.4784 16.3078 16.3078 17.7401 17.7401 18.5058 18.5058 18.5800 18.5800 19.4360 19.4360 27.6259 27.6259 k = 0.5000-0.0608 0.5694 ( 1464 PWs) bands (ev): -53.9515 -53.9515 -26.1302 -26.1302 -25.1900 -25.1900 -25.1346 -25.1346 -3.1937 -3.1937 9.8510 9.8510 10.4156 10.4156 10.4413 10.4413 16.4014 16.4014 17.6842 17.6842 18.5083 18.5083 18.5830 18.5830 19.4669 19.4669 27.6745 27.6745 k = 0.5000-0.0532 0.5748 ( 1464 PWs) bands (ev): -53.9515 -53.9515 -26.1301 -26.1301 -25.1893 -25.1893 -25.1356 -25.1356 -3.1884 -3.1884 9.8776 9.8776 10.3732 10.3732 10.4096 10.4096 16.4951 16.4951 17.6187 17.6187 18.5097 18.5097 18.5849 18.5849 19.4899 19.4899 27.7240 27.7240 k = 0.5000-0.0456 0.5801 ( 1464 PWs) bands (ev): -53.9515 -53.9515 -26.1301 -26.1301 -25.1886 -25.1886 -25.1364 -25.1364 -3.1837 -3.1837 9.9053 9.9053 10.3310 10.3310 10.3826 10.3826 16.5865 16.5865 17.5515 17.5515 18.5108 18.5108 18.5867 18.5867 19.5107 19.5107 27.7763 27.7763 k = 0.5000-0.0380 0.5855 ( 1464 PWs) bands (ev): -53.9515 -53.9515 -26.1301 -26.1301 -25.1880 -25.1880 -25.1372 -25.1372 -3.1797 -3.1797 9.9342 9.9342 10.2895 10.2895 10.3599 10.3599 16.6768 16.6768 17.4819 17.4819 18.5118 18.5118 18.5882 18.5882 19.5285 19.5285 27.8313 27.8313 k = 0.5000-0.0304 0.5909 ( 1464 PWs) bands (ev): -53.9516 -53.9516 -26.1300 -26.1300 -25.1875 -25.1875 -25.1379 -25.1379 -3.1764 -3.1764 9.9643 9.9643 10.2489 10.2489 10.3413 10.3413 16.7657 16.7657 17.4101 17.4101 18.5126 18.5126 18.5894 18.5894 19.5432 19.5432 27.8890 27.8890 k = 0.5000-0.0228 0.5963 ( 1464 PWs) bands (ev): -53.9516 -53.9516 -26.1300 -26.1300 -25.1871 -25.1871 -25.1384 -25.1384 -3.1738 -3.1738 9.9955 9.9955 10.2095 10.2095 10.3268 10.3268 16.8531 16.8531 17.3361 17.3361 18.5132 18.5132 18.5904 18.5904 19.5547 19.5547 27.9494 27.9494 k = 0.5000-0.0152 0.6016 ( 1464 PWs) bands (ev): -53.9516 -53.9516 -26.1300 -26.1300 -25.1868 -25.1868 -25.1388 -25.1388 -3.1719 -3.1719 10.0277 10.0277 10.1713 10.1713 10.3165 10.3165 16.9388 16.9388 17.2600 17.2600 18.5136 18.5136 18.5911 18.5911 19.5629 19.5629 28.0125 28.0125 k = 0.5000-0.0076 0.6070 ( 1456 PWs) bands (ev): -53.9495 -53.9495 -26.1297 -26.1297 -25.1861 -25.1861 -25.1389 -25.1389 -3.1707 -3.1707 10.0608 10.0608 10.1347 10.1347 10.3110 10.3110 17.0224 17.0224 17.1825 17.1825 18.5228 18.5228 18.6014 18.6014 19.5731 19.5731 28.0779 28.0779 k = 0.5000 0.0000 0.6124 ( 1448 PWs) bands (ev): -53.9474 -53.9474 -26.1293 -26.1293 -25.1857 -25.1857 -25.1386 -25.1386 -3.1703 -3.1703 10.0878 10.0878 10.1070 10.1070 10.3093 10.3093 17.0923 17.0923 17.1236 17.1236 18.5288 18.5288 18.6056 18.6056 19.5778 19.5778 28.1388 28.1388 k = 0.5000 0.0000 0.6124 ( 1448 PWs) bands (ev): -53.9474 -53.9474 -26.1293 -26.1293 -25.1857 -25.1857 -25.1386 -25.1386 -3.1703 -3.1703 10.0878 10.0878 10.1070 10.1070 10.3093 10.3093 17.0923 17.0923 17.1236 17.1236 18.5288 18.5288 18.6056 18.6056 19.5778 19.5778 28.1388 28.1388 k = 0.4954 0.0080 0.6124 ( 1464 PWs) bands (ev): -53.9516 -53.9516 -26.1300 -26.1300 -25.1866 -25.1866 -25.1390 -25.1390 -3.1705 -3.1705 10.0705 10.0705 10.1196 10.1196 10.3130 10.3130 17.0464 17.0464 17.1597 17.1597 18.5139 18.5139 18.5919 18.5919 19.5693 19.5693 28.0973 28.0973 k = 0.4907 0.0160 0.6124 ( 1464 PWs) bands (ev): -53.9516 -53.9516 -26.1299 -26.1299 -25.1868 -25.1868 -25.1387 -25.1387 -3.1708 -3.1708 10.0478 10.0478 10.1294 10.1294 10.3284 10.3284 16.9897 16.9897 17.2148 17.2148 18.5141 18.5141 18.5929 18.5929 19.5684 19.5684 28.0507 28.0508 k = 0.4861 0.0241 0.6124 ( 1464 PWs) bands (ev): -53.9517 -53.9517 -26.1299 -26.1299 -25.1871 -25.1871 -25.1383 -25.1383 -3.1714 -3.1714 10.0254 10.0254 10.1307 10.1307 10.3535 10.3535 16.9321 16.9321 17.2699 17.2699 18.5145 18.5145 18.5948 18.5948 19.5670 19.5670 28.0052 28.0052 k = 0.4815 0.0321 0.6124 ( 1464 PWs) bands (ev): -53.9517 -53.9517 -26.1299 -26.1299 -25.1875 -25.1875 -25.1376 -25.1376 -3.1721 -3.1721 10.0037 10.0037 10.1257 10.1257 10.3853 10.3853 16.8743 16.8743 17.3243 17.3243 18.5148 18.5148 18.5979 18.5979 19.5648 19.5648 27.9609 27.9609 k = 0.4769 0.0401 0.6124 ( 1464 PWs) bands (ev): -53.9517 -53.9517 -26.1298 -26.1298 -25.1880 -25.1880 -25.1368 -25.1368 -3.1729 -3.1729 9.9830 9.9830 10.1170 10.1170 10.4213 10.4213 16.8167 16.8167 17.3780 17.3780 18.5148 18.5148 18.6023 18.6023 19.5620 19.5620 27.9181 27.9181 k = 0.4722 0.0481 0.6124 ( 1464 PWs) bands (ev): -53.9518 -53.9518 -26.1298 -26.1298 -25.1886 -25.1886 -25.1359 -25.1359 -3.1739 -3.1739 9.9631 9.9631 10.1062 10.1062 10.4597 10.4597 16.7595 16.7595 17.4307 17.4307 18.5144 18.5144 18.6084 18.6084 19.5584 19.5584 27.8767 27.8767 k = 0.4676 0.0561 0.6124 ( 1463 PWs) bands (ev): -53.9515 -53.9515 -26.1297 -26.1297 -25.1892 -25.1892 -25.1348 -25.1348 -3.1750 -3.1750 9.9441 9.9441 10.0944 10.0944 10.4993 10.4993 16.7041 16.7041 17.4826 17.4826 18.5133 18.5133 18.6172 18.6172 19.5541 19.5541 27.8368 27.8368 k = 0.4630 0.0642 0.6124 ( 1465 PWs) bands (ev): -53.9521 -53.9521 -26.1297 -26.1297 -25.1899 -25.1899 -25.1338 -25.1338 -3.1762 -3.1762 9.9260 9.9260 10.0820 10.0820 10.5392 10.5392 16.6459 16.6459 17.5333 17.5333 18.5096 18.5096 18.6255 18.6255 19.5493 19.5493 27.7986 27.7986 k = 0.4583 0.0722 0.6124 ( 1469 PWs) bands (ev): -53.9532 -53.9532 -26.1298 -26.1298 -25.1908 -25.1908 -25.1328 -25.1328 -3.1774 -3.1774 9.9088 9.9088 10.0695 10.0695 10.5791 10.5791 16.5896 16.5896 17.5809 17.5809 18.5036 18.5036 18.6330 18.6330 19.5421 19.5421 27.7616 27.7616 k = 0.4537 0.0802 0.6124 ( 1467 PWs) bands (ev): -53.9527 -53.9527 -26.1296 -26.1296 -25.1915 -25.1915 -25.1315 -25.1315 -3.1788 -3.1788 9.8926 9.8926 10.0571 10.0571 10.6189 10.6189 16.5361 16.5361 17.6298 17.6298 18.5029 18.5029 18.6472 18.6472 19.5359 19.5359 27.7267 27.7267 k = 0.4491 0.0882 0.6124 ( 1469 PWs) bands (ev): -53.9533 -53.9533 -26.1296 -26.1296 -25.1923 -25.1923 -25.1304 -25.1304 -3.1801 -3.1801 9.8771 9.8771 10.0449 10.0449 10.6578 10.6578 16.4835 16.4835 17.6741 17.6741 18.4976 18.4976 18.6619 18.6619 19.5259 19.5259 27.6927 27.6927 k = 0.4444 0.0962 0.6124 ( 1468 PWs) bands (ev): -53.9531 -53.9531 -26.1295 -26.1295 -25.1930 -25.1930 -25.1291 -25.1291 -3.1815 -3.1815 9.8627 9.8627 10.0332 10.0332 10.6959 10.6959 16.4328 16.4328 17.7203 17.7203 18.4913 18.4913 18.6803 18.6803 19.5178 19.5178 27.6612 27.6612 k = 0.4398 0.1042 0.6124 ( 1468 PWs) bands (ev): -53.9532 -53.9532 -26.1295 -26.1295 -25.1937 -25.1937 -25.1279 -25.1279 -3.1829 -3.1829 9.8493 9.8493 10.0220 10.0220 10.7327 10.7327 16.3838 16.3838 17.7653 17.7653 18.4839 18.4839 18.6981 18.6981 19.5083 19.5083 27.6315 27.6315 k = 0.4352 0.1123 0.6124 ( 1472 PWs) bands (ev): -53.9543 -53.9543 -26.1296 -26.1296 -25.1948 -25.1948 -25.1266 -25.1266 -3.1842 -3.1842 9.8365 9.8365 10.0113 10.0113 10.7680 10.7680 16.3394 16.3394 17.8021 17.8021 18.4719 18.4719 18.7138 18.7138 19.4950 19.4950 27.6024 27.6024 k = 0.4306 0.1203 0.6124 ( 1470 PWs) bands (ev): -53.9539 -53.9539 -26.1294 -26.1294 -25.1954 -25.1954 -25.1253 -25.1253 -3.1855 -3.1855 9.8249 9.8249 10.0012 10.0012 10.8022 10.8022 16.2953 16.2953 17.8449 17.8449 18.4624 18.4624 18.7336 18.7336 19.4886 19.4886 27.5766 27.5766 k = 0.4259 0.1283 0.6124 ( 1470 PWs) bands (ev): -53.9539 -53.9539 -26.1294 -26.1294 -25.1961 -25.1961 -25.1242 -25.1242 -3.1868 -3.1868 9.8142 9.8142 9.9917 9.9917 10.8344 10.8344 16.2527 16.2527 17.8858 17.8858 18.4518 18.4518 18.7540 18.7540 19.4770 19.4770 27.5526 27.5526 k = 0.4213 0.1363 0.6124 ( 1470 PWs) bands (ev): -53.9540 -53.9540 -26.1293 -26.1293 -25.1967 -25.1967 -25.1231 -25.1231 -3.1880 -3.1880 9.8045 9.8045 9.9830 9.9830 10.8644 10.8644 16.2133 16.2133 17.9254 17.9254 18.4400 18.4400 18.7747 18.7747 19.4647 19.4647 27.5305 27.5305 k = 0.4167 0.1443 0.6124 ( 1476 PWs) bands (ev): -53.9557 -53.9557 -26.1295 -26.1295 -25.1976 -25.1976 -25.1224 -25.1224 -3.1892 -3.1892 9.7956 9.7956 9.9749 9.9749 10.8917 10.8917 16.1746 16.1746 17.9626 17.9626 18.4207 18.4207 18.7928 18.7928 19.4466 19.4466 27.5104 27.5104 k = 0.4120 0.1524 0.6124 ( 1473 PWs) bands (ev): -53.9550 -53.9550 -26.1294 -26.1294 -25.1981 -25.1981 -25.1213 -25.1213 -3.1902 -3.1902 9.7877 9.7877 9.9676 9.9676 10.9172 10.9172 16.1422 16.1422 18.0028 18.0028 18.4076 18.4076 18.8152 18.8152 19.4354 19.4354 27.4928 27.4928 k = 0.4074 0.1604 0.6124 ( 1473 PWs) bands (ev): -53.9550 -53.9550 -26.1293 -26.1293 -25.1985 -25.1985 -25.1204 -25.1204 -3.1911 -3.1911 9.7808 9.7808 9.9611 9.9611 10.9401 10.9401 16.1123 16.1123 18.0382 18.0382 18.3925 18.3925 18.8347 18.8347 19.4230 19.4230 27.4767 27.4767 k = 0.4028 0.1684 0.6124 ( 1473 PWs) bands (ev): -53.9551 -53.9551 -26.1293 -26.1293 -25.1990 -25.1990 -25.1197 -25.1197 -3.1920 -3.1920 9.7747 9.7747 9.9554 9.9554 10.9603 10.9603 16.0861 16.0861 18.0720 18.0720 18.3762 18.3762 18.8531 18.8531 19.4111 19.4111 27.4627 27.4627 k = 0.3981 0.1764 0.6124 ( 1475 PWs) bands (ev): -53.9556 -53.9556 -26.1294 -26.1294 -25.1994 -25.1994 -25.1191 -25.1191 -3.1927 -3.1927 9.7695 9.7695 9.9506 9.9506 10.9776 10.9776 16.0630 16.0630 18.1002 18.1002 18.3585 18.3585 18.8694 18.8694 19.3996 19.3996 27.4506 27.4506 k = 0.3935 0.1844 0.6124 ( 1479 PWs) bands (ev): -53.9567 -53.9567 -26.1295 -26.1295 -25.1998 -25.1998 -25.1189 -25.1189 -3.1933 -3.1933 9.7653 9.7653 9.9465 9.9465 10.9919 10.9919 16.0414 16.0414 18.1273 18.1273 18.3385 18.3385 18.8831 18.8831 19.3879 19.3879 27.4408 27.4408 k = 0.3889 0.1925 0.6124 ( 1476 PWs) bands (ev): -53.9560 -53.9560 -26.1294 -26.1294 -25.2000 -25.2000 -25.1183 -25.1183 -3.1938 -3.1938 9.7621 9.7621 9.9435 9.9435 11.0034 11.0034 16.0285 16.0285 18.1571 18.1571 18.3213 18.3213 18.8963 18.8963 19.3819 19.3819 27.4333 27.4333 k = 0.3843 0.2005 0.6124 ( 1476 PWs) bands (ev): -53.9560 -53.9560 -26.1293 -26.1293 -25.2001 -25.2001 -25.1180 -25.1180 -3.1941 -3.1941 9.7598 9.7598 9.9413 9.9413 11.0115 11.0115 16.0179 16.0179 18.1827 18.1827 18.3025 18.3025 18.9053 18.9053 19.3755 19.3755 27.4279 27.4279 k = 0.3796 0.2085 0.6124 ( 1478 PWs) bands (ev): -53.9565 -53.9565 -26.1294 -26.1294 -25.2004 -25.2004 -25.1178 -25.1178 -3.1944 -3.1944 9.7583 9.7583 9.9399 9.9399 11.0164 11.0164 16.0115 16.0115 18.2011 18.2011 18.2840 18.2840 18.9093 18.9093 19.3714 19.3714 27.4242 27.4243 k = 0.3750 0.2165 0.6124 ( 1480 PWs) bands (ev): -53.9571 -53.9571 -26.1295 -26.1295 -25.2005 -25.2005 -25.1179 -25.1179 -3.1944 -3.1944 9.7578 9.7578 9.9394 9.9394 11.0179 11.0179 16.0091 16.0091 18.2093 18.2093 18.2741 18.2741 18.9108 18.9108 19.3676 19.3676 27.4230 27.4230 k = 0.3750 0.2165 0.6124 ( 1480 PWs) bands (ev): -53.9571 -53.9571 -26.1295 -26.1295 -25.2005 -25.2005 -25.1179 -25.1179 -3.1944 -3.1944 9.7578 9.7578 9.9394 9.9394 11.0179 11.0179 16.0091 16.0091 18.2093 18.2093 18.2741 18.2741 18.9108 18.9108 19.3676 19.3676 27.4230 27.4230 k = 0.3704 0.2138 0.6048 ( 1476 PWs) bands (ev): -53.9562 -53.9562 -26.1290 -26.1290 -25.2001 -25.2001 -25.1173 -25.1173 -3.1851 -3.1851 9.7785 9.7785 9.8636 9.8636 10.9838 10.9838 16.1007 16.1007 18.1893 18.1893 18.2603 18.2603 18.9150 18.9150 19.4451 19.4451 27.4500 27.4500 k = 0.3657 0.2112 0.5973 ( 1476 PWs) bands (ev): -53.9563 -53.9563 -26.1286 -26.1286 -25.2000 -25.2000 -25.1166 -25.1166 -3.1762 -3.1762 9.7876 9.7876 9.8018 9.8018 10.9505 10.9505 16.1923 16.1923 18.1666 18.1666 18.2394 18.2394 18.9152 18.9152 19.5214 19.5214 27.4777 27.4777 k = 0.3611 0.2085 0.5897 ( 1476 PWs) bands (ev): -53.9565 -53.9565 -26.1283 -26.1283 -25.2000 -25.2000 -25.1158 -25.1158 -3.1677 -3.1677 9.7170 9.7170 9.8228 9.8228 10.9181 10.9181 16.2836 16.2836 18.1431 18.1431 18.2178 18.2178 18.9145 18.9145 19.5971 19.5971 27.5067 27.5067 k = 0.3565 0.2058 0.5821 ( 1480 PWs) bands (ev): -53.9578 -53.9578 -26.1280 -26.1280 -25.2002 -25.2002 -25.1149 -25.1149 -3.1597 -3.1597 9.6472 9.6472 9.8459 9.8459 10.8866 10.8866 16.3682 16.3682 18.1188 18.1188 18.1945 18.1945 18.9109 18.9109 19.6712 19.6712 27.5362 27.5362 k = 0.3519 0.2031 0.5746 ( 1476 PWs) bands (ev): -53.9570 -53.9570 -26.1274 -26.1274 -25.1999 -25.1999 -25.1137 -25.1137 -3.1522 -3.1522 9.5800 9.5800 9.8700 9.8700 10.8567 10.8567 16.4623 16.4623 18.0940 18.0940 18.1717 18.1717 18.9099 18.9099 19.7490 19.7490 27.5585 27.5585 k = 0.3472 0.2005 0.5670 ( 1476 PWs) bands (ev): -53.9572 -53.9572 -26.1269 -26.1269 -25.1998 -25.1998 -25.1125 -25.1125 -3.1454 -3.1454 9.5154 9.5154 9.8950 9.8950 10.8275 10.8275 16.5518 16.5518 18.0685 18.0685 18.1481 18.1481 18.9057 18.9057 19.8209 19.8209 27.4483 27.4483 k = 0.3426 0.1978 0.5595 ( 1478 PWs) bands (ev): -53.9580 -53.9580 -26.1264 -26.1264 -25.1997 -25.1997 -25.1114 -25.1114 -3.1393 -3.1393 9.4535 9.4535 9.9208 9.9208 10.7992 10.7992 16.6398 16.6398 18.0424 18.0424 18.1237 18.1237 18.8983 18.8983 19.8880 19.8880 27.3056 27.3056 k = 0.3380 0.1951 0.5519 ( 1484 PWs) bands (ev): -53.9599 -53.9599 -26.1261 -26.1261 -25.1999 -25.1999 -25.1102 -25.1102 -3.1340 -3.1340 9.3943 9.3943 9.9475 9.9475 10.7719 10.7719 16.7235 16.7235 18.0151 18.0151 18.0948 18.0948 18.8898 18.8898 19.9495 19.9495 27.1573 27.1573 k = 0.3333 0.1925 0.5443 ( 1484 PWs) bands (ev): -53.9602 -53.9602 -26.1254 -26.1254 -25.1997 -25.1997 -25.1086 -25.1086 -3.1294 -3.1294 9.3383 9.3383 9.9752 9.9752 10.7466 10.7466 16.8096 16.8096 17.9877 17.9877 18.0691 18.0691 18.8824 18.8824 20.0155 20.0155 27.0082 27.0082 k = 0.3287 0.1898 0.5368 ( 1484 PWs) bands (ev): -53.9606 -53.9606 -26.1247 -26.1247 -25.1995 -25.1995 -25.1071 -25.1071 -3.1258 -3.1258 9.2855 9.2855 10.0037 10.0037 10.7228 10.7228 16.8942 16.8942 17.9597 17.9597 18.0428 18.0428 18.8739 18.8739 20.0792 20.0792 26.8581 26.8581 k = 0.3241 0.1871 0.5292 ( 1480 PWs) bands (ev): -53.9599 -53.9599 -26.1238 -26.1238 -25.1990 -25.1990 -25.1052 -25.1052 -3.1230 -3.1230 9.2360 9.2360 10.0335 10.0335 10.7009 10.7009 16.9772 16.9772 17.9340 17.9340 18.0198 18.0198 18.8645 18.8645 20.1447 20.1447 26.7080 26.7080 k = 0.3194 0.1844 0.5217 ( 1480 PWs) bands (ev): -53.9602 -53.9602 -26.1230 -26.1230 -25.1986 -25.1986 -25.1035 -25.1035 -3.1212 -3.1212 9.1898 9.1898 10.0638 10.0638 10.6802 10.6802 17.0580 17.0580 17.9049 17.9049 17.9921 17.9921 18.8541 18.8541 20.2029 20.2029 26.5578 26.5578 k = 0.3148 0.1818 0.5141 ( 1472 PWs) bands (ev): -53.9586 -53.9586 -26.1219 -26.1219 -25.1979 -25.1979 -25.1011 -25.1011 -3.1205 -3.1205 9.1472 9.1472 10.0953 10.0953 10.6615 10.6615 17.1403 17.1403 17.8859 17.8859 17.9660 17.9660 18.8455 18.8455 20.2622 20.2622 26.4092 26.4092 k = 0.3102 0.1791 0.5065 ( 1478 PWs) bands (ev): -53.9606 -53.9606 -26.1212 -26.1212 -25.1977 -25.1977 -25.0993 -25.0993 -3.1209 -3.1209 9.1075 9.1075 10.1274 10.1274 10.6440 10.6440 17.2059 17.2059 17.8555 17.8555 17.9360 17.9360 18.8314 18.8314 20.3118 20.3118 26.2573 26.2573 k = 0.3056 0.1764 0.4990 ( 1478 PWs) bands (ev): -53.9610 -53.9610 -26.1202 -26.1202 -25.1970 -25.1970 -25.0974 -25.0974 -3.1224 -3.1224 9.0719 9.0719 10.1605 10.1605 10.6283 10.6283 17.2788 17.2788 17.8248 17.8248 17.9066 17.9066 18.8184 18.8184 20.3603 20.3603 26.1093 26.1093 k = 0.3009 0.1737 0.4914 ( 1472 PWs) bands (ev): -53.9600 -53.9600 -26.1189 -26.1189 -25.1959 -25.1959 -25.0952 -25.0952 -3.1250 -3.1250 9.0404 9.0404 10.1950 10.1950 10.6148 10.6148 17.3522 17.3522 17.7958 17.7958 17.8836 17.8836 18.8049 18.8049 20.4075 20.4075 25.9636 25.9636 k = 0.2963 0.1711 0.4838 ( 1476 PWs) bands (ev): -53.9615 -53.9615 -26.1179 -26.1179 -25.1952 -25.1952 -25.0933 -25.0933 -3.1289 -3.1289 9.0119 9.0119 10.2296 10.2296 10.6027 10.6027 17.4186 17.4186 17.7635 17.7635 17.8472 17.8472 18.7876 18.7876 20.4484 20.4484 25.8178 25.8178 k = 0.2917 0.1684 0.4763 ( 1476 PWs) bands (ev): -53.9621 -53.9621 -26.1166 -26.1166 -25.1942 -25.1942 -25.0912 -25.0912 -3.1339 -3.1339 8.9877 8.9877 10.2653 10.2653 10.5925 10.5925 17.4815 17.4815 17.7314 17.7314 17.8164 17.8164 18.7723 18.7723 20.4854 20.4854 25.6734 25.6734 k = 0.2870 0.1657 0.4687 ( 1476 PWs) bands (ev): -53.9626 -53.9626 -26.1153 -26.1153 -25.1930 -25.1930 -25.0891 -25.0891 -3.1403 -3.1403 8.9676 8.9676 10.3020 10.3020 10.5842 10.5842 17.5403 17.5403 17.6989 17.6989 17.7854 17.7854 18.7563 18.7563 20.5183 20.5183 25.5304 25.5304 k = 0.2824 0.1630 0.4612 ( 1472 PWs) bands (ev): -53.9622 -53.9622 -26.1138 -26.1138 -25.1916 -25.1916 -25.0868 -25.0868 -3.1479 -3.1479 8.9514 8.9514 10.3398 10.3398 10.5783 10.5783 17.5945 17.5945 17.6700 17.6700 17.7572 17.7572 18.7399 18.7399 20.5516 20.5516 25.3890 25.3890 k = 0.2778 0.1604 0.4536 ( 1472 PWs) bands (ev): -53.9628 -53.9628 -26.1123 -26.1123 -25.1902 -25.1902 -25.0847 -25.0847 -3.1568 -3.1568 8.9392 8.9392 10.3782 10.3782 10.5738 10.5738 17.6368 17.6368 17.6416 17.6416 17.7291 17.7291 18.7227 18.7227 20.5758 20.5758 25.2492 25.2492 k = 0.2731 0.1577 0.4460 ( 1472 PWs) bands (ev): -53.9634 -53.9634 -26.1108 -26.1108 -25.1887 -25.1887 -25.0825 -25.0825 -3.1670 -3.1670 8.9311 8.9311 10.4175 10.4175 10.5714 10.5714 17.6033 17.6033 17.6654 17.6654 17.7193 17.7193 18.7050 18.7050 20.5955 20.5955 25.1111 25.1111 k = 0.2685 0.1550 0.4385 ( 1472 PWs) bands (ev): -53.9641 -53.9641 -26.1091 -26.1091 -25.1870 -25.1870 -25.0803 -25.0803 -3.1785 -3.1785 8.9271 8.9271 10.4576 10.4576 10.5709 10.5709 17.5696 17.5696 17.6464 17.6464 17.7477 17.7477 18.6867 18.6867 20.6105 20.6105 24.9747 24.9747 k = 0.2639 0.1524 0.4309 ( 1472 PWs) bands (ev): -53.9647 -53.9647 -26.1074 -26.1074 -25.1852 -25.1852 -25.0782 -25.0782 -3.1913 -3.1913 8.9272 8.9272 10.4986 10.4986 10.5725 10.5725 17.5357 17.5357 17.6158 17.6158 17.7825 17.7825 18.6679 18.6679 20.6209 20.6209 24.8401 24.8401 k = 0.2593 0.1497 0.4234 ( 1468 PWs) bands (ev): -53.9644 -53.9644 -26.1055 -26.1055 -25.1831 -25.1831 -25.0758 -25.0758 -3.2054 -3.2054 8.9316 8.9316 10.5404 10.5404 10.5763 10.5763 17.5070 17.5070 17.5850 17.5850 17.8156 17.8156 18.6499 18.6499 20.6273 20.6273 24.7077 24.7077 k = 0.2546 0.1470 0.4158 ( 1464 PWs) bands (ev): -53.9640 -53.9640 -26.1034 -26.1034 -25.1807 -25.1807 -25.0735 -25.0735 -3.2207 -3.2207 8.9399 8.9399 10.5797 10.5797 10.5862 10.5862 17.4732 17.4732 17.5527 17.5527 17.8463 17.8463 18.6304 18.6304 20.6343 20.6343 24.5770 24.5770 k = 0.2500 0.1443 0.4082 ( 1464 PWs) bands (ev): -53.9647 -53.9647 -26.1014 -26.1014 -25.1785 -25.1785 -25.0713 -25.0713 -3.2374 -3.2374 8.9524 8.9524 10.5899 10.5899 10.6271 10.6271 17.4387 17.4387 17.5186 17.5186 17.8694 17.8694 18.6098 18.6098 20.6301 20.6301 24.4476 24.4476 k = 0.2454 0.1417 0.4007 ( 1464 PWs) bands (ev): -53.9654 -53.9654 -26.0993 -26.0993 -25.1762 -25.1762 -25.0691 -25.0691 -3.2553 -3.2553 8.9690 8.9690 10.5997 10.5997 10.6711 10.6711 17.4041 17.4041 17.4841 17.4841 17.8879 17.8879 18.5884 18.5884 20.6210 20.6210 24.3198 24.3198 k = 0.2407 0.1390 0.3931 ( 1464 PWs) bands (ev): -53.9662 -53.9662 -26.0972 -26.0972 -25.1737 -25.1737 -25.0670 -25.0670 -3.2744 -3.2744 8.9897 8.9897 10.6115 10.6115 10.7160 10.7160 17.3694 17.3694 17.4494 17.4494 17.9017 17.9017 18.5663 18.5663 20.6071 20.6071 24.1937 24.1937 k = 0.2361 0.1363 0.3856 ( 1460 PWs) bands (ev): -53.9659 -53.9659 -26.0948 -26.0948 -25.1707 -25.1707 -25.0648 -25.0648 -3.2947 -3.2947 9.0147 9.0147 10.6256 10.6256 10.7617 10.7617 17.3348 17.3348 17.4152 17.4152 17.9194 17.9194 18.5433 18.5433 20.5905 20.5905 24.0699 24.0699 k = 0.2315 0.1336 0.3780 ( 1458 PWs) bands (ev): -53.9662 -53.9662 -26.0924 -26.0924 -25.1678 -25.1678 -25.0626 -25.0626 -3.3161 -3.3161 9.0437 9.0437 10.6415 10.6415 10.8085 10.8085 17.3002 17.3002 17.3832 17.3832 17.9243 17.9243 18.5202 18.5202 20.5670 20.5670 23.9467 23.9467 k = 0.2269 0.1310 0.3704 ( 1464 PWs) bands (ev): -53.9685 -53.9685 -26.0902 -26.0902 -25.1651 -25.1651 -25.0609 -25.0609 -3.3387 -3.3387 9.0762 9.0762 10.6594 10.6594 10.8554 10.8554 17.2582 17.2582 17.3471 17.3471 17.9210 17.9210 18.4914 18.4914 20.5379 20.5379 23.8238 23.8238 k = 0.2222 0.1283 0.3629 ( 1462 PWs) bands (ev): -53.9688 -53.9688 -26.0877 -26.0877 -25.1620 -25.1620 -25.0587 -25.0587 -3.3623 -3.3623 9.1132 9.1132 10.6794 10.6794 10.9034 10.9034 17.2236 17.2236 17.3138 17.3138 17.9175 17.9175 18.4674 18.4674 20.5051 20.5051 23.7034 23.7034 k = 0.2176 0.1256 0.3553 ( 1466 PWs) bands (ev): -53.9707 -53.9707 -26.0853 -26.0853 -25.1590 -25.1590 -25.0569 -25.0569 -3.3869 -3.3869 9.1536 9.1536 10.7006 10.7006 10.9514 10.9514 17.1870 17.1870 17.2724 17.2724 17.9175 17.9175 18.4374 18.4374 20.4614 20.4614 23.5839 23.5839 k = 0.2130 0.1230 0.3478 ( 1466 PWs) bands (ev): -53.9716 -53.9716 -26.0827 -26.0827 -25.1557 -25.1557 -25.0549 -25.0549 -3.4125 -3.4125 9.1981 9.1981 10.7247 10.7247 11.0002 11.0002 17.1526 17.1526 17.2371 17.2371 17.9061 17.9061 18.4086 18.4086 20.4194 20.4194 23.4651 23.4651 k = 0.2083 0.1203 0.3402 ( 1466 PWs) bands (ev): -53.9725 -53.9725 -26.0800 -26.0800 -25.1523 -25.1523 -25.0529 -25.0529 -3.4389 -3.4389 9.2463 9.2463 10.7508 10.7508 11.0495 11.0495 17.1183 17.1183 17.2019 17.2019 17.8913 17.8913 18.3785 18.3785 20.3732 20.3732 23.3473 23.3473 k = 0.2037 0.1176 0.3326 ( 1478 PWs) bands (ev): -53.9766 -53.9766 -26.0778 -26.0778 -25.1494 -25.1494 -25.0515 -25.0515 -3.4662 -3.4662 9.2974 9.2974 10.7777 10.7777 11.0988 11.0988 17.0819 17.0819 17.1596 17.1596 17.8694 17.8694 18.3374 18.3374 20.3145 20.3145 23.2291 23.2291 k = 0.1991 0.1149 0.3251 ( 1478 PWs) bands (ev): -53.9775 -53.9775 -26.0750 -26.0750 -25.1458 -25.1458 -25.0495 -25.0495 -3.4942 -3.4942 9.3530 9.3530 10.8078 10.8078 11.1491 11.1491 17.0480 17.0480 17.1246 17.1246 17.8483 17.8483 18.3046 18.3046 20.2599 20.2599 23.1124 23.1124 k = 0.1944 0.1123 0.3175 ( 1474 PWs) bands (ev): -53.9774 -53.9774 -26.0720 -26.0720 -25.1418 -25.1418 -25.0476 -25.0476 -3.5229 -3.5229 9.4123 9.4123 10.8399 10.8399 11.2003 11.2003 17.0147 17.0147 17.0943 17.0943 17.8275 17.8275 18.2714 18.2714 20.2020 20.2020 22.9961 22.9961 k = 0.1898 0.1096 0.3100 ( 1474 PWs) bands (ev): -53.9784 -53.9784 -26.0692 -26.0692 -25.1380 -25.1380 -25.0457 -25.0457 -3.5523 -3.5523 9.4748 9.4748 10.8739 10.8739 11.2513 11.2513 16.9814 16.9814 17.0596 17.0596 17.8008 17.8008 18.2365 18.2365 20.1398 20.1398 22.8800 22.8800 k = 0.1852 0.1069 0.3024 ( 1466 PWs) bands (ev): -53.9773 -53.9773 -26.0660 -26.0660 -25.1339 -25.1339 -25.0433 -25.0433 -3.5822 -3.5822 9.5409 9.5409 10.9111 10.9111 11.3028 11.3028 16.9555 16.9555 17.0263 17.0263 17.7699 17.7699 18.2074 18.2074 20.0820 20.0820 22.7645 22.7645 k = 0.1806 0.1042 0.2948 ( 1466 PWs) bands (ev): -53.9783 -53.9783 -26.0631 -26.0631 -25.1299 -25.1299 -25.0415 -25.0415 -3.6125 -3.6125 9.6099 9.6099 10.9489 10.9489 11.3542 11.3542 16.9227 16.9227 16.9920 16.9920 17.7380 17.7380 18.1710 18.1710 20.0129 20.0129 22.6485 22.6485 k = 0.1759 0.1016 0.2873 ( 1470 PWs) bands (ev): -53.9804 -53.9804 -26.0603 -26.0603 -25.1262 -25.1262 -25.0398 -25.0398 -3.6433 -3.6433 9.6819 9.6819 10.9883 10.9883 11.4058 11.4058 16.8901 16.8901 16.9567 16.9567 17.6963 17.6963 18.1343 18.1343 19.9386 19.9386 22.5326 22.5326 k = 0.1713 0.0989 0.2797 ( 1464 PWs) bands (ev): -53.9798 -53.9798 -26.0571 -26.0571 -25.1217 -25.1217 -25.0379 -25.0379 -3.6744 -3.6744 9.7575 9.7575 11.0299 11.0299 11.4582 11.4582 16.8603 16.8603 16.9271 16.9271 17.6641 17.6641 18.0983 18.0983 19.8660 19.8660 22.4167 22.4167 k = 0.1667 0.0962 0.2722 ( 1464 PWs) bands (ev): -53.9809 -53.9809 -26.0541 -26.0541 -25.1175 -25.1175 -25.0363 -25.0363 -3.7057 -3.7057 9.8356 9.8356 11.0731 11.0731 11.5100 11.5100 16.8288 16.8288 16.8939 16.8939 17.6249 17.6249 18.0615 18.0615 19.7877 19.7877 22.3003 22.3003 k = 0.1620 0.0936 0.2646 ( 1464 PWs) bands (ev): -53.9819 -53.9819 -26.0511 -26.0511 -25.1133 -25.1133 -25.0347 -25.0347 -3.7373 -3.7373 9.9165 9.9165 11.1179 11.1179 11.5618 11.5618 16.7977 16.7977 16.8612 16.8612 17.5835 17.5835 18.0250 18.0250 19.7069 19.7069 22.1838 22.1838 k = 0.1574 0.0909 0.2570 ( 1470 PWs) bands (ev): -53.9845 -53.9845 -26.0484 -26.0484 -25.1094 -25.1094 -25.0331 -25.0331 -3.7690 -3.7690 9.9999 9.9999 11.1640 11.1640 11.6134 11.6134 16.7668 16.7668 16.8263 16.8263 17.5293 17.5293 17.9887 17.9887 19.6212 19.6212 22.0668 22.0668 k = 0.1528 0.0882 0.2495 ( 1474 PWs) bands (ev): -53.9866 -53.9866 -26.0455 -26.0455 -25.1053 -25.1053 -25.0318 -25.0318 -3.8007 -3.8007 10.0860 10.0860 11.2112 11.2112 11.6649 11.6649 16.7345 16.7345 16.7934 16.7934 17.4838 17.4838 17.9512 17.9512 19.5303 19.5303 21.9496 21.9496 k = 0.1481 0.0855 0.2419 ( 1464 PWs) bands (ev): -53.9850 -53.9850 -26.0422 -26.0422 -25.1005 -25.1005 -25.0299 -25.0299 -3.8322 -3.8322 10.1747 10.1747 11.2621 11.2621 11.7170 11.7170 16.7094 16.7094 16.7689 16.7689 17.4368 17.4368 17.9198 17.9198 19.4523 19.4523 21.8326 21.8326 k = 0.1435 0.0829 0.2344 ( 1464 PWs) bands (ev): -53.9861 -53.9861 -26.0392 -26.0392 -25.0961 -25.0961 -25.0285 -25.0285 -3.8637 -3.8637 10.2654 10.2654 11.3131 11.3131 11.7680 11.7680 16.6804 16.6804 16.7382 16.7382 17.3883 17.3883 17.8854 17.8854 19.3629 19.3629 21.7151 21.7151 k = 0.1389 0.0802 0.2268 ( 1464 PWs) bands (ev): -53.9871 -53.9871 -26.0363 -26.0363 -25.0918 -25.0918 -25.0271 -25.0271 -3.8950 -3.8950 10.3582 10.3582 11.3655 11.3655 11.8188 11.8188 16.6520 16.6520 16.7081 16.7081 17.3386 17.3386 17.8516 17.8516 19.2719 19.2719 21.5975 21.5975 k = 0.1343 0.0775 0.2192 ( 1464 PWs) bands (ev): -53.9881 -53.9881 -26.0334 -26.0334 -25.0874 -25.0874 -25.0257 -25.0257 -3.9260 -3.9260 10.4529 10.4529 11.4191 11.4191 11.8690 11.8690 16.6242 16.6242 16.6786 16.6786 17.2879 17.2879 17.8184 17.8184 19.1797 19.1797 21.4798 21.4798 k = 0.1296 0.0748 0.2117 ( 1464 PWs) bands (ev): -53.9891 -53.9891 -26.0305 -26.0305 -25.0831 -25.0831 -25.0244 -25.0244 -3.9567 -3.9567 10.5493 10.5493 11.4740 11.4740 11.9188 11.9188 16.5972 16.5972 16.6498 16.6498 17.2365 17.2365 17.7860 17.7860 19.0864 19.0864 21.3623 21.3623 k = 0.1250 0.0722 0.2041 ( 1464 PWs) bands (ev): -53.9901 -53.9901 -26.0277 -26.0277 -25.0787 -25.0787 -25.0232 -25.0232 -3.9870 -3.9870 10.6473 10.6473 11.5299 11.5299 11.9679 11.9679 16.5708 16.5708 16.6218 16.6218 17.1845 17.1845 17.7541 17.7541 18.9922 18.9922 21.2450 21.2450 k = 0.1204 0.0695 0.1966 ( 1456 PWs) bands (ev): -53.9889 -53.9889 -26.0246 -26.0246 -25.0739 -25.0739 -25.0217 -25.0217 -4.0168 -4.0168 10.7468 10.7468 11.5880 11.5880 12.0167 12.0167 16.5467 16.5467 16.5975 16.5975 17.1363 17.1363 17.7248 17.7248 18.9073 18.9073 21.1281 21.1281 k = 0.1157 0.0668 0.1890 ( 1456 PWs) bands (ev): -53.9899 -53.9899 -26.0219 -26.0219 -25.0697 -25.0697 -25.0206 -25.0206 -4.0460 -4.0460 10.8474 10.8474 11.6457 11.6457 12.0644 12.0644 16.5218 16.5218 16.5708 16.5708 17.0838 17.0838 17.6941 17.6941 18.8119 18.8119 21.0119 21.0119 k = 0.1111 0.0642 0.1814 ( 1456 PWs) bands (ev): -53.9908 -53.9908 -26.0193 -26.0193 -25.0655 -25.0655 -25.0194 -25.0194 -4.0747 -4.0747 10.9489 10.9489 11.7042 11.7042 12.1112 12.1112 16.4976 16.4976 16.5450 16.5450 17.0315 17.0315 17.6639 17.6639 18.7164 18.7164 20.8965 20.8965 k = 0.1065 0.0615 0.1739 ( 1458 PWs) bands (ev): -53.9922 -53.9922 -26.0168 -26.0168 -25.0614 -25.0614 -25.0185 -25.0185 -4.1027 -4.1027 11.0513 11.0513 11.7626 11.7626 12.1569 12.1569 16.4732 16.4732 16.5185 16.5185 16.9822 16.9822 17.6340 17.6340 18.6161 18.6161 20.7820 20.7820 k = 0.1019 0.0588 0.1663 ( 1450 PWs) bands (ev): -53.9911 -53.9911 -26.0139 -26.0139 -25.0568 -25.0568 -25.0173 -25.0173 -4.1299 -4.1299 11.1542 11.1542 11.8229 11.8229 12.2020 12.2020 16.4514 16.4514 16.4978 16.4978 16.9371 16.9371 17.6067 17.6067 18.5281 18.5281 20.6691 20.6691 k = 0.0972 0.0561 0.1588 ( 1450 PWs) bands (ev): -53.9920 -53.9920 -26.0115 -26.0115 -25.0528 -25.0528 -25.0163 -25.0163 -4.1564 -4.1564 11.2572 11.2572 11.8826 11.8826 12.2456 12.2456 16.4297 16.4297 16.4744 16.4744 16.8858 16.8858 17.5779 17.5779 18.4334 18.4334 20.5576 20.5576 k = 0.0926 0.0535 0.1512 ( 1450 PWs) bands (ev): -53.9928 -53.9928 -26.0092 -26.0092 -25.0489 -25.0489 -25.0154 -25.0154 -4.1820 -4.1820 11.3601 11.3601 11.9425 11.9425 12.2880 12.2880 16.4088 16.4088 16.4520 16.4520 16.8354 16.8354 17.5494 17.5494 18.3397 18.3397 20.4481 20.4481 k = 0.0880 0.0508 0.1436 ( 1446 PWs) bands (ev): -53.9927 -53.9927 -26.0067 -26.0067 -25.0449 -25.0449 -25.0144 -25.0144 -4.2068 -4.2068 11.4629 11.4629 12.0019 12.0019 12.3293 12.3293 16.3920 16.3920 16.4329 16.4329 16.7895 16.7895 17.5217 17.5217 18.2458 18.2458 20.3409 20.3409 k = 0.0833 0.0481 0.1361 ( 1446 PWs) bands (ev): -53.9935 -53.9935 -26.0046 -26.0046 -25.0413 -25.0413 -25.0135 -25.0135 -4.2305 -4.2305 11.5648 11.5648 12.0614 12.0614 12.3690 12.3690 16.3728 16.3728 16.4123 16.4123 16.7408 16.7408 17.4939 17.4939 18.1546 18.1546 20.2362 20.2362 k = 0.0787 0.0454 0.1285 ( 1446 PWs) bands (ev): -53.9943 -53.9943 -26.0025 -26.0025 -25.0378 -25.0378 -25.0127 -25.0127 -4.2533 -4.2533 11.6657 11.6657 12.1202 12.1202 12.4071 12.4071 16.3545 16.3545 16.3926 16.3926 16.6934 16.6934 17.4665 17.4665 18.0653 18.0653 20.1345 20.1345 k = 0.0741 0.0428 0.1210 ( 1446 PWs) bands (ev): -53.9951 -53.9951 -26.0005 -26.0005 -25.0344 -25.0344 -25.0120 -25.0120 -4.2751 -4.2751 11.7651 11.7651 12.1783 12.1783 12.4437 12.4437 16.3372 16.3372 16.3740 16.3740 16.6474 16.6474 17.4395 17.4395 17.9781 17.9781 20.0360 20.0360 k = 0.0694 0.0401 0.1134 ( 1446 PWs) bands (ev): -53.9958 -53.9958 -25.9987 -25.9987 -25.0311 -25.0311 -25.0113 -25.0113 -4.2957 -4.2957 11.8628 11.8628 12.2354 12.2354 12.4786 12.4786 16.3207 16.3207 16.3563 16.3563 16.6028 16.6028 17.4129 17.4129 17.8934 17.8934 19.9412 19.9412 k = 0.0648 0.0374 0.1058 ( 1446 PWs) bands (ev): -53.9964 -53.9964 -25.9969 -25.9969 -25.0281 -25.0281 -25.0106 -25.0106 -4.3152 -4.3152 11.9581 11.9581 12.2911 12.2911 12.5117 12.5117 16.3052 16.3052 16.3397 16.3397 16.5598 16.5598 17.3868 17.3868 17.8115 17.8115 19.8505 19.8505 k = 0.0602 0.0347 0.0983 ( 1446 PWs) bands (ev): -53.9971 -53.9971 -25.9952 -25.9952 -25.0252 -25.0252 -25.0100 -25.0100 -4.3336 -4.3336 12.0508 12.0508 12.3452 12.3452 12.5430 12.5430 16.2907 16.2907 16.3241 16.3241 16.5186 16.5186 17.3613 17.3613 17.7328 17.7328 19.7642 19.7642 k = 0.0556 0.0321 0.0907 ( 1446 PWs) bands (ev): -53.9976 -53.9976 -25.9937 -25.9937 -25.0224 -25.0224 -25.0095 -25.0095 -4.3507 -4.3507 12.1401 12.1401 12.3973 12.3973 12.5725 12.5725 16.2772 16.2772 16.3095 16.3095 16.4793 16.4793 17.3365 17.3365 17.6576 17.6576 19.6827 19.6827 k = 0.0509 0.0294 0.0832 ( 1450 PWs) bands (ev): -53.9992 -53.9992 -25.9924 -25.9924 -25.0201 -25.0201 -25.0092 -25.0092 -4.3666 -4.3666 12.2256 12.2256 12.4469 12.4469 12.5999 12.5999 16.2646 16.2646 16.2958 16.2958 16.4420 16.4420 17.3097 17.3097 17.5790 17.5790 19.6063 19.6063 k = 0.0463 0.0267 0.0756 ( 1450 PWs) bands (ev): -53.9997 -53.9997 -25.9911 -25.9911 -25.0177 -25.0177 -25.0087 -25.0087 -4.3812 -4.3812 12.3066 12.3066 12.4942 12.4942 12.6253 12.6253 16.2531 16.2531 16.2832 16.2832 16.4070 16.4070 17.2867 17.2867 17.5120 17.5120 19.5354 19.5354 k = 0.0417 0.0241 0.0680 ( 1457 PWs) bands (ev): -54.0020 -54.0020 -25.9902 -25.9902 -25.0160 -25.0160 -25.0085 -25.0085 -4.3946 -4.3946 12.3824 12.3824 12.5382 12.5382 12.6486 12.6486 16.2404 16.2404 16.2671 16.2671 16.3736 16.3736 17.2627 17.2627 17.4418 17.4418 19.4701 19.4701 k = 0.0370 0.0214 0.0605 ( 1459 PWs) bands (ev): -54.0029 -54.0029 -25.9892 -25.9892 -25.0142 -25.0142 -25.0081 -25.0081 -4.4067 -4.4067 12.4525 12.4525 12.5792 12.5792 12.6699 12.6699 16.2300 16.2300 16.2548 16.2548 16.3415 16.3415 17.2421 17.2421 17.3846 17.3846 19.4111 19.4111 k = 0.0324 0.0187 0.0529 ( 1459 PWs) bands (ev): -54.0033 -54.0033 -25.9882 -25.9882 -25.0125 -25.0125 -25.0078 -25.0078 -4.4173 -4.4173 12.5160 12.5160 12.6166 12.6166 12.6892 12.6892 16.2215 16.2215 16.2446 16.2446 16.3150 16.3150 17.2233 17.2233 17.3329 17.3330 19.3586 19.3586 k = 0.0278 0.0160 0.0454 ( 1459 PWs) bands (ev): -54.0037 -54.0037 -25.9874 -25.9874 -25.0110 -25.0110 -25.0075 -25.0075 -4.4265 -4.4265 12.5720 12.5720 12.6502 12.6502 12.7064 12.7064 16.2140 16.2140 16.2348 16.2348 16.2921 16.2921 17.2063 17.2063 17.2873 17.2873 19.3127 19.3127 k = 0.0231 0.0134 0.0378 ( 1459 PWs) bands (ev): -54.0040 -54.0040 -25.9867 -25.9867 -25.0097 -25.0097 -25.0073 -25.0073 -4.4344 -4.4344 12.6194 12.6194 12.6799 12.6799 12.7217 12.7217 16.2077 16.2077 16.2251 16.2251 16.2735 16.2735 17.1915 17.1915 17.2479 17.2479 19.2735 19.2735 k = 0.0185 0.0107 0.0302 ( 1459 PWs) bands (ev): -54.0042 -54.0042 -25.9861 -25.9861 -25.0086 -25.0086 -25.0071 -25.0071 -4.4408 -4.4408 12.6571 12.6571 12.7061 12.7061 12.7350 12.7350 16.2025 16.2025 16.2156 16.2156 16.2594 16.2594 17.1790 17.1790 17.2152 17.2152 19.2413 19.2413 k = 0.0139 0.0080 0.0227 ( 1459 PWs) bands (ev): -54.0044 -54.0044 -25.9857 -25.9857 -25.0078 -25.0078 -25.0069 -25.0069 -4.4459 -4.4459 12.6842 12.6842 12.7286 12.7286 12.7461 12.7461 16.1985 16.1985 16.2068 16.2068 16.2496 16.2496 17.1690 17.1690 17.1895 17.1895 19.2161 19.2161 k = 0.0093 0.0053 0.0151 ( 1459 PWs) bands (ev): -54.0045 -54.0045 -25.9854 -25.9854 -25.0072 -25.0072 -25.0068 -25.0068 -4.4495 -4.4495 12.7016 12.7016 12.7466 12.7466 12.7548 12.7548 16.1956 16.1956 16.1996 16.1996 16.2433 16.2433 17.1618 17.1618 17.1709 17.1709 19.1981 19.1981 k = 0.0046 0.0027 0.0076 ( 1459 PWs) bands (ev): -54.0046 -54.0046 -25.9852 -25.9852 -25.0068 -25.0068 -25.0067 -25.0067 -4.4516 -4.4516 12.7111 12.7111 12.7583 12.7583 12.7604 12.7604 16.1939 16.1939 16.1949 16.1949 16.2398 16.2398 17.1574 17.1574 17.1597 17.1597 19.1873 19.1873 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -54.0046 -54.0046 -25.9851 -25.9851 -25.0067 -25.0067 -25.0067 -25.0067 -4.4524 -4.4524 12.7141 12.7141 12.7623 12.7623 12.7623 12.7623 16.1933 16.1933 16.1933 16.1933 16.2387 16.2387 17.1559 17.1559 17.1559 17.1559 19.1836 19.1836 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -54.0046 -54.0046 -25.9851 -25.9851 -25.0067 -25.0067 -25.0067 -25.0067 -4.4524 -4.4524 12.7141 12.7141 12.7623 12.7623 12.7623 12.7623 16.1933 16.1933 16.1933 16.1933 16.2387 16.2387 17.1559 17.1559 17.1559 17.1559 19.1836 19.1836 k = 0.0076 0.0044 0.0031 ( 1459 PWs) bands (ev): -54.0046 -54.0046 -25.9852 -25.9852 -25.0068 -25.0068 -25.0067 -25.0067 -4.4516 -4.4516 12.7111 12.7111 12.7586 12.7586 12.7600 12.7600 16.1944 16.1944 16.1944 16.1944 16.2398 16.2398 17.1585 17.1585 17.1586 17.1586 19.1873 19.1873 k = 0.0152 0.0087 0.0062 ( 1459 PWs) bands (ev): -54.0045 -54.0045 -25.9854 -25.9854 -25.0072 -25.0072 -25.0068 -25.0068 -4.4495 -4.4495 12.7020 12.7020 12.7478 12.7478 12.7531 12.7531 16.1977 16.1977 16.1977 16.1977 16.2431 16.2431 17.1664 17.1664 17.1665 17.1665 19.1981 19.1981 k = 0.0227 0.0131 0.0093 ( 1459 PWs) bands (ev): -54.0044 -54.0044 -25.9857 -25.9857 -25.0078 -25.0078 -25.0069 -25.0069 -4.4458 -4.4458 12.6859 12.6859 12.7309 12.7309 12.7417 12.7417 16.2031 16.2031 16.2033 16.2033 16.2486 16.2486 17.1794 17.1794 17.1796 17.1796 19.2162 19.2162 k = 0.0303 0.0175 0.0124 ( 1459 PWs) bands (ev): -54.0042 -54.0042 -25.9861 -25.9861 -25.0087 -25.0087 -25.0070 -25.0070 -4.4408 -4.4408 12.6617 12.6617 12.7096 12.7096 12.7259 12.7259 16.2106 16.2106 16.2110 16.2110 16.2562 16.2562 17.1974 17.1974 17.1979 17.1979 19.2413 19.2413 k = 0.0379 0.0219 0.0155 ( 1459 PWs) bands (ev): -54.0039 -54.0039 -25.9867 -25.9867 -25.0098 -25.0098 -25.0071 -25.0071 -4.4343 -4.4343 12.6282 12.6282 12.6852 12.6852 12.7059 12.7059 16.2200 16.2200 16.2207 16.2207 16.2658 16.2658 17.2205 17.2205 17.2211 17.2211 19.2733 19.2733 k = 0.0455 0.0262 0.0186 ( 1459 PWs) bands (ev): -54.0037 -54.0037 -25.9874 -25.9874 -25.0112 -25.0112 -25.0073 -25.0073 -4.4264 -4.4264 12.5855 12.5855 12.6583 12.6583 12.6818 12.6818 16.2313 16.2313 16.2325 16.2325 16.2772 16.2772 17.2485 17.2485 17.2493 17.2493 19.3119 19.3119 k = 0.0530 0.0306 0.0216 ( 1459 PWs) bands (ev): -54.0033 -54.0033 -25.9883 -25.9883 -25.0127 -25.0127 -25.0076 -25.0076 -4.4171 -4.4171 12.5344 12.5344 12.6288 12.6288 12.6539 12.6539 16.2442 16.2442 16.2462 16.2462 16.2905 16.2905 17.2812 17.2812 17.2823 17.2823 19.3570 19.3570 k = 0.0606 0.0350 0.0247 ( 1456 PWs) bands (ev): -54.0022 -54.0022 -25.9891 -25.9891 -25.0143 -25.0143 -25.0078 -25.0078 -4.4063 -4.4063 12.4759 12.4759 12.5965 12.5965 12.6223 12.6223 16.2617 16.2617 16.2625 16.2625 16.3081 16.3081 17.3186 17.3186 17.3199 17.3199 19.4084 19.4084 k = 0.0682 0.0394 0.0278 ( 1456 PWs) bands (ev): -54.0017 -54.0017 -25.9902 -25.9902 -25.0163 -25.0163 -25.0081 -25.0081 -4.3943 -4.3943 12.4106 12.4106 12.5613 12.5613 12.5874 12.5874 16.2784 16.2784 16.2789 16.2789 16.3245 16.3245 17.3601 17.3601 17.3618 17.3618 19.4655 19.4655 k = 0.0758 0.0437 0.0309 ( 1456 PWs) bands (ev): -54.0012 -54.0012 -25.9914 -25.9914 -25.0186 -25.0186 -25.0084 -25.0084 -4.3808 -4.3808 12.3391 12.3391 12.5233 12.5233 12.5494 12.5494 16.2957 16.2957 16.2977 16.2977 16.3424 16.3424 17.4059 17.4059 17.4078 17.4078 19.5281 19.5281 k = 0.0833 0.0481 0.0340 ( 1456 PWs) bands (ev): -54.0007 -54.0007 -25.9927 -25.9927 -25.0211 -25.0211 -25.0087 -25.0087 -4.3661 -4.3661 12.2622 12.2622 12.4826 12.4826 12.5086 12.5086 16.3142 16.3142 16.3181 16.3181 16.3616 16.3616 17.4555 17.4555 17.4577 17.4577 19.5959 19.5959 k = 0.0909 0.0525 0.0371 ( 1456 PWs) bands (ev): -54.0001 -54.0001 -25.9941 -25.9941 -25.0238 -25.0238 -25.0091 -25.0091 -4.3500 -4.3500 12.1801 12.1801 12.4397 12.4397 12.4654 12.4654 16.3324 16.3324 16.3382 16.3382 16.3806 16.3806 17.5117 17.5117 17.5141 17.5141 19.6684 19.6684 k = 0.0985 0.0569 0.0402 ( 1456 PWs) bands (ev): -53.9995 -53.9995 -25.9957 -25.9957 -25.0267 -25.0267 -25.0095 -25.0095 -4.3326 -4.3326 12.0937 12.0937 12.3945 12.3945 12.4197 12.4197 16.3532 16.3532 16.3614 16.3614 16.4023 16.4023 17.5684 17.5684 17.5710 17.5710 19.7454 19.7454 k = 0.1061 0.0612 0.0433 ( 1450 PWs) bands (ev): -53.9974 -53.9974 -25.9971 -25.9971 -25.0295 -25.0295 -25.0096 -25.0096 -4.3139 -4.3139 12.0034 12.0034 12.3475 12.3475 12.3724 12.3724 16.3751 16.3751 16.3864 16.3864 16.4255 16.4255 17.6356 17.6356 17.6383 17.6383 19.8267 19.8267 k = 0.1136 0.0656 0.0464 ( 1450 PWs) bands (ev): -53.9967 -53.9967 -25.9989 -25.9989 -25.0327 -25.0327 -25.0101 -25.0101 -4.2941 -4.2941 11.9095 11.9095 12.2986 12.2986 12.3229 12.3229 16.3977 16.3977 16.4123 16.4123 16.4497 16.4497 17.6983 17.6983 17.7011 17.7011 19.9113 19.9113 k = 0.1212 0.0700 0.0495 ( 1450 PWs) bands (ev): -53.9960 -53.9960 -26.0008 -26.0008 -25.0362 -25.0362 -25.0106 -25.0106 -4.2731 -4.2731 11.8125 11.8125 12.2482 12.2482 12.2720 12.2720 16.4211 16.4211 16.4394 16.4394 16.4750 16.4750 17.7637 17.7637 17.7666 17.7666 19.9993 19.9993 k = 0.1288 0.0744 0.0526 ( 1444 PWs) bands (ev): -53.9937 -53.9937 -26.0026 -26.0026 -25.0395 -25.0395 -25.0107 -25.0107 -4.2509 -4.2509 11.7128 11.7128 12.1967 12.1967 12.2199 12.2199 16.4465 16.4465 16.4712 16.4712 16.5043 16.5043 17.8352 17.8352 17.8382 17.8382 20.0903 20.0903 k = 0.1364 0.0787 0.0557 ( 1444 PWs) bands (ev): -53.9929 -53.9929 -26.0047 -26.0047 -25.0433 -25.0433 -25.0113 -25.0113 -4.2276 -4.2276 11.6108 11.6108 12.1439 12.1439 12.1665 12.1665 16.4713 16.4713 16.5006 16.5006 16.5321 16.5321 17.9052 17.9052 17.9082 17.9082 20.1837 20.1837 k = 0.1439 0.0831 0.0588 ( 1444 PWs) bands (ev): -53.9921 -53.9921 -26.0068 -26.0068 -25.0472 -25.0472 -25.0118 -25.0118 -4.2033 -4.2033 11.5068 11.5068 12.0902 12.0902 12.1123 12.1123 16.4968 16.4968 16.5312 16.5312 16.5612 16.5612 17.9771 17.9771 17.9802 17.9802 20.2792 20.2792 k = 0.1515 0.0875 0.0619 ( 1444 PWs) bands (ev): -53.9913 -53.9913 -26.0091 -26.0091 -25.0512 -25.0512 -25.0124 -25.0124 -4.1779 -4.1779 11.4011 11.4011 12.0358 12.0358 12.0573 12.0573 16.5230 16.5230 16.5628 16.5628 16.5914 16.5914 18.0508 18.0508 18.0539 18.0539 20.3766 20.3766 k = 0.1591 0.0919 0.0649 ( 1447 PWs) bands (ev): -53.9912 -53.9912 -26.0116 -26.0116 -25.0556 -25.0556 -25.0130 -25.0130 -4.1515 -4.1515 11.2936 11.2936 11.9808 11.9808 12.0018 12.0018 16.5456 16.5456 16.5951 16.5951 16.6218 16.6218 18.1254 18.1254 18.1285 18.1285 20.4751 20.4751 k = 0.1667 0.0962 0.0680 ( 1441 PWs) bands (ev): -53.9887 -53.9887 -26.0139 -26.0139 -25.0594 -25.0594 -25.0135 -25.0135 -4.1242 -4.1242 11.1857 11.1857 11.9258 11.9258 11.9463 11.9463 16.5770 16.5770 16.6300 16.6300 16.6560 16.6560 18.2057 18.2057 18.2087 18.2087 20.5757 20.5757 k = 0.1742 0.1006 0.0711 ( 1447 PWs) bands (ev): -53.9893 -53.9893 -26.0167 -26.0167 -25.0642 -25.0642 -25.0143 -25.0143 -4.0960 -4.0960 11.0763 11.0763 11.8702 11.8702 11.8901 11.8901 16.6010 16.6010 16.6613 16.6613 16.6860 16.6860 18.2816 18.2816 18.2846 18.2846 20.6759 20.6759 k = 0.1818 0.1050 0.0742 ( 1447 PWs) bands (ev): -53.9884 -53.9884 -26.0193 -26.0193 -25.0686 -25.0686 -25.0149 -25.0149 -4.0670 -4.0670 10.9668 10.9668 11.8146 11.8146 11.8340 11.8340 16.6300 16.6300 16.6965 16.6965 16.7204 16.7204 18.3600 18.3600 18.3630 18.3630 20.7769 20.7769 k = 0.1894 0.1093 0.0773 ( 1447 PWs) bands (ev): -53.9875 -53.9875 -26.0220 -26.0220 -25.0731 -25.0731 -25.0156 -25.0156 -4.0371 -4.0371 10.8569 10.8569 11.7591 11.7591 11.7780 11.7780 16.6598 16.6598 16.7326 16.7326 16.7557 16.7557 18.4393 18.4393 18.4421 18.4421 20.8780 20.8780 k = 0.1970 0.1137 0.0804 ( 1465 PWs) bands (ev): -53.9912 -53.9912 -26.0255 -26.0255 -25.0789 -25.0789 -25.0167 -25.0167 -4.0067 -4.0067 10.7455 10.7455 11.7031 11.7031 11.7215 11.7215 16.6817 16.6817 16.7609 16.7609 16.7831 16.7831 18.5093 18.5093 18.5124 18.5124 20.9780 20.9780 k = 0.2045 0.1181 0.0835 ( 1465 PWs) bands (ev): -53.9903 -53.9903 -26.0283 -26.0283 -25.0835 -25.0835 -25.0174 -25.0174 -3.9754 -3.9754 10.6355 10.6355 11.6480 11.6480 11.6659 11.6659 16.7132 16.7132 16.7982 16.7982 16.8198 16.8198 18.5894 18.5894 18.5923 18.5923 21.0782 21.0782 k = 0.2121 0.1225 0.0866 ( 1459 PWs) bands (ev): -53.9878 -53.9878 -26.0310 -26.0310 -25.0880 -25.0880 -25.0177 -25.0177 -3.9436 -3.9436 10.5259 10.5259 11.5935 11.5935 11.6110 11.6110 16.7480 16.7480 16.8420 16.8420 16.8628 16.8628 18.6701 18.6701 18.6730 18.6730 21.1776 21.1776 k = 0.2197 0.1268 0.0897 ( 1453 PWs) bands (ev): -53.9853 -53.9853 -26.0337 -26.0337 -25.0924 -25.0924 -25.0181 -25.0181 -3.9111 -3.9111 10.4169 10.4169 11.5398 11.5398 11.5569 11.5569 16.7817 16.7817 16.8843 16.8843 16.9046 16.9046 18.7543 18.7543 18.7570 18.7570 21.2761 21.2761 k = 0.2273 0.1312 0.0928 ( 1453 PWs) bands (ev): -53.9844 -53.9844 -26.0367 -26.0367 -25.0971 -25.0971 -25.0189 -25.0189 -3.8783 -3.8783 10.3084 10.3084 11.4863 11.4863 11.5029 11.5029 16.8161 16.8161 16.9233 16.9233 16.9433 16.9433 18.8346 18.8346 18.8371 18.8371 21.3725 21.3725 k = 0.2348 0.1356 0.0959 ( 1459 PWs) bands (ev): -53.9851 -53.9851 -26.0399 -26.0399 -25.1022 -25.1022 -25.0198 -25.0198 -3.8450 -3.8450 10.2007 10.2007 11.4328 11.4328 11.4490 11.4490 16.8512 16.8512 16.9606 16.9606 16.9804 16.9804 18.9085 18.9085 18.9110 18.9110 21.4669 21.4669 k = 0.2424 0.1400 0.0990 ( 1459 PWs) bands (ev): -53.9841 -53.9841 -26.0430 -26.0430 -25.1069 -25.1069 -25.0205 -25.0205 -3.8114 -3.8114 10.0942 10.0942 11.3807 11.3807 11.3965 11.3965 16.8876 16.8876 17.0004 17.0004 17.0199 17.0199 18.9881 18.9881 18.9904 18.9904 21.5592 21.5592 k = 0.2500 0.1443 0.1021 ( 1462 PWs) bands (ev): -53.9840 -53.9840 -26.0462 -26.0462 -25.1118 -25.1118 -25.0214 -25.0214 -3.7775 -3.7775 9.9886 9.9886 11.3295 11.3295 11.3449 11.3449 16.9246 16.9246 17.0370 17.0370 17.0565 17.0565 19.0667 19.0667 19.0688 19.0688 21.6489 21.6489 k = 0.2576 0.1487 0.1052 ( 1456 PWs) bands (ev): -53.9815 -53.9815 -26.0490 -26.0490 -25.1160 -25.1160 -25.0221 -25.0221 -3.7433 -3.7433 9.8853 9.8853 11.2793 11.2793 11.2944 11.2944 16.9722 16.9722 17.0779 17.0779 17.0978 17.0978 19.1459 19.1459 19.1479 19.1479 21.7371 21.7371 k = 0.2652 0.1531 0.1082 ( 1456 PWs) bands (ev): -53.9805 -53.9805 -26.0521 -26.0521 -25.1207 -25.1207 -25.0228 -25.0228 -3.7090 -3.7090 9.7827 9.7827 11.2300 11.2300 11.2447 11.2447 17.0113 17.0113 17.1182 17.1182 17.1381 17.1381 19.2236 19.2236 19.2254 19.2254 21.8208 21.8208 k = 0.2727 0.1575 0.1113 ( 1456 PWs) bands (ev): -53.9796 -53.9796 -26.0552 -26.0552 -25.1253 -25.1253 -25.0235 -25.0235 -3.6747 -3.6747 9.6817 9.6817 11.1818 11.1818 11.1962 11.1962 17.0514 17.0514 17.1585 17.1585 17.1785 17.1785 19.3004 19.3004 19.3021 19.3021 21.9009 21.9009 k = 0.2803 0.1618 0.1144 ( 1459 PWs) bands (ev): -53.9795 -53.9795 -26.0585 -26.0585 -25.1301 -25.1301 -25.0242 -25.0242 -3.6404 -3.6404 9.5817 9.5817 11.1347 11.1347 11.1488 11.1488 17.0869 17.0869 17.1987 17.1987 17.2185 17.2185 19.3761 19.3761 19.3775 19.3775 21.9771 21.9771 k = 0.2879 0.1662 0.1175 ( 1459 PWs) bands (ev): -53.9786 -53.9786 -26.0615 -26.0615 -25.1345 -25.1345 -25.0249 -25.0249 -3.6061 -3.6061 9.4844 9.4844 11.0888 11.0888 11.1025 11.1025 17.1286 17.1286 17.2389 17.2389 17.2589 17.2589 19.4508 19.4508 19.4521 19.4521 22.0493 22.0493 k = 0.2955 0.1706 0.1206 ( 1453 PWs) bands (ev): -53.9761 -53.9761 -26.0643 -26.0643 -25.1385 -25.1385 -25.0255 -25.0255 -3.5720 -3.5720 9.3901 9.3901 11.0442 11.0442 11.0577 11.0577 17.1775 17.1775 17.2802 17.2802 17.3007 17.3007 19.5264 19.5264 19.5275 19.5275 22.1181 22.1181 k = 0.3030 0.1750 0.1237 ( 1453 PWs) bands (ev): -53.9752 -53.9752 -26.0674 -26.0674 -25.1429 -25.1429 -25.0262 -25.0262 -3.5382 -3.5382 9.2970 9.2970 11.0008 11.0008 11.0140 11.0140 17.2205 17.2205 17.3198 17.3198 17.3407 17.3407 19.5985 19.5985 19.5994 19.5994 22.1814 22.1814 k = 0.3106 0.1793 0.1268 ( 1447 PWs) bands (ev): -53.9728 -53.9728 -26.0702 -26.0702 -25.1469 -25.1469 -25.0266 -25.0266 -3.5047 -3.5047 9.2062 9.2062 10.9595 10.9595 10.9724 10.9724 17.2649 17.2649 17.3621 17.3621 17.3833 17.3833 19.6739 19.6739 19.6746 19.6746 22.2400 22.2400 k = 0.3182 0.1837 0.1299 ( 1447 PWs) bands (ev): -53.9719 -53.9719 -26.0732 -26.0732 -25.1510 -25.1510 -25.0272 -25.0272 -3.4717 -3.4717 9.1178 9.1178 10.9187 10.9187 10.9314 10.9314 17.3090 17.3090 17.4009 17.4009 17.4226 17.4226 19.7429 19.7429 19.7435 19.7435 22.2935 22.2935 k = 0.3258 0.1881 0.1330 ( 1441 PWs) bands (ev): -53.9695 -53.9695 -26.0758 -26.0758 -25.1547 -25.1547 -25.0277 -25.0277 -3.4391 -3.4391 9.0322 9.0322 10.8799 10.8799 10.8923 10.8923 17.3553 17.3553 17.4418 17.4418 17.4641 17.4641 19.8146 19.8146 19.8149 19.8149 22.3425 22.3425 k = 0.3333 0.1925 0.1361 ( 1441 PWs) bands (ev): -53.9687 -53.9687 -26.0787 -26.0787 -25.1586 -25.1586 -25.0284 -25.0284 -3.4071 -3.4071 8.9490 8.9490 10.8420 10.8420 10.8542 10.8542 17.4001 17.4001 17.4792 17.4792 17.5024 17.5024 19.8801 19.8801 19.8802 19.8802 22.3856 22.3856 k = 0.3409 0.1968 0.1392 ( 1453 PWs) bands (ev): -53.9710 -53.9710 -26.0819 -26.0819 -25.1628 -25.1628 -25.0296 -25.0296 -3.3758 -3.3758 8.8686 8.8686 10.8044 10.8044 10.8164 10.8164 17.4424 17.4424 17.5079 17.5079 17.5328 17.5328 19.9360 19.9360 19.9361 19.9361 22.4234 22.4234 k = 0.3485 0.2012 0.1423 ( 1459 PWs) bands (ev): -53.9718 -53.9718 -26.0849 -26.0849 -25.1668 -25.1668 -25.0304 -25.0304 -3.3453 -3.3453 8.7905 8.7905 10.7693 10.7693 10.7810 10.7810 17.4847 17.4847 17.5391 17.5391 17.5658 17.5658 19.9941 19.9941 19.9943 19.9943 22.4558 22.4558 k = 0.3561 0.2056 0.1454 ( 1459 PWs) bands (ev): -53.9711 -53.9711 -26.0876 -26.0876 -25.1703 -25.1703 -25.0310 -25.0310 -3.3156 -3.3156 8.7159 8.7159 10.7358 10.7358 10.7474 10.7474 17.5284 17.5284 17.5737 17.5737 17.6024 17.6024 20.0532 20.0532 20.0536 20.0536 22.4832 22.4832 k = 0.3636 0.2099 0.1485 ( 1465 PWs) bands (ev): -53.9720 -53.9720 -26.0903 -26.0903 -25.1739 -25.1739 -25.0319 -25.0319 -3.2868 -3.2868 8.6444 8.6444 10.7036 10.7036 10.7150 10.7150 17.5695 17.5695 17.6020 17.6020 17.6347 17.6347 20.1067 20.1067 20.1072 20.1072 22.5055 22.5055 k = 0.3712 0.2143 0.1515 ( 1465 PWs) bands (ev): -53.9713 -53.9713 -26.0928 -26.0928 -25.1771 -25.1771 -25.0324 -25.0324 -3.2590 -3.2590 8.5762 8.5762 10.6733 10.6733 10.6845 10.6845 17.6105 17.6105 17.6343 17.6343 17.6711 17.6711 20.1612 20.1612 20.1618 20.1618 22.5230 22.5230 k = 0.3788 0.2187 0.1546 ( 1471 PWs) bands (ev): -53.9723 -53.9723 -26.0955 -26.0955 -25.1806 -25.1806 -25.0330 -25.0330 -3.2322 -3.2322 8.5104 8.5104 10.6445 10.6445 10.6555 10.6555 17.6436 17.6436 17.6631 17.6631 17.7029 17.7029 20.2118 20.2118 20.2125 20.2125 22.5356 22.5356 k = 0.3864 0.2231 0.1577 ( 1471 PWs) bands (ev): -53.9717 -53.9717 -26.0977 -26.0977 -25.1835 -25.1835 -25.0335 -25.0335 -3.2067 -3.2067 8.4489 8.4489 10.6175 10.6175 10.6283 10.6283 17.6805 17.6805 17.6927 17.6927 17.7392 17.7392 20.2613 20.2613 20.2621 20.2621 22.5443 22.5443 k = 0.3939 0.2274 0.1608 ( 1471 PWs) bands (ev): -53.9711 -53.9711 -26.0999 -26.0999 -25.1862 -25.1862 -25.0339 -25.0339 -3.1824 -3.1824 8.3908 8.3908 10.5921 10.5921 10.6028 10.6028 17.7145 17.7145 17.7209 17.7209 17.7758 17.7758 20.3081 20.3081 20.3091 20.3091 22.5492 22.5492 k = 0.4015 0.2318 0.1639 ( 1471 PWs) bands (ev): -53.9706 -53.9706 -26.1019 -26.1019 -25.1888 -25.1888 -25.0343 -25.0343 -3.1593 -3.1593 8.3363 8.3363 10.5684 10.5684 10.5790 10.5790 17.7457 17.7457 17.7476 17.7476 17.8125 17.8125 20.3523 20.3523 20.3534 20.3534 22.5506 22.5506 k = 0.4091 0.2362 0.1670 ( 1471 PWs) bands (ev): -53.9701 -53.9701 -26.1038 -26.1038 -25.1912 -25.1912 -25.0347 -25.0347 -3.1377 -3.1377 8.2855 8.2855 10.5463 10.5463 10.5568 10.5568 17.7727 17.7727 17.7741 17.7741 17.8488 17.8488 20.3936 20.3936 20.3948 20.3948 22.5491 22.5491 k = 0.4167 0.2406 0.1701 ( 1471 PWs) bands (ev): -53.9696 -53.9696 -26.1056 -26.1056 -25.1934 -25.1934 -25.0351 -25.0351 -3.1175 -3.1175 8.2385 8.2385 10.5260 10.5260 10.5364 10.5364 17.7961 17.7961 17.8000 17.8000 17.8842 17.8842 20.4319 20.4319 20.4333 20.4333 22.5450 22.5450 k = 0.4242 0.2449 0.1732 ( 1474 PWs) bands (ev): -53.9699 -53.9699 -26.1074 -26.1074 -25.1956 -25.1956 -25.0355 -25.0355 -3.0989 -3.0989 8.1950 8.1950 10.5071 10.5071 10.5174 10.5174 17.8171 17.8171 17.8227 17.8227 17.9165 17.9165 20.4644 20.4644 20.4658 20.4658 22.5391 22.5391 k = 0.4318 0.2493 0.1763 ( 1480 PWs) bands (ev): -53.9711 -53.9711 -26.1092 -26.1092 -25.1978 -25.1978 -25.0359 -25.0359 -3.0818 -3.0818 8.1548 8.1548 10.4900 10.4900 10.5002 10.5002 17.8341 17.8341 17.8407 17.8407 17.9435 17.9435 20.4933 20.4933 20.4947 20.4947 22.5317 22.5317 k = 0.4394 0.2537 0.1794 ( 1468 PWs) bands (ev): -53.9676 -53.9676 -26.1100 -26.1100 -25.1989 -25.1989 -25.0357 -25.0357 -3.0663 -3.0663 8.1197 8.1197 10.4752 10.4752 10.4853 10.4853 17.8668 17.8668 17.8735 17.8735 17.9744 17.9744 20.5259 20.5259 20.5276 20.5276 22.5236 22.5236 k = 0.4470 0.2581 0.1825 ( 1468 PWs) bands (ev): -53.9673 -53.9673 -26.1112 -26.1112 -25.2004 -25.2004 -25.0360 -25.0360 -3.0526 -3.0526 8.0883 8.0883 10.4618 10.4618 10.4718 10.4718 17.8826 17.8826 17.8904 17.8904 18.0011 18.0011 20.5516 20.5516 20.5534 20.5534 22.5149 22.5149 k = 0.4545 0.2624 0.1856 ( 1468 PWs) bands (ev): -53.9671 -53.9671 -26.1123 -26.1123 -25.2017 -25.2017 -25.0362 -25.0362 -3.0405 -3.0405 8.0610 8.0610 10.4502 10.4502 10.4601 10.4601 17.8963 17.8963 17.9050 17.9050 18.0249 18.0249 20.5741 20.5741 20.5759 20.5759 22.5063 22.5063 k = 0.4621 0.2668 0.1887 ( 1473 PWs) bands (ev): -53.9682 -53.9682 -26.1133 -26.1133 -25.2029 -25.2029 -25.0367 -25.0367 -3.0303 -3.0303 8.0380 8.0380 10.4392 10.4392 10.4491 10.4491 17.9074 17.9074 17.9168 17.9168 18.0457 18.0457 20.5866 20.5866 20.5885 20.5885 22.4982 22.4982 k = 0.4697 0.2712 0.1918 ( 1473 PWs) bands (ev): -53.9680 -53.9680 -26.1141 -26.1141 -25.2038 -25.2038 -25.0369 -25.0369 -3.0219 -3.0219 8.0190 8.0190 10.4311 10.4311 10.4410 10.4410 17.9170 17.9170 17.9269 17.9269 18.0630 18.0630 20.6022 20.6022 20.6042 20.6042 22.4910 22.4910 k = 0.4773 0.2756 0.1948 ( 1473 PWs) bands (ev): -53.9679 -53.9679 -26.1146 -26.1146 -25.2045 -25.2045 -25.0370 -25.0370 -3.0153 -3.0153 8.0042 8.0042 10.4249 10.4249 10.4347 10.4347 17.9246 17.9246 17.9348 17.9348 18.0766 18.0766 20.6145 20.6145 20.6165 20.6165 22.4850 22.4850 k = 0.4848 0.2799 0.1979 ( 1473 PWs) bands (ev): -53.9678 -53.9678 -26.1150 -26.1150 -25.2049 -25.2049 -25.0371 -25.0371 -3.0106 -3.0106 7.9936 7.9936 10.4204 10.4204 10.4302 10.4302 17.9300 17.9300 17.9405 17.9405 18.0865 18.0865 20.6232 20.6232 20.6253 20.6253 22.4805 22.4805 k = 0.4924 0.2843 0.2010 ( 1476 PWs) bands (ev): -53.9685 -53.9685 -26.1154 -26.1154 -25.2055 -25.2055 -25.0372 -25.0372 -3.0077 -3.0077 7.9865 7.9865 10.4177 10.4177 10.4274 10.4274 17.9325 17.9325 17.9429 17.9429 18.0874 18.0874 20.6280 20.6280 20.6301 20.6301 22.4778 22.4778 k = 0.5000 0.2887 0.2041 ( 1476 PWs) bands (ev): -53.9685 -53.9685 -26.1155 -26.1155 -25.2056 -25.2056 -25.0372 -25.0372 -3.0068 -3.0068 7.9844 7.9844 10.4168 10.4168 10.4265 10.4265 17.9336 17.9336 17.9441 17.9441 18.0894 18.0894 20.6298 20.6298 20.6318 20.6318 22.4768 22.4768 k = 0.5000 0.2887 0.2041 ( 1476 PWs) bands (ev): -53.9685 -53.9685 -26.1155 -26.1155 -25.2056 -25.2056 -25.0372 -25.0372 -3.0068 -3.0068 7.9844 7.9844 10.4168 10.4168 10.4265 10.4265 17.9336 17.9336 17.9441 17.9441 18.0894 18.0894 20.6298 20.6298 20.6318 20.6318 22.4768 22.4768 k = 0.5027 0.2810 0.2085 ( 1476 PWs) bands (ev): -53.9685 -53.9685 -26.1155 -26.1155 -25.2056 -25.2056 -25.0373 -25.0373 -3.0069 -3.0069 7.9856 7.9856 10.4168 10.4168 10.4266 10.4266 17.9329 17.9329 17.9435 17.9435 18.0889 18.0889 20.6268 20.6268 20.6304 20.6304 22.4831 22.4831 k = 0.5053 0.2733 0.2128 ( 1474 PWs) bands (ev): -53.9679 -53.9679 -26.1155 -26.1155 -25.2055 -25.2055 -25.0374 -25.0374 -3.0073 -3.0073 7.9891 7.9891 10.4172 10.4172 10.4272 10.4272 17.9304 17.9304 17.9424 17.9424 18.0884 18.0884 20.6204 20.6204 20.6281 20.6281 22.5017 22.5017 k = 0.5080 0.2656 0.2172 ( 1472 PWs) bands (ev): -53.9673 -53.9673 -26.1155 -26.1155 -25.2054 -25.2054 -25.0377 -25.0377 -3.0080 -3.0080 7.9950 7.9950 10.4172 10.4172 10.4284 10.4284 17.9246 17.9246 17.9419 17.9419 18.0871 18.0871 20.6035 20.6035 20.6281 20.6281 22.5323 22.5323 k = 0.5106 0.2580 0.2215 ( 1472 PWs) bands (ev): -53.9672 -53.9672 -26.1155 -26.1155 -25.2054 -25.2054 -25.0382 -25.0382 -3.0090 -3.0090 8.0032 8.0032 10.4162 10.4162 10.4300 10.4300 17.9152 17.9152 17.9418 17.9418 18.0844 18.0844 20.5795 20.5795 20.6231 20.6231 22.5742 22.5742 k = 0.5133 0.2503 0.2258 ( 1470 PWs) bands (ev): -53.9666 -53.9666 -26.1155 -26.1155 -25.2053 -25.2053 -25.0388 -25.0388 -3.0102 -3.0102 8.0138 8.0138 10.4146 10.4146 10.4330 10.4330 17.9031 17.9031 17.9422 17.9422 18.0819 18.0819 20.5515 20.5515 20.6195 20.6195 22.6267 22.6267 k = 0.5160 0.2426 0.2302 ( 1469 PWs) bands (ev): -53.9662 -53.9662 -26.1155 -26.1155 -25.2052 -25.2052 -25.0397 -25.0397 -3.0116 -3.0116 8.0269 8.0269 10.4120 10.4120 10.4365 10.4365 17.8882 17.8882 17.9428 17.9428 18.0797 18.0797 20.5176 20.5176 20.6117 20.6117 22.6887 22.6887 k = 0.5186 0.2349 0.2345 ( 1471 PWs) bands (ev): -53.9665 -53.9665 -26.1157 -26.1157 -25.2052 -25.2052 -25.0408 -25.0408 -3.0134 -3.0134 8.0421 8.0421 10.4087 10.4087 10.4408 10.4408 17.8644 17.8644 17.9437 17.9437 18.0755 18.0755 20.4790 20.4790 20.6022 20.6022 22.7592 22.7592 k = 0.5213 0.2273 0.2389 ( 1473 PWs) bands (ev): -53.9669 -53.9669 -26.1159 -26.1159 -25.2053 -25.2053 -25.0420 -25.0420 -3.0154 -3.0154 8.0594 8.0594 10.4048 10.4048 10.4457 10.4457 17.8385 17.8385 17.9448 17.9448 18.0713 18.0713 20.4366 20.4366 20.5906 20.5906 22.8374 22.8374 k = 0.5239 0.2196 0.2432 ( 1473 PWs) bands (ev): -53.9667 -53.9667 -26.1160 -26.1160 -25.2052 -25.2052 -25.0433 -25.0433 -3.0176 -3.0176 8.0791 8.0791 10.4003 10.4003 10.4515 10.4515 17.8143 17.8143 17.9462 17.9462 18.0671 18.0671 20.3922 20.3922 20.5787 20.5787 22.9232 22.9232 k = 0.5266 0.2119 0.2476 ( 1471 PWs) bands (ev): -53.9659 -53.9659 -26.1161 -26.1161 -25.2051 -25.2051 -25.0446 -25.0446 -3.0201 -3.0201 8.1009 8.1009 10.3956 10.3956 10.4581 10.4581 17.7903 17.7903 17.9455 17.9455 18.0642 18.0642 20.3484 20.3484 20.5662 20.5662 23.0153 23.0153 k = 0.5293 0.2042 0.2519 ( 1469 PWs) bands (ev): -53.9652 -53.9652 -26.1161 -26.1161 -25.2049 -25.2049 -25.0462 -25.0462 -3.0228 -3.0228 8.1254 8.1254 10.3898 10.3898 10.4656 10.4656 17.7623 17.7623 17.9440 17.9440 18.0645 18.0645 20.2998 20.2998 20.5540 20.5540 23.1133 23.1133 k = 0.5319 0.1965 0.2562 ( 1467 PWs) bands (ev): -53.9644 -53.9644 -26.1162 -26.1162 -25.2047 -25.2047 -25.0478 -25.0478 -3.0257 -3.0257 8.1516 8.1516 10.3836 10.3836 10.4734 10.4734 17.7310 17.7310 17.9491 17.9491 18.0608 18.0608 20.2520 20.2520 20.5382 20.5382 23.2168 23.2168 k = 0.5346 0.1889 0.2606 ( 1465 PWs) bands (ev): -53.9636 -53.9636 -26.1163 -26.1163 -25.2046 -25.2046 -25.0495 -25.0495 -3.0288 -3.0288 8.1799 8.1799 10.3766 10.3766 10.4825 10.4825 17.6952 17.6952 17.9552 17.9552 18.0564 18.0564 20.2019 20.2019 20.5247 20.5247 23.3248 23.3248 k = 0.5372 0.1812 0.2649 ( 1469 PWs) bands (ev): -53.9643 -53.9643 -26.1167 -26.1167 -25.2046 -25.2046 -25.0517 -25.0517 -3.0322 -3.0322 8.2102 8.2102 10.3688 10.3688 10.4910 10.4910 17.6592 17.6592 17.9542 17.9542 18.0497 18.0497 20.1488 20.1488 20.5036 20.5036 23.4372 23.4372 k = 0.5399 0.1735 0.2693 ( 1468 PWs) bands (ev): -53.9638 -53.9638 -26.1168 -26.1168 -25.2044 -25.2044 -25.0537 -25.0537 -3.0357 -3.0357 8.2425 8.2425 10.3608 10.3608 10.5006 10.5006 17.6219 17.6219 17.9567 17.9567 18.0473 18.0473 20.0979 20.0979 20.4839 20.4839 23.5538 23.5538 k = 0.5426 0.1658 0.2736 ( 1470 PWs) bands (ev): -53.9640 -53.9640 -26.1171 -26.1171 -25.2044 -25.2044 -25.0559 -25.0559 -3.0394 -3.0394 8.2767 8.2767 10.3516 10.3516 10.5108 10.5108 17.5823 17.5823 17.9574 17.9574 18.0444 18.0444 20.0417 20.0417 20.4629 20.4629 23.6735 23.6735 k = 0.5452 0.1582 0.2780 ( 1472 PWs) bands (ev): -53.9643 -53.9643 -26.1175 -26.1175 -25.2043 -25.2043 -25.0583 -25.0583 -3.0433 -3.0433 8.3129 8.3129 10.3422 10.3422 10.5211 10.5211 17.5402 17.5402 17.9602 17.9602 18.0415 18.0415 19.9879 19.9879 20.4378 20.4378 23.7963 23.7963 k = 0.5479 0.1505 0.2823 ( 1472 PWs) bands (ev): -53.9639 -53.9639 -26.1177 -26.1177 -25.2042 -25.2042 -25.0606 -25.0606 -3.0473 -3.0473 8.3508 8.3508 10.3322 10.3322 10.5324 10.5324 17.4982 17.4982 17.9635 17.9635 18.0398 18.0398 19.9342 19.9342 20.4145 20.4145 23.9225 23.9225 k = 0.5505 0.1428 0.2866 ( 1471 PWs) bands (ev): -53.9633 -53.9633 -26.1180 -26.1180 -25.2039 -25.2039 -25.0631 -25.0631 -3.0515 -3.0515 8.3910 8.3910 10.3215 10.3215 10.5443 10.5443 17.4569 17.4569 17.9647 17.9647 18.0398 18.0398 19.8817 19.8817 20.3907 20.3907 24.0518 24.0518 k = 0.5532 0.1351 0.2910 ( 1471 PWs) bands (ev): -53.9630 -53.9630 -26.1183 -26.1183 -25.2038 -25.2038 -25.0655 -25.0655 -3.0559 -3.0559 8.4324 8.4324 10.3103 10.3103 10.5567 10.5567 17.4124 17.4124 17.9688 17.9688 18.0393 18.0393 19.8281 19.8281 20.3653 20.3653 24.1832 24.1832 k = 0.5559 0.1274 0.2953 ( 1473 PWs) bands (ev): -53.9631 -53.9631 -26.1187 -26.1187 -25.2036 -25.2036 -25.0681 -25.0681 -3.0603 -3.0603 8.4754 8.4754 10.2982 10.2982 10.5694 10.5694 17.3667 17.3667 17.9719 17.9719 18.0376 18.0376 19.7737 19.7737 20.3378 20.3378 24.3166 24.3166 k = 0.5585 0.1198 0.2997 ( 1475 PWs) bands (ev): -53.9633 -53.9633 -26.1191 -26.1191 -25.2035 -25.2035 -25.0708 -25.0708 -3.0649 -3.0649 8.5199 8.5199 10.2858 10.2858 10.5827 10.5827 17.3190 17.3190 17.9728 17.9728 18.0381 18.0381 19.7206 19.7206 20.3103 20.3103 24.4518 24.4518 k = 0.5612 0.1121 0.3040 ( 1475 PWs) bands (ev): -53.9629 -53.9629 -26.1195 -26.1195 -25.2033 -25.2033 -25.0734 -25.0734 -3.0696 -3.0696 8.5659 8.5659 10.2727 10.2727 10.5965 10.5965 17.2715 17.2715 17.9780 17.9780 18.0400 18.0400 19.6682 19.6682 20.2819 20.2819 24.5889 24.5889 k = 0.5638 0.1044 0.3084 ( 1475 PWs) bands (ev): -53.9625 -53.9625 -26.1198 -26.1198 -25.2031 -25.2031 -25.0760 -25.0760 -3.0744 -3.0744 8.6133 8.6133 10.2592 10.2592 10.6104 10.6104 17.2244 17.2244 17.9817 17.9817 18.0440 18.0440 19.6173 19.6173 20.2512 20.2512 24.7277 24.7277 k = 0.5665 0.0967 0.3127 ( 1475 PWs) bands (ev): -53.9621 -53.9621 -26.1202 -26.1202 -25.2029 -25.2029 -25.0786 -25.0786 -3.0793 -3.0793 8.6620 8.6620 10.2449 10.2449 10.6251 10.6251 17.1752 17.1752 17.9877 17.9877 18.0475 18.0475 19.5662 19.5662 20.2208 20.2208 24.8674 24.8674 k = 0.5691 0.0891 0.3170 ( 1474 PWs) bands (ev): -53.9615 -53.9615 -26.1206 -26.1206 -25.2026 -25.2026 -25.0812 -25.0812 -3.0842 -3.0842 8.7121 8.7121 10.2298 10.2298 10.6402 10.6402 17.1283 17.1283 17.9940 17.9940 18.0508 18.0508 19.5162 19.5162 20.1907 20.1907 25.0085 25.0085 k = 0.5718 0.0814 0.3214 ( 1474 PWs) bands (ev): -53.9611 -53.9611 -26.1210 -26.1210 -25.2024 -25.2024 -25.0838 -25.0838 -3.0893 -3.0893 8.7632 8.7632 10.2144 10.2144 10.6557 10.6557 17.0778 17.0778 18.0009 18.0009 18.0562 18.0562 19.4671 19.4671 20.1586 20.1586 25.1499 25.1499 k = 0.5745 0.0737 0.3257 ( 1474 PWs) bands (ev): -53.9607 -53.9607 -26.1215 -26.1215 -25.2021 -25.2021 -25.0865 -25.0865 -3.0943 -3.0943 8.8154 8.8154 10.1981 10.1981 10.6716 10.6716 17.0275 17.0275 18.0073 18.0073 18.0614 18.0614 19.4182 19.4182 20.1283 20.1283 25.2917 25.2917 k = 0.5771 0.0660 0.3301 ( 1474 PWs) bands (ev): -53.9603 -53.9603 -26.1219 -26.1219 -25.2019 -25.2019 -25.0890 -25.0890 -3.0994 -3.0994 8.8686 8.8686 10.1815 10.1815 10.6878 10.6878 16.9758 16.9758 18.0153 18.0153 18.0685 18.0685 19.3717 19.3717 20.0945 20.0945 25.4336 25.4336 k = 0.5798 0.0583 0.3344 ( 1469 PWs) bands (ev): -53.9586 -53.9586 -26.1222 -26.1222 -25.2014 -25.2014 -25.0914 -25.0914 -3.1046 -3.1046 8.9229 8.9229 10.1645 10.1645 10.7042 10.7042 16.9260 16.9260 18.0269 18.0269 18.0789 18.0789 19.3327 19.3327 20.0601 20.0601 25.5765 25.5765 k = 0.5824 0.0507 0.3388 ( 1469 PWs) bands (ev): -53.9582 -53.9582 -26.1227 -26.1227 -25.2012 -25.2012 -25.0938 -25.0938 -3.1097 -3.1097 8.9777 8.9777 10.1467 10.1467 10.7210 10.7210 16.8716 16.8716 18.0362 18.0362 18.0885 18.0885 19.2902 19.2902 20.0248 20.0248 25.7169 25.7169 k = 0.5851 0.0430 0.3431 ( 1469 PWs) bands (ev): -53.9578 -53.9578 -26.1231 -26.1231 -25.2010 -25.2010 -25.0962 -25.0962 -3.1150 -3.1150 9.0332 9.0332 10.1284 10.1284 10.7381 10.7381 16.8183 16.8183 18.0457 18.0457 18.0981 18.0981 19.2483 19.2483 19.9887 19.9887 25.8576 25.8576 k = 0.5878 0.0353 0.3474 ( 1472 PWs) bands (ev): -53.9583 -53.9583 -26.1237 -26.1237 -25.2009 -25.2009 -25.0986 -25.0986 -3.1202 -3.1202 9.0893 9.0893 10.1093 10.1093 10.7551 10.7551 16.7647 16.7647 18.0538 18.0538 18.1062 18.1062 19.2063 19.2063 19.9496 19.9496 25.9969 25.9969 k = 0.5904 0.0276 0.3518 ( 1474 PWs) bands (ev): -53.9584 -53.9584 -26.1243 -26.1243 -25.2008 -25.2008 -25.1009 -25.1009 -3.1255 -3.1255 9.1459 9.1459 10.0898 10.0898 10.7727 10.7727 16.7107 16.7107 18.0629 18.0629 18.1151 18.1151 19.1664 19.1664 19.9120 19.9120 26.1345 26.1345 k = 0.5931 0.0200 0.3561 ( 1474 PWs) bands (ev): -53.9581 -53.9581 -26.1248 -26.1248 -25.2007 -25.2007 -25.1030 -25.1030 -3.1307 -3.1307 9.2030 9.2030 10.0701 10.0701 10.7906 10.7906 16.6566 16.6566 18.0738 18.0738 18.1267 18.1267 19.1307 19.1307 19.8738 19.8738 26.2706 26.2706 k = 0.5957 0.0123 0.3605 ( 1474 PWs) bands (ev): -53.9577 -53.9577 -26.1253 -26.1253 -25.2006 -25.2006 -25.1050 -25.1050 -3.1360 -3.1360 9.2604 9.2604 10.0499 10.0499 10.8088 10.8088 16.6024 16.6024 18.0837 18.0837 18.1364 18.1364 19.0990 19.0990 19.8370 19.8370 26.4037 26.4037 k = 0.5984 0.0046 0.3648 ( 1470 PWs) bands (ev): -53.9564 -53.9564 -26.1256 -26.1256 -25.2003 -25.2003 -25.1066 -25.1066 -3.1413 -3.1413 9.3180 9.3180 10.0293 10.0293 10.8274 10.8274 16.5499 16.5499 18.0988 18.0988 18.1503 18.1503 19.0690 19.0690 19.8017 19.8017 26.5349 26.5349 k = 0.6011-0.0031 0.3692 ( 1468 PWs) bands (ev): -53.9555 -53.9555 -26.1260 -26.1260 -25.2000 -25.2000 -25.1083 -25.1083 -3.1465 -3.1465 9.3757 9.3757 10.0086 10.0086 10.8458 10.8458 16.4954 16.4954 18.1113 18.1113 18.1657 18.1657 19.0426 19.0426 19.7617 19.7617 26.6626 26.6626 k = 0.6037-0.0107 0.3735 ( 1476 PWs) bands (ev): -53.9573 -53.9573 -26.1267 -26.1267 -25.2003 -25.2003 -25.1103 -25.1103 -3.1518 -3.1518 9.4332 9.4332 9.9873 9.9873 10.8638 10.8638 16.4372 16.4372 18.1177 18.1177 18.1751 18.1751 19.0136 19.0136 19.7150 19.7150 26.7839 26.7839 k = 0.6064-0.0184 0.3778 ( 1472 PWs) bands (ev): -53.9561 -53.9561 -26.1270 -26.1270 -25.2000 -25.2000 -25.1117 -25.1117 -3.1571 -3.1571 9.4908 9.4908 9.9662 9.9662 10.8826 10.8826 16.3865 16.3865 18.1302 18.1302 18.1904 18.1904 18.9945 18.9945 19.6741 19.6741 26.9021 26.9021 k = 0.6090-0.0261 0.3822 ( 1476 PWs) bands (ev): -53.9569 -53.9569 -26.1275 -26.1275 -25.2001 -25.2001 -25.1131 -25.1131 -3.1624 -3.1624 9.5476 9.5476 9.9450 9.9450 10.9013 10.9013 16.3297 16.3297 18.1404 18.1404 18.2024 18.2024 18.9712 18.9712 19.6300 19.6300 27.0115 27.0115 k = 0.6117-0.0338 0.3865 ( 1480 PWs) bands (ev): -53.9577 -53.9577 -26.1281 -26.1281 -25.2004 -25.2004 -25.1144 -25.1144 -3.1677 -3.1677 9.6032 9.6032 9.9244 9.9244 10.9204 10.9204 16.2745 16.2745 18.1491 18.1491 18.2145 18.2145 18.9486 18.9486 19.5871 19.5871 27.1144 27.1144 k = 0.6144-0.0415 0.3909 ( 1476 PWs) bands (ev): -53.9565 -53.9565 -26.1283 -26.1283 -25.2001 -25.2001 -25.1153 -25.1153 -3.1730 -3.1730 9.6572 9.6572 9.9056 9.9056 10.9397 10.9397 16.2235 16.2235 18.1621 18.1621 18.2289 18.2289 18.9399 18.9399 19.5448 19.5448 27.2093 27.2093 k = 0.6170-0.0491 0.3952 ( 1478 PWs) bands (ev): -53.9569 -53.9569 -26.1287 -26.1287 -25.2002 -25.2002 -25.1163 -25.1163 -3.1783 -3.1783 9.7064 9.7064 9.8908 9.8908 10.9590 10.9590 16.1690 16.1690 18.1725 18.1725 18.2409 18.2409 18.9282 18.9282 19.4992 19.4992 27.2922 27.2922 k = 0.6197-0.0568 0.3996 ( 1478 PWs) bands (ev): -53.9568 -53.9568 -26.1290 -26.1290 -25.2002 -25.2002 -25.1170 -25.1170 -3.1836 -3.1836 9.7450 9.7450 9.8861 9.8861 10.9785 10.9785 16.1153 16.1153 18.1852 18.1852 18.2534 18.2534 18.9200 18.9200 19.4558 19.4558 27.3617 27.3617 k = 0.6223-0.0645 0.4039 ( 1478 PWs) bands (ev): -53.9566 -53.9566 -26.1292 -26.1292 -25.2003 -25.2003 -25.1175 -25.1175 -3.1890 -3.1890 9.7623 9.7623 9.9022 9.9022 10.9982 10.9982 16.0620 16.0620 18.1978 18.1978 18.2656 18.2656 18.9147 18.9147 19.4120 19.4120 27.4111 27.4111 k = 0.6250-0.0722 0.4082 ( 1480 PWs) bands (ev): -53.9571 -53.9571 -26.1295 -26.1295 -25.2005 -25.2005 -25.1179 -25.1179 -3.1944 -3.1944 9.7578 9.7578 9.9394 9.9394 11.0179 11.0179 16.0091 16.0091 18.2093 18.2093 18.2741 18.2741 18.9108 18.9108 19.3676 19.3676 27.4230 27.4230 k = 0.6250-0.0722 0.4082 ( 1480 PWs) bands (ev): -53.9571 -53.9571 -26.1295 -26.1295 -25.2005 -25.2005 -25.1179 -25.1179 -3.1944 -3.1944 9.7578 9.7578 9.9394 9.9394 11.0179 11.0179 16.0091 16.0091 18.2093 18.2093 18.2741 18.2741 18.9108 18.9108 19.3676 19.3676 27.4230 27.4230 k = 0.6204-0.0695 0.4158 ( 1478 PWs) bands (ev): -53.9565 -53.9565 -26.1294 -26.1294 -25.2004 -25.2004 -25.1178 -25.1178 -3.1944 -3.1944 9.7583 9.7583 9.9399 9.9399 11.0164 11.0164 16.0115 16.0115 18.2011 18.2011 18.2840 18.2840 18.9093 18.9093 19.3714 19.3714 27.4242 27.4242 k = 0.6157-0.0668 0.4234 ( 1476 PWs) bands (ev): -53.9560 -53.9560 -26.1293 -26.1293 -25.2001 -25.2001 -25.1180 -25.1180 -3.1941 -3.1941 9.7598 9.7598 9.9413 9.9413 11.0115 11.0115 16.0179 16.0179 18.1827 18.1827 18.3025 18.3025 18.9053 18.9053 19.3755 19.3755 27.4279 27.4279 k = 0.6111-0.0642 0.4309 ( 1476 PWs) bands (ev): -53.9560 -53.9560 -26.1294 -26.1294 -25.2000 -25.2000 -25.1183 -25.1183 -3.1938 -3.1938 9.7621 9.7621 9.9435 9.9435 11.0034 11.0034 16.0285 16.0285 18.1571 18.1571 18.3213 18.3213 18.8963 18.8963 19.3819 19.3819 27.4333 27.4333 k = 0.6065-0.0615 0.4385 ( 1479 PWs) bands (ev): -53.9567 -53.9567 -26.1295 -26.1295 -25.1998 -25.1998 -25.1189 -25.1189 -3.1933 -3.1933 9.7653 9.7653 9.9465 9.9465 10.9919 10.9919 16.0414 16.0414 18.1273 18.1273 18.3385 18.3385 18.8831 18.8831 19.3879 19.3879 27.4408 27.4408 k = 0.6019-0.0588 0.4460 ( 1475 PWs) bands (ev): -53.9556 -53.9556 -26.1294 -26.1294 -25.1994 -25.1994 -25.1191 -25.1191 -3.1927 -3.1927 9.7695 9.7695 9.9506 9.9506 10.9776 10.9776 16.0630 16.0630 18.1002 18.1002 18.3585 18.3585 18.8694 18.8694 19.3996 19.3996 27.4506 27.4506 k = 0.5972-0.0561 0.4536 ( 1473 PWs) bands (ev): -53.9551 -53.9551 -26.1293 -26.1293 -25.1990 -25.1990 -25.1197 -25.1197 -3.1920 -3.1920 9.7747 9.7747 9.9554 9.9554 10.9603 10.9603 16.0861 16.0861 18.0720 18.0720 18.3762 18.3762 18.8531 18.8531 19.4111 19.4111 27.4627 27.4627 k = 0.5926-0.0535 0.4612 ( 1473 PWs) bands (ev): -53.9550 -53.9550 -26.1293 -26.1293 -25.1985 -25.1985 -25.1204 -25.1204 -3.1911 -3.1911 9.7808 9.7808 9.9611 9.9611 10.9401 10.9401 16.1123 16.1123 18.0382 18.0382 18.3925 18.3925 18.8347 18.8347 19.4230 19.4230 27.4767 27.4767 k = 0.5880-0.0508 0.4687 ( 1473 PWs) bands (ev): -53.9550 -53.9550 -26.1294 -26.1294 -25.1981 -25.1981 -25.1213 -25.1213 -3.1902 -3.1902 9.7877 9.7877 9.9676 9.9676 10.9172 10.9172 16.1422 16.1422 18.0028 18.0028 18.4076 18.4076 18.8152 18.8152 19.4354 19.4354 27.4928 27.4928 k = 0.5833-0.0481 0.4763 ( 1476 PWs) bands (ev): -53.9557 -53.9557 -26.1295 -26.1295 -25.1976 -25.1976 -25.1224 -25.1224 -3.1892 -3.1892 9.7956 9.7956 9.9749 9.9749 10.8917 10.8917 16.1746 16.1746 17.9626 17.9626 18.4207 18.4207 18.7928 18.7928 19.4466 19.4466 27.5104 27.5104 k = 0.5787-0.0454 0.4838 ( 1470 PWs) bands (ev): -53.9540 -53.9540 -26.1293 -26.1293 -25.1967 -25.1967 -25.1231 -25.1231 -3.1880 -3.1880 9.8045 9.8045 9.9830 9.9830 10.8644 10.8644 16.2133 16.2133 17.9254 17.9254 18.4400 18.4400 18.7747 18.7747 19.4647 19.4647 27.5305 27.5305 k = 0.5741-0.0428 0.4914 ( 1470 PWs) bands (ev): -53.9539 -53.9539 -26.1294 -26.1294 -25.1961 -25.1961 -25.1242 -25.1242 -3.1868 -3.1868 9.8142 9.8142 9.9917 9.9917 10.8344 10.8344 16.2527 16.2527 17.8858 17.8858 18.4518 18.4518 18.7540 18.7540 19.4770 19.4770 27.5526 27.5526 k = 0.5694-0.0401 0.4990 ( 1470 PWs) bands (ev): -53.9539 -53.9539 -26.1294 -26.1294 -25.1954 -25.1954 -25.1253 -25.1253 -3.1855 -3.1855 9.8249 9.8249 10.0012 10.0012 10.8022 10.8022 16.2953 16.2953 17.8449 17.8449 18.4624 18.4624 18.7336 18.7336 19.4886 19.4886 27.5766 27.5766 k = 0.5648-0.0374 0.5065 ( 1472 PWs) bands (ev): -53.9543 -53.9543 -26.1296 -26.1296 -25.1948 -25.1948 -25.1266 -25.1266 -3.1842 -3.1842 9.8365 9.8365 10.0113 10.0113 10.7680 10.7680 16.3394 16.3394 17.8021 17.8021 18.4719 18.4719 18.7138 18.7138 19.4950 19.4950 27.6024 27.6024 k = 0.5602-0.0347 0.5141 ( 1468 PWs) bands (ev): -53.9532 -53.9532 -26.1295 -26.1295 -25.1937 -25.1937 -25.1279 -25.1279 -3.1829 -3.1829 9.8493 9.8493 10.0220 10.0220 10.7327 10.7327 16.3838 16.3838 17.7653 17.7653 18.4839 18.4839 18.6981 18.6981 19.5083 19.5083 27.6315 27.6316 k = 0.5556-0.0321 0.5217 ( 1468 PWs) bands (ev): -53.9531 -53.9531 -26.1295 -26.1295 -25.1930 -25.1930 -25.1291 -25.1291 -3.1815 -3.1815 9.8627 9.8627 10.0332 10.0332 10.6959 10.6959 16.4328 16.4328 17.7203 17.7203 18.4913 18.4913 18.6803 18.6803 19.5178 19.5178 27.6612 27.6612 k = 0.5509-0.0294 0.5292 ( 1469 PWs) bands (ev): -53.9533 -53.9533 -26.1296 -26.1296 -25.1923 -25.1923 -25.1304 -25.1304 -3.1801 -3.1801 9.8771 9.8771 10.0449 10.0449 10.6578 10.6578 16.4835 16.4835 17.6741 17.6741 18.4976 18.4976 18.6619 18.6619 19.5259 19.5259 27.6927 27.6927 k = 0.5463-0.0267 0.5368 ( 1467 PWs) bands (ev): -53.9527 -53.9527 -26.1296 -26.1296 -25.1915 -25.1915 -25.1315 -25.1315 -3.1788 -3.1788 9.8926 9.8926 10.0571 10.0571 10.6189 10.6189 16.5361 16.5361 17.6298 17.6298 18.5029 18.5029 18.6472 18.6472 19.5359 19.5359 27.7267 27.7267 k = 0.5417-0.0241 0.5443 ( 1469 PWs) bands (ev): -53.9532 -53.9532 -26.1298 -26.1298 -25.1908 -25.1908 -25.1328 -25.1328 -3.1774 -3.1774 9.9088 9.9088 10.0695 10.0695 10.5791 10.5791 16.5896 16.5896 17.5809 17.5809 18.5036 18.5036 18.6330 18.6330 19.5421 19.5421 27.7616 27.7616 k = 0.5370-0.0214 0.5519 ( 1465 PWs) bands (ev): -53.9521 -53.9521 -26.1297 -26.1297 -25.1899 -25.1899 -25.1338 -25.1338 -3.1762 -3.1762 9.9260 9.9260 10.0820 10.0820 10.5392 10.5392 16.6459 16.6459 17.5333 17.5333 18.5096 18.5096 18.6255 18.6255 19.5493 19.5493 27.7986 27.7986 k = 0.5324-0.0187 0.5595 ( 1463 PWs) bands (ev): -53.9515 -53.9515 -26.1297 -26.1297 -25.1892 -25.1892 -25.1348 -25.1348 -3.1750 -3.1750 9.9441 9.9441 10.0944 10.0944 10.4993 10.4993 16.7041 16.7041 17.4826 17.4826 18.5133 18.5133 18.6172 18.6172 19.5541 19.5541 27.8368 27.8368 k = 0.5278-0.0160 0.5670 ( 1464 PWs) bands (ev): -53.9518 -53.9518 -26.1298 -26.1298 -25.1886 -25.1886 -25.1359 -25.1359 -3.1739 -3.1739 9.9631 9.9631 10.1062 10.1062 10.4597 10.4597 16.7595 16.7595 17.4307 17.4307 18.5144 18.5144 18.6084 18.6084 19.5584 19.5584 27.8767 27.8767 k = 0.5231-0.0134 0.5746 ( 1464 PWs) bands (ev): -53.9517 -53.9517 -26.1298 -26.1298 -25.1880 -25.1880 -25.1368 -25.1368 -3.1729 -3.1729 9.9830 9.9830 10.1170 10.1170 10.4213 10.4213 16.8167 16.8167 17.3780 17.3780 18.5148 18.5148 18.6023 18.6023 19.5620 19.5620 27.9181 27.9181 k = 0.5185-0.0107 0.5821 ( 1464 PWs) bands (ev): -53.9517 -53.9517 -26.1299 -26.1299 -25.1875 -25.1875 -25.1376 -25.1376 -3.1721 -3.1721 10.0037 10.0037 10.1257 10.1257 10.3853 10.3853 16.8743 16.8743 17.3243 17.3243 18.5148 18.5148 18.5979 18.5979 19.5648 19.5648 27.9609 27.9609 k = 0.5139-0.0080 0.5897 ( 1464 PWs) bands (ev): -53.9517 -53.9517 -26.1299 -26.1299 -25.1871 -25.1871 -25.1383 -25.1383 -3.1714 -3.1714 10.0254 10.0254 10.1307 10.1307 10.3535 10.3535 16.9321 16.9321 17.2699 17.2699 18.5145 18.5145 18.5948 18.5948 19.5670 19.5670 28.0052 28.0052 k = 0.5093-0.0053 0.5973 ( 1464 PWs) bands (ev): -53.9516 -53.9516 -26.1299 -26.1299 -25.1868 -25.1868 -25.1387 -25.1387 -3.1708 -3.1708 10.0478 10.0478 10.1294 10.1294 10.3284 10.3284 16.9897 16.9897 17.2148 17.2148 18.5141 18.5141 18.5929 18.5929 19.5684 19.5684 28.0507 28.0507 k = 0.5046-0.0027 0.6048 ( 1464 PWs) bands (ev): -53.9516 -53.9516 -26.1300 -26.1300 -25.1866 -25.1866 -25.1390 -25.1390 -3.1705 -3.1705 10.0705 10.0705 10.1196 10.1196 10.3130 10.3130 17.0464 17.0464 17.1597 17.1597 18.5139 18.5139 18.5919 18.5919 19.5693 19.5693 28.0973 28.0973 k = 0.5000 0.0000 0.6124 ( 1448 PWs) bands (ev): -53.9474 -53.9474 -26.1293 -26.1293 -25.1857 -25.1857 -25.1386 -25.1386 -3.1703 -3.1703 10.0878 10.0878 10.1070 10.1070 10.3093 10.3093 17.0923 17.0923 17.1236 17.1236 18.5288 18.5288 18.6056 18.6056 19.5778 19.5778 28.1388 28.1388 k = 0.5000 0.0000 0.6124 ( 1448 PWs) bands (ev): -53.9474 -53.9474 -26.1293 -26.1293 -25.1857 -25.1857 -25.1386 -25.1386 -3.1703 -3.1703 10.0878 10.0878 10.1070 10.1070 10.3093 10.3093 17.0923 17.0923 17.1236 17.1236 18.5288 18.5288 18.6056 18.6056 19.5778 19.5778 28.1388 28.1388 k = 0.5000 0.0053 0.6048 ( 1464 PWs) bands (ev): -53.9516 -53.9516 -26.1300 -26.1300 -25.1866 -25.1866 -25.1390 -25.1390 -3.1702 -3.1702 10.0826 10.0826 10.1035 10.1035 10.3147 10.3147 17.0881 17.0881 17.1194 17.1194 18.5141 18.5141 18.5924 18.5924 19.5706 19.5706 28.1318 28.1318 k = 0.5000 0.0107 0.5973 ( 1464 PWs) bands (ev): -53.9517 -53.9517 -26.1299 -26.1299 -25.1868 -25.1868 -25.1386 -25.1386 -3.1698 -3.1698 10.0637 10.0637 10.1007 10.1007 10.3317 10.3317 17.0892 17.0892 17.1207 17.1207 18.5147 18.5147 18.5949 18.5949 19.5738 19.5738 28.1148 28.1148 k = 0.5000 0.0160 0.5897 ( 1464 PWs) bands (ev): -53.9517 -53.9517 -26.1298 -26.1298 -25.1871 -25.1871 -25.1380 -25.1380 -3.1691 -3.1691 10.0329 10.0329 10.1008 10.1008 10.3547 10.3547 17.0911 17.0911 17.1229 17.1229 18.5153 18.5153 18.5995 18.5995 19.5793 19.5793 28.0826 28.0826 k = 0.5000 0.0214 0.5821 ( 1464 PWs) bands (ev): -53.9518 -53.9518 -26.1297 -26.1297 -25.1875 -25.1875 -25.1372 -25.1372 -3.1682 -3.1682 9.9953 9.9953 10.1023 10.1023 10.3800 10.3800 17.0935 17.0935 17.1263 17.1263 18.5154 18.5154 18.6068 18.6068 19.5870 19.5870 28.0358 28.0358 k = 0.5000 0.0267 0.5746 ( 1464 PWs) bands (ev): -53.9519 -53.9519 -26.1295 -26.1295 -25.1880 -25.1880 -25.1362 -25.1362 -3.1669 -3.1669 9.9533 9.9533 10.1045 10.1045 10.4060 10.4060 17.0964 17.0964 17.1311 17.1311 18.5145 18.5145 18.6171 18.6171 19.5969 19.5969 27.9760 27.9760 k = 0.5000 0.0321 0.5670 ( 1464 PWs) bands (ev): -53.9520 -53.9520 -26.1293 -26.1293 -25.1885 -25.1885 -25.1349 -25.1349 -3.1654 -3.1654 9.9083 9.9083 10.1074 10.1074 10.4314 10.4314 17.0996 17.0996 17.1373 17.1373 18.5124 18.5124 18.6309 18.6309 19.6089 19.6089 27.9047 27.9047 k = 0.5000 0.0374 0.5595 ( 1464 PWs) bands (ev): -53.9522 -53.9522 -26.1291 -26.1291 -25.1891 -25.1891 -25.1335 -25.1335 -3.1637 -3.1637 9.8609 9.8609 10.1108 10.1108 10.4557 10.4557 17.1031 17.1031 17.1452 17.1452 18.5088 18.5088 18.6479 18.6479 19.6229 19.6229 27.8229 27.8229 k = 0.5000 0.0428 0.5519 ( 1464 PWs) bands (ev): -53.9523 -53.9523 -26.1288 -26.1288 -25.1898 -25.1898 -25.1319 -25.1319 -3.1617 -3.1617 9.8116 9.8116 10.1148 10.1148 10.4787 10.4787 17.1070 17.1070 17.1547 17.1547 18.5045 18.5045 18.6676 18.6676 19.6386 19.6386 27.7315 27.7315 k = 0.5000 0.0481 0.5443 ( 1470 PWs) bands (ev): -53.9540 -53.9540 -26.1287 -26.1287 -25.1907 -25.1907 -25.1304 -25.1304 -3.1594 -3.1594 9.7607 9.7607 10.1190 10.1190 10.4997 10.4997 17.1067 17.1067 17.1651 17.1651 18.4939 18.4939 18.6852 18.6852 19.6551 19.6551 27.6298 27.6298 k = 0.5000 0.0535 0.5368 ( 1472 PWs) bands (ev): -53.9548 -53.9548 -26.1285 -26.1285 -25.1915 -25.1915 -25.1286 -25.1286 -3.1569 -3.1569 9.7084 9.7084 10.1239 10.1239 10.5193 10.5193 17.1080 17.1080 17.1766 17.1766 18.4861 18.4861 18.7105 18.7105 19.6749 19.6749 27.5220 27.5220 k = 0.5000 0.0588 0.5292 ( 1472 PWs) bands (ev): -53.9550 -53.9550 -26.1281 -26.1281 -25.1923 -25.1923 -25.1267 -25.1267 -3.1542 -3.1542 9.6552 9.6552 10.1294 10.1294 10.5369 10.5369 17.1130 17.1130 17.1908 17.1908 18.4775 18.4775 18.7391 18.7391 19.6962 19.6962 27.4082 27.4082 k = 0.5000 0.0642 0.5217 ( 1470 PWs) bands (ev): -53.9547 -53.9547 -26.1277 -26.1277 -25.1929 -25.1929 -25.1244 -25.1244 -3.1512 -3.1512 9.6011 9.6011 10.1354 10.1354 10.5527 10.5527 17.1197 17.1197 17.2079 17.2079 18.4681 18.4681 18.7729 18.7729 19.7191 19.7191 27.2890 27.2890 k = 0.5000 0.0695 0.5141 ( 1472 PWs) bands (ev): -53.9555 -53.9555 -26.1274 -26.1274 -25.1938 -25.1938 -25.1223 -25.1223 -3.1480 -3.1480 9.5461 9.5461 10.1417 10.1417 10.5664 10.5664 17.1262 17.1262 17.2247 17.2247 18.4569 18.4569 18.8025 18.8025 19.7422 19.7422 27.1645 27.1646 k = 0.5000 0.0748 0.5065 ( 1472 PWs) bands (ev): -53.9558 -53.9558 -26.1270 -26.1270 -25.1945 -25.1945 -25.1200 -25.1200 -3.1447 -3.1447 9.4905 9.4905 10.1483 10.1483 10.5784 10.5784 17.1337 17.1337 17.2430 17.2430 18.4458 18.4458 18.8382 18.8382 19.7679 19.7679 27.0357 27.0357 k = 0.5000 0.0802 0.4990 ( 1474 PWs) bands (ev): -53.9566 -53.9566 -26.1266 -26.1266 -25.1952 -25.1952 -25.1177 -25.1177 -3.1411 -3.1411 9.4345 9.4345 10.1553 10.1553 10.5885 10.5885 17.1414 17.1414 17.2624 17.2624 18.4306 18.4306 18.8750 18.8750 19.7939 19.7939 26.9029 26.9029 k = 0.5000 0.0855 0.4914 ( 1478 PWs) bands (ev): -53.9579 -53.9579 -26.1263 -26.1263 -25.1962 -25.1962 -25.1153 -25.1153 -3.1374 -3.1374 9.3778 9.3778 10.1627 10.1627 10.5968 10.5968 17.1473 17.1473 17.2800 17.2800 18.4175 18.4175 18.9135 18.9135 19.8195 19.8195 26.7663 26.7663 k = 0.5000 0.0909 0.4838 ( 1478 PWs) bands (ev): -53.9582 -53.9582 -26.1259 -26.1259 -25.1968 -25.1968 -25.1128 -25.1128 -3.1335 -3.1335 9.3212 9.3212 10.1706 10.1706 10.6037 10.6037 17.1575 17.1575 17.3015 17.3015 18.4045 18.4045 18.9547 18.9547 19.8485 19.8485 26.6279 26.6279 k = 0.5000 0.0962 0.4763 ( 1478 PWs) bands (ev): -53.9585 -53.9585 -26.1254 -26.1254 -25.1974 -25.1974 -25.1102 -25.1102 -3.1294 -3.1294 9.2645 9.2645 10.1786 10.1786 10.6088 10.6088 17.1693 17.1693 17.3242 17.3242 18.3907 18.3907 18.9976 18.9976 19.8781 19.8781 26.4874 26.4874 k = 0.5000 0.1016 0.4687 ( 1478 PWs) bands (ev): -53.9588 -53.9588 -26.1249 -26.1249 -25.1980 -25.1980 -25.1076 -25.1076 -3.1252 -3.1252 9.2078 9.2078 10.1869 10.1869 10.6123 10.6123 17.1823 17.1823 17.3478 17.3478 18.3764 18.3764 19.0421 19.0421 19.9084 19.9084 26.3451 26.3451 k = 0.5000 0.1069 0.4612 ( 1472 PWs) bands (ev): -53.9576 -53.9576 -26.1242 -26.1242 -25.1983 -25.1983 -25.1046 -25.1046 -3.1209 -3.1209 9.1514 9.1514 10.1958 10.1958 10.6145 10.6145 17.2025 17.2025 17.3734 17.3734 18.3631 18.3631 19.0940 19.0940 19.9411 19.9411 26.2042 26.2042 k = 0.5000 0.1123 0.4536 ( 1472 PWs) bands (ev): -53.9579 -53.9579 -26.1237 -26.1237 -25.1989 -25.1989 -25.1018 -25.1018 -3.1164 -3.1164 9.0951 9.0951 10.2046 10.2046 10.6155 10.6155 17.2157 17.2157 17.3980 17.3980 18.3476 18.3476 19.1409 19.1409 19.9764 19.9764 26.0588 26.0588 k = 0.5000 0.1176 0.4460 ( 1470 PWs) bands (ev): -53.9578 -53.9578 -26.1232 -26.1232 -25.1993 -25.1993 -25.0990 -25.0990 -3.1119 -3.1119 9.0392 9.0392 10.2135 10.2135 10.6152 10.6152 17.2333 17.2333 17.4239 17.4239 18.3371 18.3371 19.1875 19.1875 20.0091 20.0091 25.9137 25.9137 k = 0.5000 0.1230 0.4385 ( 1478 PWs) bands (ev): -53.9603 -53.9603 -26.1230 -26.1230 -25.2002 -25.2002 -25.0966 -25.0966 -3.1073 -3.1073 8.9833 8.9833 10.2225 10.2225 10.6126 10.6126 17.2489 17.2489 17.4451 17.4451 18.3163 18.3163 19.2339 19.2339 20.0330 20.0330 25.7672 25.7672 k = 0.5000 0.1283 0.4309 ( 1474 PWs) bands (ev): -53.9596 -53.9596 -26.1224 -26.1224 -25.2005 -25.2005 -25.0936 -25.0936 -3.1027 -3.1027 8.9287 8.9287 10.2322 10.2322 10.6096 10.6096 17.2712 17.2712 17.4741 17.4741 18.3007 18.3007 19.2880 19.2880 20.0651 20.0651 25.6221 25.6221 k = 0.5000 0.1336 0.4234 ( 1472 PWs) bands (ev): -53.9595 -53.9595 -26.1219 -26.1219 -25.2008 -25.2008 -25.0906 -25.0906 -3.0979 -3.0979 8.8746 8.8746 10.2418 10.2418 10.6056 10.6056 17.2935 17.2935 17.5013 17.5013 18.2869 18.2869 19.3402 19.3402 20.0967 20.0967 25.4763 25.4763 k = 0.5000 0.1390 0.4158 ( 1476 PWs) bands (ev): -53.9610 -53.9610 -26.1216 -26.1216 -25.2014 -25.2014 -25.0880 -25.0880 -3.0932 -3.0932 8.8213 8.8213 10.2510 10.2510 10.6005 10.6005 17.3112 17.3112 17.5283 17.5283 18.2690 18.2690 19.3880 19.3880 20.1268 20.1268 25.3296 25.3296 k = 0.5000 0.1443 0.4082 ( 1476 PWs) bands (ev): -53.9614 -53.9614 -26.1211 -26.1211 -25.2018 -25.2018 -25.0852 -25.0852 -3.0884 -3.0884 8.7690 8.7690 10.2605 10.2605 10.5946 10.5946 17.3339 17.3339 17.5557 17.5557 18.2531 18.2531 19.4405 19.4405 20.1578 20.1578 25.1843 25.1843 k = 0.5000 0.1497 0.4007 ( 1476 PWs) bands (ev): -53.9618 -53.9618 -26.1207 -26.1207 -25.2022 -25.2022 -25.0824 -25.0824 -3.0837 -3.0837 8.7177 8.7177 10.2699 10.2699 10.5881 10.5881 17.3578 17.3578 17.5832 17.5832 18.2373 18.2373 19.4936 19.4936 20.1884 20.1884 25.0397 25.0397 k = 0.5000 0.1550 0.3931 ( 1474 PWs) bands (ev): -53.9617 -53.9617 -26.1202 -26.1202 -25.2024 -25.2024 -25.0795 -25.0795 -3.0789 -3.0789 8.6675 8.6675 10.2793 10.2793 10.5812 10.5812 17.3827 17.3827 17.6106 17.6106 18.2251 18.2251 19.5479 19.5479 20.2201 20.2201 24.8961 24.8961 k = 0.5000 0.1604 0.3856 ( 1470 PWs) bands (ev): -53.9611 -53.9611 -26.1197 -26.1197 -25.2026 -25.2026 -25.0764 -25.0764 -3.0742 -3.0742 8.6185 8.6185 10.2895 10.2895 10.5736 10.5736 17.4089 17.4089 17.6429 17.6429 18.2079 18.2079 19.6075 19.6075 20.2507 20.2507 24.7537 24.7537 k = 0.5000 0.1657 0.3780 ( 1472 PWs) bands (ev): -53.9620 -53.9620 -26.1194 -26.1194 -25.2030 -25.2030 -25.0738 -25.0738 -3.0696 -3.0696 8.5706 8.5706 10.2987 10.2987 10.5654 10.5654 17.4330 17.4330 17.6686 17.6686 18.1928 18.1928 19.6603 19.6603 20.2794 20.2794 24.6121 24.6121 k = 0.5000 0.1711 0.3704 ( 1472 PWs) bands (ev): -53.9624 -53.9624 -26.1190 -26.1190 -25.2033 -25.2033 -25.0711 -25.0711 -3.0650 -3.0650 8.5243 8.5243 10.3079 10.3079 10.5569 10.5569 17.4605 17.4605 17.6948 17.6948 18.1782 18.1782 19.7148 19.7148 20.3075 20.3075 24.4728 24.4728 k = 0.5000 0.1764 0.3629 ( 1470 PWs) bands (ev): -53.9622 -53.9622 -26.1186 -26.1186 -25.2034 -25.2034 -25.0684 -25.0684 -3.0605 -3.0605 8.4795 8.4795 10.3170 10.3170 10.5483 10.5483 17.4899 17.4899 17.7198 17.7198 18.1679 18.1679 19.7699 19.7699 20.3358 20.3358 24.3354 24.3354 k = 0.5000 0.1818 0.3553 ( 1470 PWs) bands (ev): -53.9626 -53.9626 -26.1183 -26.1183 -25.2036 -25.2036 -25.0658 -25.0658 -3.0561 -3.0561 8.4361 8.4361 10.3258 10.3258 10.5394 10.5394 17.5187 17.5187 17.7447 17.7447 18.1543 18.1543 19.8247 19.8247 20.3622 20.3622 24.2001 24.2001 k = 0.5000 0.1871 0.3478 ( 1470 PWs) bands (ev): -53.9630 -53.9630 -26.1180 -26.1180 -25.2038 -25.2038 -25.0633 -25.0633 -3.0517 -3.0517 8.3944 8.3944 10.3343 10.3343 10.5304 10.5304 17.5480 17.5480 17.7688 17.7688 18.1413 18.1413 19.8795 19.8795 20.3877 20.3877 24.0671 24.0671 k = 0.5000 0.1925 0.3402 ( 1468 PWs) bands (ev): -53.9628 -53.9628 -26.1176 -26.1176 -25.2039 -25.2039 -25.0607 -25.0607 -3.0476 -3.0476 8.3544 8.3544 10.3427 10.3427 10.5217 10.5217 17.5778 17.5778 17.7920 17.7920 18.1325 18.1325 19.9342 19.9342 20.4137 20.4137 23.9366 23.9366 k = 0.5000 0.1978 0.3326 ( 1468 PWs) bands (ev): -53.9631 -53.9631 -26.1173 -26.1173 -25.2041 -25.2041 -25.0584 -25.0584 -3.0435 -3.0435 8.3161 8.3161 10.3507 10.3507 10.5128 10.5128 17.6075 17.6075 17.8140 17.8140 18.1211 18.1211 19.9888 19.9888 20.4371 20.4371 23.8089 23.8089 k = 0.5000 0.2031 0.3251 ( 1472 PWs) bands (ev): -53.9645 -53.9645 -26.1173 -26.1173 -25.2045 -25.2045 -25.0562 -25.0562 -3.0397 -3.0397 8.2793 8.2793 10.3582 10.3582 10.5037 10.5037 17.6349 17.6349 17.8333 17.8333 18.1099 18.1099 20.0385 20.0385 20.4565 20.4565 23.6840 23.6840 k = 0.5000 0.2085 0.3175 ( 1472 PWs) bands (ev): -53.9648 -53.9648 -26.1170 -26.1170 -25.2046 -25.2046 -25.0540 -25.0540 -3.0359 -3.0359 8.2447 8.2447 10.3655 10.3655 10.4951 10.4951 17.6642 17.6642 17.8525 17.8525 18.1005 18.1005 20.0922 20.0922 20.4776 20.4776 23.5628 23.5628 k = 0.5000 0.2138 0.3100 ( 1472 PWs) bands (ev): -53.9651 -53.9651 -26.1168 -26.1168 -25.2047 -25.2047 -25.0519 -25.0519 -3.0324 -3.0324 8.2121 8.2121 10.3725 10.3725 10.4867 10.4867 17.6931 17.6931 17.8701 17.8701 18.0922 18.0922 20.1454 20.1454 20.4976 20.4976 23.4452 23.4452 k = 0.5000 0.2192 0.3024 ( 1472 PWs) bands (ev): -53.9654 -53.9654 -26.1166 -26.1166 -25.2048 -25.2048 -25.0500 -25.0500 -3.0290 -3.0290 8.1815 8.1815 10.3789 10.3789 10.4789 10.4789 17.7216 17.7216 17.8856 17.8856 18.0871 18.0871 20.1954 20.1954 20.5164 20.5164 23.3324 23.3324 k = 0.5000 0.2245 0.2948 ( 1474 PWs) bands (ev): -53.9662 -53.9662 -26.1165 -26.1165 -25.2050 -25.2050 -25.0483 -25.0483 -3.0259 -3.0259 8.1530 8.1530 10.3850 10.3850 10.4706 10.4706 17.7486 17.7486 17.8986 17.8986 18.0814 18.0814 20.2468 20.2468 20.5297 20.5297 23.2233 23.2233 k = 0.5000 0.2299 0.2873 ( 1472 PWs) bands (ev): -53.9660 -53.9660 -26.1162 -26.1162 -25.2050 -25.2050 -25.0464 -25.0464 -3.0229 -3.0229 8.1266 8.1266 10.3908 10.3908 10.4638 10.4638 17.7747 17.7747 17.9109 17.9109 18.0804 18.0804 20.2972 20.2972 20.5475 20.5475 23.1191 23.1191 k = 0.5000 0.2352 0.2797 ( 1470 PWs) bands (ev): -53.9657 -53.9657 -26.1160 -26.1160 -25.2050 -25.2050 -25.0447 -25.0447 -3.0202 -3.0202 8.1024 8.1024 10.3962 10.3962 10.4572 10.4572 17.8026 17.8026 17.9214 17.9214 18.0782 18.0782 20.3461 20.3461 20.5644 20.5644 23.0205 23.0205 k = 0.5000 0.2406 0.2722 ( 1476 PWs) bands (ev): -53.9674 -53.9674 -26.1161 -26.1161 -25.2053 -25.2053 -25.0436 -25.0436 -3.0177 -3.0177 8.0802 8.0802 10.4006 10.4006 10.4504 10.4504 17.8210 17.8210 17.9261 17.9261 18.0746 18.0746 20.3893 20.3893 20.5745 20.5745 22.9270 22.9270 k = 0.5000 0.2459 0.2646 ( 1474 PWs) bands (ev): -53.9671 -53.9671 -26.1159 -26.1159 -25.2053 -25.2053 -25.0422 -25.0422 -3.0155 -3.0155 8.0604 8.0604 10.4050 10.4050 10.4449 10.4449 17.8465 17.8465 17.9322 17.9322 18.0759 18.0759 20.4341 20.4341 20.5872 20.5872 22.8408 22.8408 k = 0.5000 0.2513 0.2570 ( 1474 PWs) bands (ev): -53.9673 -53.9673 -26.1158 -26.1158 -25.2053 -25.2053 -25.0410 -25.0410 -3.0134 -3.0134 8.0428 8.0428 10.4087 10.4087 10.4399 10.4399 17.8658 17.8658 17.9354 17.9354 18.0781 18.0781 20.4760 20.4760 20.5978 20.5978 22.7615 22.7615 k = 0.5000 0.2566 0.2495 ( 1472 PWs) bands (ev): -53.9670 -53.9670 -26.1156 -26.1156 -25.2053 -25.2053 -25.0398 -25.0398 -3.0117 -3.0117 8.0271 8.0271 10.4120 10.4120 10.4358 10.4358 17.8891 17.8891 17.9393 17.9393 18.0782 18.0782 20.5161 20.5161 20.6071 20.6071 22.6907 22.6907 k = 0.5000 0.2619 0.2419 ( 1472 PWs) bands (ev): -53.9671 -53.9671 -26.1156 -26.1156 -25.2053 -25.2053 -25.0390 -25.0390 -3.0102 -3.0102 8.0141 8.0141 10.4145 10.4145 10.4323 10.4323 17.9037 17.9037 17.9404 17.9404 18.0814 18.0814 20.5507 20.5507 20.6150 20.6150 22.6281 22.6281 k = 0.5000 0.2673 0.2344 ( 1472 PWs) bands (ev): -53.9673 -53.9673 -26.1155 -26.1155 -25.2054 -25.2054 -25.0382 -25.0382 -3.0090 -3.0090 8.0034 8.0034 10.4163 10.4163 10.4298 10.4298 17.9157 17.9157 17.9410 17.9410 18.0844 18.0844 20.5804 20.5804 20.6215 20.6215 22.5752 22.5752 k = 0.5000 0.2726 0.2268 ( 1472 PWs) bands (ev): -53.9673 -53.9673 -26.1155 -26.1155 -25.2054 -25.2054 -25.0377 -25.0377 -3.0080 -3.0080 7.9951 7.9951 10.4173 10.4173 10.4283 10.4283 17.9248 17.9248 17.9416 17.9416 18.0871 18.0871 20.6046 20.6046 20.6265 20.6265 22.5329 22.5329 k = 0.5000 0.2780 0.2192 ( 1474 PWs) bands (ev): -53.9679 -53.9679 -26.1155 -26.1155 -25.2055 -25.2055 -25.0374 -25.0374 -3.0073 -3.0073 7.9892 7.9892 10.4172 10.4172 10.4272 10.4272 17.9303 17.9303 17.9425 17.9425 18.0884 18.0884 20.6189 20.6189 20.6295 20.6295 22.5020 22.5020 k = 0.5000 0.2833 0.2117 ( 1476 PWs) bands (ev): -53.9685 -53.9685 -26.1155 -26.1155 -25.2056 -25.2056 -25.0373 -25.0373 -3.0069 -3.0069 7.9856 7.9856 10.4168 10.4168 10.4266 10.4266 17.9329 17.9329 17.9435 17.9435 18.0889 18.0889 20.6268 20.6268 20.6304 20.6304 22.4832 22.4832 k = 0.5000 0.2887 0.2041 ( 1476 PWs) bands (ev): -53.9685 -53.9685 -26.1155 -26.1155 -25.2056 -25.2056 -25.0372 -25.0372 -3.0068 -3.0068 7.9844 7.9844 10.4168 10.4168 10.4265 10.4265 17.9336 17.9336 17.9441 17.9441 18.0894 18.0894 20.6298 20.6298 20.6318 20.6318 22.4768 22.4768 k = 0.5000 0.2887 0.2041 ( 1476 PWs) bands (ev): -53.9685 -53.9685 -26.1155 -26.1155 -25.2056 -25.2056 -25.0372 -25.0372 -3.0068 -3.0068 7.9844 7.9844 10.4168 10.4168 10.4265 10.4265 17.9336 17.9336 17.9441 17.9441 18.0894 18.0894 20.6298 20.6298 20.6318 20.6318 22.4768 22.4768 k = 0.4973 0.2871 0.2128 ( 1476 PWs) bands (ev): -53.9685 -53.9685 -26.1155 -26.1155 -25.2056 -25.2056 -25.0373 -25.0373 -3.0069 -3.0069 7.9856 7.9856 10.4168 10.4168 10.4266 10.4266 17.9329 17.9329 17.9435 17.9435 18.0889 18.0889 20.6268 20.6268 20.6304 20.6304 22.4831 22.4831 k = 0.4947 0.2856 0.2215 ( 1474 PWs) bands (ev): -53.9679 -53.9679 -26.1155 -26.1155 -25.2055 -25.2055 -25.0374 -25.0374 -3.0073 -3.0073 7.9891 7.9891 10.4172 10.4172 10.4272 10.4272 17.9304 17.9304 17.9424 17.9424 18.0884 18.0884 20.6204 20.6204 20.6281 20.6281 22.5017 22.5017 k = 0.4920 0.2841 0.2302 ( 1472 PWs) bands (ev): -53.9673 -53.9673 -26.1155 -26.1155 -25.2054 -25.2054 -25.0377 -25.0377 -3.0080 -3.0080 7.9950 7.9950 10.4172 10.4172 10.4284 10.4284 17.9246 17.9246 17.9419 17.9419 18.0871 18.0871 20.6035 20.6035 20.6281 20.6281 22.5323 22.5323 k = 0.4894 0.2825 0.2389 ( 1472 PWs) bands (ev): -53.9672 -53.9672 -26.1155 -26.1155 -25.2054 -25.2054 -25.0382 -25.0382 -3.0090 -3.0090 8.0032 8.0032 10.4162 10.4162 10.4300 10.4300 17.9152 17.9152 17.9418 17.9418 18.0844 18.0844 20.5795 20.5795 20.6231 20.6231 22.5742 22.5742 k = 0.4867 0.2810 0.2476 ( 1470 PWs) bands (ev): -53.9666 -53.9666 -26.1155 -26.1155 -25.2053 -25.2053 -25.0388 -25.0388 -3.0102 -3.0102 8.0138 8.0138 10.4146 10.4146 10.4330 10.4330 17.9031 17.9031 17.9422 17.9422 18.0819 18.0819 20.5515 20.5515 20.6195 20.6195 22.6267 22.6267 k = 0.4840 0.2795 0.2562 ( 1469 PWs) bands (ev): -53.9662 -53.9662 -26.1155 -26.1155 -25.2052 -25.2052 -25.0397 -25.0397 -3.0116 -3.0116 8.0269 8.0269 10.4120 10.4120 10.4365 10.4365 17.8882 17.8882 17.9428 17.9428 18.0797 18.0797 20.5176 20.5176 20.6117 20.6117 22.6887 22.6887 k = 0.4814 0.2779 0.2649 ( 1471 PWs) bands (ev): -53.9665 -53.9665 -26.1157 -26.1157 -25.2052 -25.2052 -25.0408 -25.0408 -3.0134 -3.0134 8.0421 8.0421 10.4087 10.4087 10.4408 10.4408 17.8644 17.8644 17.9437 17.9437 18.0755 18.0755 20.4790 20.4790 20.6022 20.6022 22.7592 22.7592 k = 0.4787 0.2764 0.2736 ( 1473 PWs) bands (ev): -53.9669 -53.9669 -26.1159 -26.1159 -25.2053 -25.2053 -25.0420 -25.0420 -3.0154 -3.0154 8.0594 8.0594 10.4048 10.4048 10.4457 10.4457 17.8385 17.8385 17.9448 17.9448 18.0713 18.0713 20.4366 20.4366 20.5906 20.5906 22.8374 22.8374 k = 0.4761 0.2749 0.2823 ( 1473 PWs) bands (ev): -53.9667 -53.9667 -26.1160 -26.1160 -25.2052 -25.2052 -25.0433 -25.0433 -3.0176 -3.0176 8.0791 8.0791 10.4003 10.4003 10.4515 10.4515 17.8143 17.8143 17.9462 17.9462 18.0671 18.0671 20.3922 20.3922 20.5787 20.5787 22.9232 22.9232 k = 0.4734 0.2733 0.2910 ( 1471 PWs) bands (ev): -53.9659 -53.9659 -26.1161 -26.1161 -25.2051 -25.2051 -25.0446 -25.0446 -3.0201 -3.0201 8.1009 8.1009 10.3956 10.3956 10.4581 10.4581 17.7903 17.7903 17.9455 17.9455 18.0642 18.0642 20.3484 20.3484 20.5662 20.5662 23.0153 23.0153 k = 0.4707 0.2718 0.2997 ( 1469 PWs) bands (ev): -53.9652 -53.9652 -26.1161 -26.1161 -25.2049 -25.2049 -25.0462 -25.0462 -3.0228 -3.0228 8.1254 8.1254 10.3898 10.3898 10.4656 10.4656 17.7623 17.7623 17.9440 17.9440 18.0645 18.0645 20.2998 20.2998 20.5540 20.5540 23.1133 23.1133 k = 0.4681 0.2702 0.3084 ( 1467 PWs) bands (ev): -53.9644 -53.9644 -26.1162 -26.1162 -25.2047 -25.2047 -25.0478 -25.0478 -3.0257 -3.0257 8.1516 8.1516 10.3836 10.3836 10.4734 10.4734 17.7310 17.7310 17.9491 17.9491 18.0608 18.0608 20.2520 20.2520 20.5382 20.5382 23.2168 23.2168 k = 0.4654 0.2687 0.3170 ( 1465 PWs) bands (ev): -53.9636 -53.9636 -26.1163 -26.1163 -25.2046 -25.2046 -25.0495 -25.0495 -3.0288 -3.0288 8.1799 8.1799 10.3766 10.3766 10.4825 10.4825 17.6952 17.6952 17.9552 17.9552 18.0564 18.0564 20.2019 20.2019 20.5247 20.5247 23.3248 23.3248 k = 0.4628 0.2672 0.3257 ( 1469 PWs) bands (ev): -53.9643 -53.9643 -26.1167 -26.1167 -25.2046 -25.2046 -25.0517 -25.0517 -3.0322 -3.0322 8.2102 8.2102 10.3688 10.3688 10.4910 10.4910 17.6592 17.6592 17.9542 17.9542 18.0497 18.0497 20.1488 20.1488 20.5036 20.5036 23.4372 23.4372 k = 0.4601 0.2656 0.3344 ( 1468 PWs) bands (ev): -53.9638 -53.9638 -26.1168 -26.1168 -25.2044 -25.2044 -25.0537 -25.0537 -3.0357 -3.0357 8.2425 8.2425 10.3608 10.3608 10.5006 10.5006 17.6219 17.6219 17.9567 17.9567 18.0473 18.0473 20.0979 20.0979 20.4839 20.4839 23.5538 23.5538 k = 0.4574 0.2641 0.3431 ( 1470 PWs) bands (ev): -53.9640 -53.9640 -26.1171 -26.1171 -25.2044 -25.2044 -25.0559 -25.0559 -3.0394 -3.0394 8.2767 8.2767 10.3516 10.3516 10.5108 10.5108 17.5823 17.5823 17.9574 17.9574 18.0444 18.0444 20.0417 20.0417 20.4629 20.4629 23.6735 23.6735 k = 0.4548 0.2626 0.3518 ( 1472 PWs) bands (ev): -53.9643 -53.9643 -26.1175 -26.1175 -25.2043 -25.2043 -25.0583 -25.0583 -3.0433 -3.0433 8.3129 8.3129 10.3422 10.3422 10.5211 10.5211 17.5402 17.5402 17.9602 17.9602 18.0415 18.0415 19.9879 19.9879 20.4378 20.4378 23.7963 23.7963 k = 0.4521 0.2610 0.3605 ( 1472 PWs) bands (ev): -53.9639 -53.9639 -26.1177 -26.1177 -25.2042 -25.2042 -25.0606 -25.0606 -3.0473 -3.0473 8.3508 8.3508 10.3322 10.3322 10.5324 10.5324 17.4982 17.4982 17.9635 17.9635 18.0398 18.0398 19.9342 19.9342 20.4145 20.4145 23.9225 23.9225 k = 0.4495 0.2595 0.3692 ( 1471 PWs) bands (ev): -53.9633 -53.9633 -26.1180 -26.1180 -25.2039 -25.2039 -25.0631 -25.0631 -3.0515 -3.0515 8.3910 8.3910 10.3215 10.3215 10.5443 10.5443 17.4569 17.4569 17.9647 17.9647 18.0398 18.0398 19.8817 19.8817 20.3907 20.3907 24.0518 24.0518 k = 0.4468 0.2580 0.3778 ( 1471 PWs) bands (ev): -53.9630 -53.9630 -26.1183 -26.1183 -25.2038 -25.2038 -25.0655 -25.0655 -3.0559 -3.0559 8.4324 8.4324 10.3103 10.3103 10.5567 10.5567 17.4124 17.4124 17.9688 17.9688 18.0393 18.0393 19.8281 19.8281 20.3653 20.3653 24.1832 24.1832 k = 0.4441 0.2564 0.3865 ( 1473 PWs) bands (ev): -53.9631 -53.9631 -26.1187 -26.1187 -25.2036 -25.2036 -25.0681 -25.0681 -3.0603 -3.0603 8.4754 8.4754 10.2982 10.2982 10.5694 10.5694 17.3667 17.3667 17.9719 17.9719 18.0376 18.0376 19.7737 19.7737 20.3378 20.3378 24.3166 24.3166 k = 0.4415 0.2549 0.3952 ( 1475 PWs) bands (ev): -53.9633 -53.9633 -26.1191 -26.1191 -25.2035 -25.2035 -25.0708 -25.0708 -3.0649 -3.0649 8.5199 8.5199 10.2858 10.2858 10.5827 10.5827 17.3190 17.3190 17.9728 17.9728 18.0381 18.0381 19.7206 19.7206 20.3103 20.3103 24.4518 24.4518 k = 0.4388 0.2534 0.4039 ( 1475 PWs) bands (ev): -53.9629 -53.9629 -26.1195 -26.1195 -25.2033 -25.2033 -25.0734 -25.0734 -3.0696 -3.0696 8.5659 8.5659 10.2727 10.2727 10.5965 10.5965 17.2715 17.2715 17.9780 17.9780 18.0400 18.0400 19.6682 19.6682 20.2819 20.2819 24.5889 24.5889 k = 0.4362 0.2518 0.4126 ( 1475 PWs) bands (ev): -53.9625 -53.9625 -26.1198 -26.1198 -25.2031 -25.2031 -25.0760 -25.0760 -3.0744 -3.0744 8.6133 8.6133 10.2592 10.2592 10.6104 10.6104 17.2244 17.2244 17.9817 17.9817 18.0440 18.0440 19.6173 19.6173 20.2512 20.2512 24.7277 24.7277 k = 0.4335 0.2503 0.4213 ( 1475 PWs) bands (ev): -53.9621 -53.9621 -26.1202 -26.1202 -25.2029 -25.2029 -25.0786 -25.0786 -3.0793 -3.0793 8.6620 8.6620 10.2449 10.2449 10.6251 10.6251 17.1752 17.1752 17.9877 17.9877 18.0475 18.0475 19.5662 19.5662 20.2208 20.2208 24.8674 24.8674 k = 0.4309 0.2488 0.4300 ( 1474 PWs) bands (ev): -53.9615 -53.9615 -26.1206 -26.1206 -25.2026 -25.2026 -25.0812 -25.0812 -3.0842 -3.0842 8.7121 8.7121 10.2298 10.2298 10.6402 10.6402 17.1283 17.1283 17.9940 17.9940 18.0508 18.0508 19.5162 19.5162 20.1907 20.1907 25.0085 25.0085 k = 0.4282 0.2472 0.4386 ( 1474 PWs) bands (ev): -53.9611 -53.9611 -26.1210 -26.1210 -25.2024 -25.2024 -25.0838 -25.0838 -3.0893 -3.0893 8.7632 8.7632 10.2144 10.2144 10.6557 10.6557 17.0778 17.0778 18.0009 18.0009 18.0562 18.0562 19.4671 19.4671 20.1586 20.1586 25.1499 25.1499 k = 0.4255 0.2457 0.4473 ( 1474 PWs) bands (ev): -53.9607 -53.9607 -26.1215 -26.1215 -25.2021 -25.2021 -25.0865 -25.0865 -3.0943 -3.0943 8.8154 8.8154 10.1981 10.1981 10.6716 10.6716 17.0275 17.0275 18.0073 18.0073 18.0614 18.0614 19.4182 19.4182 20.1283 20.1283 25.2917 25.2917 k = 0.4229 0.2441 0.4560 ( 1474 PWs) bands (ev): -53.9603 -53.9603 -26.1219 -26.1219 -25.2019 -25.2019 -25.0890 -25.0890 -3.0994 -3.0994 8.8686 8.8686 10.1815 10.1815 10.6878 10.6878 16.9758 16.9758 18.0153 18.0153 18.0685 18.0685 19.3717 19.3717 20.0945 20.0945 25.4336 25.4336 k = 0.4202 0.2426 0.4647 ( 1469 PWs) bands (ev): -53.9586 -53.9586 -26.1222 -26.1222 -25.2014 -25.2014 -25.0914 -25.0914 -3.1046 -3.1046 8.9229 8.9229 10.1645 10.1645 10.7042 10.7042 16.9260 16.9260 18.0269 18.0269 18.0789 18.0789 19.3327 19.3327 20.0601 20.0601 25.5765 25.5765 k = 0.4176 0.2411 0.4734 ( 1469 PWs) bands (ev): -53.9582 -53.9582 -26.1227 -26.1227 -25.2012 -25.2012 -25.0938 -25.0938 -3.1097 -3.1097 8.9777 8.9777 10.1467 10.1467 10.7210 10.7210 16.8716 16.8716 18.0362 18.0362 18.0885 18.0885 19.2902 19.2902 20.0248 20.0248 25.7169 25.7169 k = 0.4149 0.2395 0.4821 ( 1469 PWs) bands (ev): -53.9578 -53.9578 -26.1231 -26.1231 -25.2010 -25.2010 -25.0962 -25.0962 -3.1150 -3.1150 9.0332 9.0332 10.1284 10.1284 10.7381 10.7381 16.8183 16.8183 18.0457 18.0457 18.0981 18.0981 19.2483 19.2483 19.9887 19.9887 25.8576 25.8576 k = 0.4122 0.2380 0.4908 ( 1472 PWs) bands (ev): -53.9583 -53.9583 -26.1237 -26.1237 -25.2009 -25.2009 -25.0986 -25.0986 -3.1202 -3.1202 9.0893 9.0893 10.1093 10.1093 10.7551 10.7551 16.7647 16.7647 18.0538 18.0538 18.1062 18.1062 19.2063 19.2063 19.9496 19.9496 25.9969 25.9969 k = 0.4096 0.2365 0.4995 ( 1474 PWs) bands (ev): -53.9584 -53.9584 -26.1243 -26.1243 -25.2008 -25.2008 -25.1009 -25.1009 -3.1255 -3.1255 9.1459 9.1459 10.0898 10.0898 10.7727 10.7727 16.7107 16.7107 18.0629 18.0629 18.1151 18.1151 19.1664 19.1664 19.9120 19.9120 26.1345 26.1345 k = 0.4069 0.2349 0.5081 ( 1474 PWs) bands (ev): -53.9581 -53.9581 -26.1248 -26.1248 -25.2007 -25.2007 -25.1030 -25.1030 -3.1307 -3.1307 9.2030 9.2030 10.0701 10.0701 10.7906 10.7906 16.6566 16.6566 18.0738 18.0738 18.1267 18.1267 19.1307 19.1307 19.8738 19.8738 26.2706 26.2706 k = 0.4043 0.2334 0.5168 ( 1474 PWs) bands (ev): -53.9577 -53.9577 -26.1253 -26.1253 -25.2006 -25.2006 -25.1050 -25.1050 -3.1360 -3.1360 9.2604 9.2604 10.0499 10.0499 10.8088 10.8088 16.6024 16.6024 18.0837 18.0837 18.1364 18.1364 19.0990 19.0990 19.8370 19.8370 26.4037 26.4037 k = 0.4016 0.2319 0.5255 ( 1470 PWs) bands (ev): -53.9564 -53.9564 -26.1256 -26.1256 -25.2003 -25.2003 -25.1066 -25.1066 -3.1413 -3.1413 9.3180 9.3180 10.0293 10.0293 10.8274 10.8274 16.5499 16.5499 18.0988 18.0988 18.1503 18.1503 19.0690 19.0690 19.8017 19.8017 26.5349 26.5349 k = 0.3989 0.2303 0.5342 ( 1468 PWs) bands (ev): -53.9555 -53.9555 -26.1260 -26.1260 -25.2000 -25.2000 -25.1083 -25.1083 -3.1465 -3.1465 9.3757 9.3757 10.0086 10.0086 10.8458 10.8458 16.4954 16.4954 18.1113 18.1113 18.1657 18.1657 19.0426 19.0426 19.7617 19.7617 26.6626 26.6626 k = 0.3963 0.2288 0.5429 ( 1476 PWs) bands (ev): -53.9573 -53.9573 -26.1267 -26.1267 -25.2003 -25.2003 -25.1103 -25.1103 -3.1518 -3.1518 9.4332 9.4332 9.9873 9.9873 10.8638 10.8638 16.4372 16.4372 18.1177 18.1177 18.1751 18.1751 19.0136 19.0136 19.7150 19.7150 26.7839 26.7839 k = 0.3936 0.2273 0.5516 ( 1472 PWs) bands (ev): -53.9561 -53.9561 -26.1270 -26.1270 -25.2000 -25.2000 -25.1117 -25.1117 -3.1571 -3.1571 9.4908 9.4908 9.9662 9.9662 10.8826 10.8826 16.3865 16.3865 18.1302 18.1302 18.1904 18.1904 18.9945 18.9945 19.6741 19.6741 26.9021 26.9021 k = 0.3910 0.2257 0.5603 ( 1476 PWs) bands (ev): -53.9569 -53.9569 -26.1275 -26.1275 -25.2001 -25.2001 -25.1131 -25.1131 -3.1624 -3.1624 9.5476 9.5476 9.9450 9.9450 10.9013 10.9013 16.3297 16.3297 18.1404 18.1404 18.2024 18.2024 18.9712 18.9712 19.6300 19.6300 27.0115 27.0115 k = 0.3883 0.2242 0.5689 ( 1480 PWs) bands (ev): -53.9577 -53.9577 -26.1281 -26.1281 -25.2004 -25.2004 -25.1144 -25.1144 -3.1677 -3.1677 9.6032 9.6032 9.9244 9.9244 10.9204 10.9204 16.2745 16.2745 18.1491 18.1491 18.2145 18.2145 18.9486 18.9486 19.5871 19.5871 27.1144 27.1144 k = 0.3856 0.2226 0.5776 ( 1476 PWs) bands (ev): -53.9565 -53.9565 -26.1283 -26.1283 -25.2001 -25.2001 -25.1153 -25.1153 -3.1730 -3.1730 9.6572 9.6572 9.9056 9.9056 10.9397 10.9397 16.2235 16.2235 18.1621 18.1621 18.2289 18.2289 18.9399 18.9399 19.5448 19.5448 27.2093 27.2093 k = 0.3830 0.2211 0.5863 ( 1478 PWs) bands (ev): -53.9569 -53.9569 -26.1287 -26.1287 -25.2002 -25.2002 -25.1163 -25.1163 -3.1783 -3.1783 9.7064 9.7064 9.8908 9.8908 10.9590 10.9590 16.1690 16.1690 18.1725 18.1725 18.2409 18.2409 18.9282 18.9282 19.4992 19.4992 27.2922 27.2922 k = 0.3803 0.2196 0.5950 ( 1478 PWs) bands (ev): -53.9568 -53.9568 -26.1290 -26.1290 -25.2002 -25.2002 -25.1170 -25.1170 -3.1836 -3.1836 9.7450 9.7450 9.8861 9.8861 10.9785 10.9785 16.1153 16.1153 18.1852 18.1852 18.2534 18.2534 18.9200 18.9200 19.4558 19.4558 27.3617 27.3617 k = 0.3777 0.2180 0.6037 ( 1478 PWs) bands (ev): -53.9566 -53.9566 -26.1292 -26.1292 -25.2003 -25.2003 -25.1175 -25.1175 -3.1890 -3.1890 9.7623 9.7623 9.9022 9.9022 10.9982 10.9982 16.0620 16.0620 18.1978 18.1978 18.2656 18.2656 18.9147 18.9147 19.4120 19.4120 27.4111 27.4111 k = 0.3750 0.2165 0.6124 ( 1480 PWs) bands (ev): -53.9571 -53.9571 -26.1295 -26.1295 -25.2005 -25.2005 -25.1179 -25.1179 -3.1944 -3.1944 9.7578 9.7578 9.9394 9.9394 11.0179 11.0179 16.0091 16.0091 18.2093 18.2093 18.2741 18.2741 18.9108 18.9108 19.3676 19.3676 27.4230 27.4230 k = 0.6250-0.0722 0.4082 ( 1480 PWs) bands (ev): -53.9571 -53.9571 -26.1295 -26.1295 -25.2005 -25.2005 -25.1179 -25.1179 -3.1944 -3.1944 9.7578 9.7578 9.9394 9.9394 11.0179 11.0179 16.0091 16.0091 18.2093 18.2093 18.2741 18.2741 18.9108 18.9108 19.3676 19.3676 27.4230 27.4230 k = 0.6204-0.0802 0.4082 ( 1476 PWs) bands (ev): -53.9558 -53.9558 -26.1296 -26.1296 -25.2005 -25.2005 -25.1181 -25.1181 -3.2040 -3.2040 9.7381 9.7381 10.0173 10.0173 11.0529 11.0529 15.9183 15.9183 18.2347 18.2347 18.2955 18.2955 18.9091 18.9091 19.2958 19.2958 27.3983 27.3983 k = 0.6157-0.0882 0.4082 ( 1476 PWs) bands (ev): -53.9557 -53.9557 -26.1299 -26.1299 -25.2006 -25.2006 -25.1184 -25.1184 -3.2139 -3.2139 9.7191 9.7191 10.0968 10.0968 11.0882 11.0882 15.8271 15.8271 18.2551 18.2551 18.3142 18.3142 18.9056 18.9056 19.2187 19.2187 27.3744 27.3744 k = 0.6111-0.0962 0.4082 ( 1476 PWs) bands (ev): -53.9556 -53.9556 -26.1302 -26.1302 -25.2008 -25.2008 -25.1185 -25.1185 -3.2239 -3.2239 9.7010 9.7010 10.1777 10.1777 11.1241 11.1241 15.7364 15.7364 18.2748 18.2748 18.3322 18.3322 18.9011 18.9011 19.1419 19.1419 27.3516 27.3516 k = 0.6065-0.1042 0.4082 ( 1476 PWs) bands (ev): -53.9554 -53.9554 -26.1304 -26.1304 -25.2010 -25.2010 -25.1186 -25.1186 -3.2341 -3.2341 9.6837 9.6837 10.2599 10.2599 11.1602 11.1602 15.6461 15.6461 18.2936 18.2936 18.3496 18.3496 18.8958 18.8958 19.0656 19.0656 27.3292 27.3292 k = 0.6019-0.1123 0.4082 ( 1476 PWs) bands (ev): -53.9553 -53.9553 -26.1306 -26.1306 -25.2012 -25.2012 -25.1185 -25.1185 -3.2443 -3.2443 9.6672 9.6672 10.3431 10.3431 11.1965 11.1965 15.5565 15.5565 18.3117 18.3117 18.3662 18.3662 18.8896 18.8896 18.9902 18.9902 27.3026 27.3026 k = 0.5972-0.1203 0.4082 ( 1476 PWs) bands (ev): -53.9552 -53.9552 -26.1308 -26.1308 -25.2015 -25.2015 -25.1183 -25.1183 -3.2545 -3.2545 9.6515 9.6515 10.4270 10.4270 11.2329 11.2329 15.4678 15.4678 18.3289 18.3289 18.3820 18.3820 18.8826 18.8826 18.9158 18.9158 27.2458 27.2458 k = 0.5926-0.1283 0.4082 ( 1476 PWs) bands (ev): -53.9550 -53.9550 -26.1309 -26.1309 -25.2018 -25.2018 -25.1180 -25.1180 -3.2646 -3.2646 9.6366 9.6366 10.5115 10.5115 11.2692 11.2692 15.3799 15.3799 18.3454 18.3454 18.3972 18.3972 18.8426 18.8426 18.8749 18.8749 27.1770 27.1770 k = 0.5880-0.1363 0.4082 ( 1476 PWs) bands (ev): -53.9549 -53.9549 -26.1311 -26.1311 -25.2022 -25.2022 -25.1176 -25.1176 -3.2746 -3.2746 9.6225 9.6225 10.5963 10.5963 11.3053 11.3053 15.2932 15.2932 18.3610 18.3610 18.4115 18.4115 18.7712 18.7712 18.8666 18.8666 27.1088 27.1088 k = 0.5833-0.1443 0.4082 ( 1476 PWs) bands (ev): -53.9548 -53.9548 -26.1313 -26.1313 -25.2026 -25.2026 -25.1171 -25.1171 -3.2844 -3.2844 9.6091 9.6091 10.6810 10.6810 11.3411 11.3411 15.2075 15.2075 18.3749 18.3749 18.4214 18.4214 18.7050 18.7050 18.8591 18.8591 27.0427 27.0427 k = 0.5787-0.1524 0.4082 ( 1474 PWs) bands (ev): -53.9541 -53.9541 -26.1313 -26.1313 -25.2028 -25.2028 -25.1165 -25.1165 -3.2941 -3.2941 9.5964 9.5964 10.7659 10.7659 11.3761 11.3761 15.1241 15.1241 18.3911 18.3911 18.4373 18.4373 18.6392 18.6392 18.8480 18.8480 26.9789 26.9789 k = 0.5741-0.1604 0.4082 ( 1472 PWs) bands (ev): -53.9536 -53.9536 -26.1314 -26.1314 -25.2032 -25.2032 -25.1158 -25.1158 -3.3034 -3.3034 9.5846 9.5846 10.8500 10.8500 11.4105 11.4105 15.0439 15.0439 18.4040 18.4040 18.4476 18.4476 18.5753 18.5753 18.8398 18.8398 26.9181 26.9181 k = 0.5694-0.1684 0.4082 ( 1472 PWs) bands (ev): -53.9535 -53.9535 -26.1315 -26.1315 -25.2036 -25.2036 -25.1152 -25.1152 -3.3124 -3.3124 9.5736 9.5736 10.9329 10.9329 11.4440 11.4440 14.9629 14.9629 18.4160 18.4160 18.4527 18.4527 18.5184 18.5184 18.8299 18.8299 26.8597 26.8597 k = 0.5648-0.1764 0.4082 ( 1474 PWs) bands (ev): -53.9540 -53.9540 -26.1317 -26.1317 -25.2041 -25.2041 -25.1147 -25.1147 -3.3211 -3.3211 9.5633 9.5633 11.0146 11.0146 11.4763 11.4763 14.8839 14.8839 18.4228 18.4228 18.4325 18.4325 18.4887 18.4887 18.8186 18.8186 26.8038 26.8038 k = 0.5602-0.1844 0.4082 ( 1474 PWs) bands (ev): -53.9539 -53.9539 -26.1318 -26.1318 -25.2045 -25.2045 -25.1140 -25.1140 -3.3293 -3.3293 9.5537 9.5537 11.0946 11.0946 11.5076 11.5076 14.8072 14.8072 18.3768 18.3768 18.4386 18.4386 18.4913 18.4913 18.8087 18.8087 26.7515 26.7515 k = 0.5556-0.1925 0.4082 ( 1476 PWs) bands (ev): -53.9544 -53.9544 -26.1319 -26.1319 -25.2050 -25.2050 -25.1134 -25.1134 -3.3371 -3.3371 9.5449 9.5449 11.1725 11.1725 11.5374 11.5374 14.7326 14.7326 18.3225 18.3225 18.4464 18.4464 18.4962 18.4962 18.7992 18.7992 26.7021 26.7021 k = 0.5509-0.2005 0.4082 ( 1476 PWs) bands (ev): -53.9543 -53.9543 -26.1320 -26.1320 -25.2054 -25.2054 -25.1128 -25.1128 -3.3444 -3.3444 9.5368 9.5368 11.2477 11.2477 11.5657 11.5657 14.6613 14.6613 18.2721 18.2721 18.4551 18.4551 18.5040 18.5040 18.7897 18.7897 26.6566 26.6566 k = 0.5463-0.2085 0.4082 ( 1472 PWs) bands (ev): -53.9532 -53.9532 -26.1319 -26.1319 -25.2055 -25.2055 -25.1121 -25.1121 -3.3512 -3.3512 9.5295 9.5295 11.3197 11.3197 11.5923 11.5923 14.5935 14.5935 18.2253 18.2253 18.4665 18.4665 18.5147 18.5147 18.7866 18.7866 26.6147 26.6147 k = 0.5417-0.2165 0.4082 ( 1472 PWs) bands (ev): -53.9532 -53.9532 -26.1320 -26.1320 -25.2059 -25.2059 -25.1114 -25.1114 -3.3574 -3.3574 9.5228 9.5228 11.3878 11.3878 11.6171 11.6171 14.5293 14.5293 18.1818 18.1818 18.4736 18.4736 18.5218 18.5218 18.7780 18.7780 26.5764 26.5764 k = 0.5370-0.2245 0.4082 ( 1472 PWs) bands (ev): -53.9531 -53.9531 -26.1320 -26.1320 -25.2063 -25.2063 -25.1109 -25.1109 -3.3631 -3.3631 9.5169 9.5169 11.4515 11.4515 11.6399 11.6399 14.4694 14.4694 18.1423 18.1423 18.4799 18.4799 18.5282 18.5282 18.7700 18.7700 26.5420 26.5420 k = 0.5324-0.2325 0.4082 ( 1472 PWs) bands (ev): -53.9531 -53.9531 -26.1321 -26.1321 -25.2066 -25.2066 -25.1103 -25.1103 -3.3681 -3.3681 9.5117 9.5117 11.5099 11.5099 11.6607 11.6607 14.4144 14.4144 18.1069 18.1069 18.4854 18.4854 18.5340 18.5340 18.7627 18.7627 26.5113 26.5113 k = 0.5278-0.2406 0.4082 ( 1472 PWs) bands (ev): -53.9530 -53.9530 -26.1321 -26.1321 -25.2069 -25.2069 -25.1098 -25.1098 -3.3726 -3.3726 9.5072 9.5072 11.5621 11.5621 11.6793 11.6793 14.3631 14.3631 18.0788 18.0788 18.4934 18.4934 18.5427 18.5427 18.7509 18.7509 26.4845 26.4845 k = 0.5231-0.2486 0.4082 ( 1472 PWs) bands (ev): -53.9529 -53.9529 -26.1322 -26.1322 -25.2071 -25.2071 -25.1094 -25.1094 -3.3763 -3.3763 9.5034 9.5034 11.6074 11.6074 11.6961 11.6961 14.3196 14.3196 18.0524 18.0524 18.4974 18.4974 18.5470 18.5470 18.7453 18.7453 26.4618 26.4618 k = 0.5185-0.2566 0.4082 ( 1468 PWs) bands (ev): -53.9518 -53.9518 -26.1320 -26.1320 -25.2072 -25.2072 -25.1088 -25.1088 -3.3794 -3.3794 9.5003 9.5003 11.6445 11.6445 11.7112 11.7112 14.2831 14.2831 18.0391 18.0391 18.5014 18.5014 18.5512 18.5512 18.7430 18.7430 26.4442 26.4442 k = 0.5139-0.2646 0.4082 ( 1460 PWs) bands (ev): -53.9497 -53.9497 -26.1318 -26.1318 -25.2070 -25.2070 -25.1080 -25.1080 -3.3819 -3.3819 9.4979 9.4979 11.6724 11.6724 11.7249 11.7249 14.2548 14.2548 18.0332 18.0332 18.5084 18.5084 18.5589 18.5589 18.7419 18.7419 26.4310 26.4310 k = 0.5093-0.2726 0.4082 ( 1464 PWs) bands (ev): -53.9507 -53.9507 -26.1319 -26.1319 -25.2073 -25.2073 -25.1081 -25.1081 -3.3836 -3.3836 9.4961 9.4961 11.6907 11.6907 11.7367 11.7367 14.2315 14.2315 18.0168 18.0168 18.5088 18.5088 18.5597 18.5597 18.7374 18.7374 26.4197 26.4197 k = 0.5046-0.2807 0.4082 ( 1468 PWs) bands (ev): -53.9517 -53.9517 -26.1321 -26.1321 -25.2075 -25.2075 -25.1082 -25.1082 -3.3847 -3.3847 9.4951 9.4951 11.7007 11.7007 11.7450 11.7450 14.2184 14.2184 18.0036 18.0036 18.5068 18.5068 18.5578 18.5578 18.7353 18.7353 26.4129 26.4129 k = 0.5000-0.2887 0.4082 ( 1476 PWs) bands (ev): -53.9538 -53.9538 -26.1324 -26.1324 -25.2078 -25.2078 -25.1086 -25.1086 -3.3850 -3.3850 9.4947 9.4947 11.7037 11.7037 11.7481 11.7481 14.2093 14.2093 17.9964 17.9964 18.5030 18.5030 18.5533 18.5533 18.7325 18.7325 26.4093 26.4093 Writing output data file CrO.save init_run : 0.05s CPU 0.42s WALL ( 1 calls) electrons : 47.96s CPU 50.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 47.96s CPU 50.74s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 500 calls) cegterg : 44.55s CPU 45.73s WALL ( 651 calls) Called by sum_band: Called by *egterg: h_psi : 17.26s CPU 18.30s WALL ( 9188 calls) s_psi : 0.22s CPU 0.28s WALL ( 9188 calls) g_psi : 0.05s CPU 0.05s WALL ( 8037 calls) cdiaghg : 25.53s CPU 25.80s WALL ( 8537 calls) cegterg:over : 1.59s CPU 1.47s WALL ( 8037 calls) cegterg:upda : 1.05s CPU 1.07s WALL ( 8037 calls) cegterg:last : 0.47s CPU 0.51s WALL ( 1415 calls) cdiaghg:chol : 1.30s CPU 1.31s WALL ( 8537 calls) cdiaghg:inve : 0.57s CPU 0.56s WALL ( 8537 calls) cdiaghg:para : 1.50s CPU 1.59s WALL ( 17074 calls) Called by h_psi: h_psi:vloc : 15.61s CPU 16.51s WALL ( 9188 calls) h_psi:vnl : 1.63s CPU 1.75s WALL ( 9188 calls) add_vuspsi : 0.92s CPU 0.94s WALL ( 9188 calls) General routines calbec : 0.67s CPU 0.79s WALL ( 9188 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.76s CPU 15.57s WALL ( 501404 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.11s WALL ( 1000 calls) Parallel routines fft_scatter : 8.93s CPU 9.53s WALL ( 501427 calls) PWSCF : 0m57.06s CPU 1m22.14s WALL This run was terminated on: 17:36:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=