Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RuC.save/ file Ru.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 16 9 2 344 145 24 Max 17 10 3 350 158 29 Sum 769 439 139 16629 7243 1303 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.4950 a.u. unit-cell volume = 139.4462 (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 = 53.0000 Ry charge density cutoff = 368.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.495040 celldm(2)= 1.000000 celldm(3)= 0.970428 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 0.970428 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.030473 ) PseudoPot. # 1 for Ru read from file: /home/autes/Pseudo/Ru.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 0c52cdb75a9e7ce306835bb52173403e Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 Ru 16.00 101.07000 Ru( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops. (no 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 [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 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) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 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) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 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 [1,-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 [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] 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 ) ( 0 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. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 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. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -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) = ( 1 1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 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_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 523 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 2) = ( 0.0079365 0.0045821 -0.0000000), wk = 0.0019120 k( 3) = ( 0.0158730 0.0091643 -0.0000000), wk = 0.0019120 k( 4) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0019120 k( 5) = ( 0.0317460 0.0183286 -0.0000000), wk = 0.0019120 k( 6) = ( 0.0396825 0.0229107 -0.0000000), wk = 0.0019120 k( 7) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0019120 k( 8) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0019120 k( 9) = ( 0.0634921 0.0366572 -0.0000000), wk = 0.0019120 k( 10) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0019120 k( 11) = ( 0.0793651 0.0458215 -0.0000000), wk = 0.0019120 k( 12) = ( 0.0873016 0.0504036 -0.0000000), wk = 0.0019120 k( 13) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0019120 k( 14) = ( 0.1031746 0.0595679 -0.0000000), wk = 0.0019120 k( 15) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0019120 k( 16) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0019120 k( 17) = ( 0.1269841 0.0733143 -0.0000000), wk = 0.0019120 k( 18) = ( 0.1349206 0.0778965 -0.0000000), wk = 0.0019120 k( 19) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0019120 k( 20) = ( 0.1507937 0.0870608 -0.0000000), wk = 0.0019120 k( 21) = ( 0.1587302 0.0916429 -0.0000000), wk = 0.0019120 k( 22) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0019120 k( 23) = ( 0.1746032 0.1008072 -0.0000000), wk = 0.0019120 k( 24) = ( 0.1825397 0.1053893 -0.0000000), wk = 0.0019120 k( 25) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0019120 k( 26) = ( 0.1984127 0.1145536 -0.0000000), wk = 0.0019120 k( 27) = ( 0.2063492 0.1191358 -0.0000000), wk = 0.0019120 k( 28) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0019120 k( 29) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0019120 k( 30) = ( 0.2301587 0.1328822 -0.0000000), wk = 0.0019120 k( 31) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0019120 k( 32) = ( 0.2460317 0.1420465 -0.0000000), wk = 0.0019120 k( 33) = ( 0.2539683 0.1466286 -0.0000000), wk = 0.0019120 k( 34) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0019120 k( 35) = ( 0.2698413 0.1557929 -0.0000000), wk = 0.0019120 k( 36) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0019120 k( 37) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0019120 k( 38) = ( 0.2936508 0.1695394 -0.0000000), wk = 0.0019120 k( 39) = ( 0.3015873 0.1741215 -0.0000000), wk = 0.0019120 k( 40) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0019120 k( 41) = ( 0.3174603 0.1832858 -0.0000000), wk = 0.0019120 k( 42) = ( 0.3253968 0.1878679 -0.0000000), wk = 0.0019120 k( 43) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0019120 k( 44) = ( 0.3412698 0.1970322 -0.0000000), wk = 0.0019120 k( 45) = ( 0.3492063 0.2016144 -0.0000000), wk = 0.0019120 k( 46) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0019120 k( 47) = ( 0.3650794 0.2107787 -0.0000000), wk = 0.0019120 k( 48) = ( 0.3730159 0.2153608 -0.0000000), wk = 0.0019120 k( 49) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0019120 k( 50) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0019120 k( 51) = ( 0.3968254 0.2291073 -0.0000000), wk = 0.0019120 k( 52) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0019120 k( 53) = ( 0.4126984 0.2382715 -0.0000000), wk = 0.0019120 k( 54) = ( 0.4206349 0.2428537 -0.0000000), wk = 0.0019120 k( 55) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0019120 k( 56) = ( 0.4365079 0.2520180 -0.0000000), wk = 0.0019120 k( 57) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0019120 k( 58) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0019120 k( 59) = ( 0.4603175 0.2657644 -0.0000000), wk = 0.0019120 k( 60) = ( 0.4682540 0.2703466 -0.0000000), wk = 0.0019120 k( 61) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0019120 k( 62) = ( 0.4841270 0.2795108 -0.0000000), wk = 0.0019120 k( 63) = ( 0.4920635 0.2840930 -0.0000000), wk = 0.0019120 k( 64) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019120 k( 65) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019120 k( 66) = ( 0.4954955 0.2964772 -0.0000000), wk = 0.0019120 k( 67) = ( 0.4909910 0.3042792 -0.0000000), wk = 0.0019120 k( 68) = ( 0.4864865 0.3120812 -0.0000000), wk = 0.0019120 k( 69) = ( 0.4819820 0.3198833 -0.0000000), wk = 0.0019120 k( 70) = ( 0.4774775 0.3276853 -0.0000000), wk = 0.0019120 k( 71) = ( 0.4729730 0.3354873 -0.0000000), wk = 0.0019120 k( 72) = ( 0.4684685 0.3432893 -0.0000000), wk = 0.0019120 k( 73) = ( 0.4639640 0.3510914 -0.0000000), wk = 0.0019120 k( 74) = ( 0.4594595 0.3588934 -0.0000000), wk = 0.0019120 k( 75) = ( 0.4549550 0.3666954 -0.0000000), wk = 0.0019120 k( 76) = ( 0.4504505 0.3744975 -0.0000000), wk = 0.0019120 k( 77) = ( 0.4459459 0.3822995 -0.0000000), wk = 0.0019120 k( 78) = ( 0.4414414 0.3901015 -0.0000000), wk = 0.0019120 k( 79) = ( 0.4369369 0.3979036 -0.0000000), wk = 0.0019120 k( 80) = ( 0.4324324 0.4057056 -0.0000000), wk = 0.0019120 k( 81) = ( 0.4279279 0.4135076 -0.0000000), wk = 0.0019120 k( 82) = ( 0.4234234 0.4213097 -0.0000000), wk = 0.0019120 k( 83) = ( 0.4189189 0.4291117 -0.0000000), wk = 0.0019120 k( 84) = ( 0.4144144 0.4369137 -0.0000000), wk = 0.0019120 k( 85) = ( 0.4099099 0.4447157 -0.0000000), wk = 0.0019120 k( 86) = ( 0.4054054 0.4525178 -0.0000000), wk = 0.0019120 k( 87) = ( 0.4009009 0.4603198 -0.0000000), wk = 0.0019120 k( 88) = ( 0.3963964 0.4681218 -0.0000000), wk = 0.0019120 k( 89) = ( 0.3918919 0.4759239 -0.0000000), wk = 0.0019120 k( 90) = ( 0.3873874 0.4837259 -0.0000000), wk = 0.0019120 k( 91) = ( 0.3828829 0.4915279 -0.0000000), wk = 0.0019120 k( 92) = ( 0.3783784 0.4993300 -0.0000000), wk = 0.0019120 k( 93) = ( 0.3738739 0.5071320 -0.0000000), wk = 0.0019120 k( 94) = ( 0.3693694 0.5149340 -0.0000000), wk = 0.0019120 k( 95) = ( 0.3648649 0.5227361 -0.0000000), wk = 0.0019120 k( 96) = ( 0.3603604 0.5305381 -0.0000000), wk = 0.0019120 k( 97) = ( 0.3558559 0.5383401 -0.0000000), wk = 0.0019120 k( 98) = ( 0.3513514 0.5461421 -0.0000000), wk = 0.0019120 k( 99) = ( 0.3468468 0.5539442 -0.0000000), wk = 0.0019120 k( 100) = ( 0.3423423 0.5617462 -0.0000000), wk = 0.0019120 k( 101) = ( 0.3378378 0.5695482 -0.0000000), wk = 0.0019120 k( 102) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019120 k( 103) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019120 k( 104) = ( 0.3287671 0.5694414 -0.0000000), wk = 0.0019120 k( 105) = ( 0.3242009 0.5615324 -0.0000000), wk = 0.0019120 k( 106) = ( 0.3196347 0.5536235 -0.0000000), wk = 0.0019120 k( 107) = ( 0.3150685 0.5457146 -0.0000000), wk = 0.0019120 k( 108) = ( 0.3105023 0.5378057 -0.0000000), wk = 0.0019120 k( 109) = ( 0.3059361 0.5298968 -0.0000000), wk = 0.0019120 k( 110) = ( 0.3013699 0.5219879 -0.0000000), wk = 0.0019120 k( 111) = ( 0.2968036 0.5140790 -0.0000000), wk = 0.0019120 k( 112) = ( 0.2922374 0.5061701 -0.0000000), wk = 0.0019120 k( 113) = ( 0.2876712 0.4982612 -0.0000000), wk = 0.0019120 k( 114) = ( 0.2831050 0.4903523 -0.0000000), wk = 0.0019120 k( 115) = ( 0.2785388 0.4824434 -0.0000000), wk = 0.0019120 k( 116) = ( 0.2739726 0.4745345 -0.0000000), wk = 0.0019120 k( 117) = ( 0.2694064 0.4666256 -0.0000000), wk = 0.0019120 k( 118) = ( 0.2648402 0.4587166 -0.0000000), wk = 0.0019120 k( 119) = ( 0.2602740 0.4508077 -0.0000000), wk = 0.0019120 k( 120) = ( 0.2557078 0.4428988 -0.0000000), wk = 0.0019120 k( 121) = ( 0.2511415 0.4349899 -0.0000000), wk = 0.0019120 k( 122) = ( 0.2465753 0.4270810 -0.0000000), wk = 0.0019120 k( 123) = ( 0.2420091 0.4191721 -0.0000000), wk = 0.0019120 k( 124) = ( 0.2374429 0.4112632 -0.0000000), wk = 0.0019120 k( 125) = ( 0.2328767 0.4033543 -0.0000000), wk = 0.0019120 k( 126) = ( 0.2283105 0.3954454 -0.0000000), wk = 0.0019120 k( 127) = ( 0.2237443 0.3875365 -0.0000000), wk = 0.0019120 k( 128) = ( 0.2191781 0.3796276 -0.0000000), wk = 0.0019120 k( 129) = ( 0.2146119 0.3717187 -0.0000000), wk = 0.0019120 k( 130) = ( 0.2100457 0.3638098 -0.0000000), wk = 0.0019120 k( 131) = ( 0.2054795 0.3559008 -0.0000000), wk = 0.0019120 k( 132) = ( 0.2009132 0.3479919 -0.0000000), wk = 0.0019120 k( 133) = ( 0.1963470 0.3400830 -0.0000000), wk = 0.0019120 k( 134) = ( 0.1917808 0.3321741 -0.0000000), wk = 0.0019120 k( 135) = ( 0.1872146 0.3242652 -0.0000000), wk = 0.0019120 k( 136) = ( 0.1826484 0.3163563 -0.0000000), wk = 0.0019120 k( 137) = ( 0.1780822 0.3084474 -0.0000000), wk = 0.0019120 k( 138) = ( 0.1735160 0.3005385 -0.0000000), wk = 0.0019120 k( 139) = ( 0.1689498 0.2926296 -0.0000000), wk = 0.0019120 k( 140) = ( 0.1643836 0.2847207 -0.0000000), wk = 0.0019120 k( 141) = ( 0.1598173 0.2768118 -0.0000000), wk = 0.0019120 k( 142) = ( 0.1552511 0.2689029 -0.0000000), wk = 0.0019120 k( 143) = ( 0.1506849 0.2609940 -0.0000000), wk = 0.0019120 k( 144) = ( 0.1461187 0.2530850 -0.0000000), wk = 0.0019120 k( 145) = ( 0.1415525 0.2451761 -0.0000000), wk = 0.0019120 k( 146) = ( 0.1369863 0.2372672 -0.0000000), wk = 0.0019120 k( 147) = ( 0.1324201 0.2293583 -0.0000000), wk = 0.0019120 k( 148) = ( 0.1278539 0.2214494 -0.0000000), wk = 0.0019120 k( 149) = ( 0.1232877 0.2135405 -0.0000000), wk = 0.0019120 k( 150) = ( 0.1187215 0.2056316 -0.0000000), wk = 0.0019120 k( 151) = ( 0.1141552 0.1977227 -0.0000000), wk = 0.0019120 k( 152) = ( 0.1095890 0.1898138 -0.0000000), wk = 0.0019120 k( 153) = ( 0.1050228 0.1819049 -0.0000000), wk = 0.0019120 k( 154) = ( 0.1004566 0.1739960 -0.0000000), wk = 0.0019120 k( 155) = ( 0.0958904 0.1660871 -0.0000000), wk = 0.0019120 k( 156) = ( 0.0913242 0.1581782 -0.0000000), wk = 0.0019120 k( 157) = ( 0.0867580 0.1502692 -0.0000000), wk = 0.0019120 k( 158) = ( 0.0821918 0.1423603 -0.0000000), wk = 0.0019120 k( 159) = ( 0.0776256 0.1344514 -0.0000000), wk = 0.0019120 k( 160) = ( 0.0730594 0.1265425 -0.0000000), wk = 0.0019120 k( 161) = ( 0.0684932 0.1186336 -0.0000000), wk = 0.0019120 k( 162) = ( 0.0639269 0.1107247 -0.0000000), wk = 0.0019120 k( 163) = ( 0.0593607 0.1028158 -0.0000000), wk = 0.0019120 k( 164) = ( 0.0547945 0.0949069 -0.0000000), wk = 0.0019120 k( 165) = ( 0.0502283 0.0869980 -0.0000000), wk = 0.0019120 k( 166) = ( 0.0456621 0.0790891 -0.0000000), wk = 0.0019120 k( 167) = ( 0.0410959 0.0711802 -0.0000000), wk = 0.0019120 k( 168) = ( 0.0365297 0.0632713 -0.0000000), wk = 0.0019120 k( 169) = ( 0.0319635 0.0553624 -0.0000000), wk = 0.0019120 k( 170) = ( 0.0273973 0.0474534 -0.0000000), wk = 0.0019120 k( 171) = ( 0.0228310 0.0395445 -0.0000000), wk = 0.0019120 k( 172) = ( 0.0182648 0.0316356 -0.0000000), wk = 0.0019120 k( 173) = ( 0.0136986 0.0237267 -0.0000000), wk = 0.0019120 k( 174) = ( 0.0091324 0.0158178 -0.0000000), wk = 0.0019120 k( 175) = ( 0.0045662 0.0079089 -0.0000000), wk = 0.0019120 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 178) = ( 0.0000000 0.0000000 0.0092006), wk = 0.0019120 k( 179) = ( 0.0000000 0.0000000 0.0184013), wk = 0.0019120 k( 180) = ( 0.0000000 0.0000000 0.0276019), wk = 0.0019120 k( 181) = ( 0.0000000 0.0000000 0.0368026), wk = 0.0019120 k( 182) = ( 0.0000000 0.0000000 0.0460033), wk = 0.0019120 k( 183) = ( 0.0000000 0.0000000 0.0552039), wk = 0.0019120 k( 184) = ( 0.0000000 0.0000000 0.0644046), wk = 0.0019120 k( 185) = ( 0.0000000 0.0000000 0.0736052), wk = 0.0019120 k( 186) = ( 0.0000000 0.0000000 0.0828058), wk = 0.0019120 k( 187) = ( 0.0000000 0.0000000 0.0920065), wk = 0.0019120 k( 188) = ( 0.0000000 0.0000000 0.1012072), wk = 0.0019120 k( 189) = ( 0.0000000 0.0000000 0.1104078), wk = 0.0019120 k( 190) = ( 0.0000000 0.0000000 0.1196085), wk = 0.0019120 k( 191) = ( 0.0000000 0.0000000 0.1288091), wk = 0.0019120 k( 192) = ( 0.0000000 0.0000000 0.1380097), wk = 0.0019120 k( 193) = ( 0.0000000 0.0000000 0.1472104), wk = 0.0019120 k( 194) = ( 0.0000000 0.0000000 0.1564110), wk = 0.0019120 k( 195) = ( 0.0000000 0.0000000 0.1656117), wk = 0.0019120 k( 196) = ( 0.0000000 0.0000000 0.1748124), wk = 0.0019120 k( 197) = ( 0.0000000 0.0000000 0.1840130), wk = 0.0019120 k( 198) = ( 0.0000000 0.0000000 0.1932137), wk = 0.0019120 k( 199) = ( 0.0000000 0.0000000 0.2024143), wk = 0.0019120 k( 200) = ( 0.0000000 0.0000000 0.2116149), wk = 0.0019120 k( 201) = ( 0.0000000 0.0000000 0.2208156), wk = 0.0019120 k( 202) = ( 0.0000000 0.0000000 0.2300163), wk = 0.0019120 k( 203) = ( 0.0000000 0.0000000 0.2392169), wk = 0.0019120 k( 204) = ( 0.0000000 0.0000000 0.2484176), wk = 0.0019120 k( 205) = ( 0.0000000 0.0000000 0.2576182), wk = 0.0019120 k( 206) = ( 0.0000000 0.0000000 0.2668189), wk = 0.0019120 k( 207) = ( 0.0000000 0.0000000 0.2760195), wk = 0.0019120 k( 208) = ( 0.0000000 0.0000000 0.2852201), wk = 0.0019120 k( 209) = ( 0.0000000 0.0000000 0.2944208), wk = 0.0019120 k( 210) = ( 0.0000000 0.0000000 0.3036215), wk = 0.0019120 k( 211) = ( 0.0000000 0.0000000 0.3128221), wk = 0.0019120 k( 212) = ( 0.0000000 0.0000000 0.3220228), wk = 0.0019120 k( 213) = ( 0.0000000 0.0000000 0.3312234), wk = 0.0019120 k( 214) = ( 0.0000000 0.0000000 0.3404240), wk = 0.0019120 k( 215) = ( 0.0000000 0.0000000 0.3496247), wk = 0.0019120 k( 216) = ( 0.0000000 0.0000000 0.3588254), wk = 0.0019120 k( 217) = ( 0.0000000 0.0000000 0.3680260), wk = 0.0019120 k( 218) = ( 0.0000000 0.0000000 0.3772267), wk = 0.0019120 k( 219) = ( 0.0000000 0.0000000 0.3864273), wk = 0.0019120 k( 220) = ( 0.0000000 0.0000000 0.3956280), wk = 0.0019120 k( 221) = ( 0.0000000 0.0000000 0.4048286), wk = 0.0019120 k( 222) = ( 0.0000000 0.0000000 0.4140292), wk = 0.0019120 k( 223) = ( 0.0000000 0.0000000 0.4232299), wk = 0.0019120 k( 224) = ( 0.0000000 0.0000000 0.4324306), wk = 0.0019120 k( 225) = ( 0.0000000 0.0000000 0.4416312), wk = 0.0019120 k( 226) = ( 0.0000000 0.0000000 0.4508319), wk = 0.0019120 k( 227) = ( 0.0000000 0.0000000 0.4600325), wk = 0.0019120 k( 228) = ( 0.0000000 0.0000000 0.4692332), wk = 0.0019120 k( 229) = ( 0.0000000 0.0000000 0.4784338), wk = 0.0019120 k( 230) = ( 0.0000000 0.0000000 0.4876345), wk = 0.0019120 k( 231) = ( 0.0000000 0.0000000 0.4968351), wk = 0.0019120 k( 232) = ( 0.0000000 0.0000000 0.5060358), wk = 0.0019120 k( 233) = ( 0.0000000 0.0000000 0.5152364), wk = 0.0019120 k( 234) = ( 0.0000000 0.0000000 0.5152364), wk = 0.0019120 k( 235) = ( 0.0079365 0.0045821 0.5152364), wk = 0.0019120 k( 236) = ( 0.0158730 0.0091643 0.5152364), wk = 0.0019120 k( 237) = ( 0.0238095 0.0137464 0.5152364), wk = 0.0019120 k( 238) = ( 0.0317460 0.0183286 0.5152364), wk = 0.0019120 k( 239) = ( 0.0396825 0.0229107 0.5152364), wk = 0.0019120 k( 240) = ( 0.0476191 0.0274929 0.5152364), wk = 0.0019120 k( 241) = ( 0.0555556 0.0320750 0.5152364), wk = 0.0019120 k( 242) = ( 0.0634921 0.0366572 0.5152364), wk = 0.0019120 k( 243) = ( 0.0714286 0.0412393 0.5152364), wk = 0.0019120 k( 244) = ( 0.0793651 0.0458215 0.5152364), wk = 0.0019120 k( 245) = ( 0.0873016 0.0504036 0.5152364), wk = 0.0019120 k( 246) = ( 0.0952381 0.0549857 0.5152364), wk = 0.0019120 k( 247) = ( 0.1031746 0.0595679 0.5152364), wk = 0.0019120 k( 248) = ( 0.1111111 0.0641500 0.5152364), wk = 0.0019120 k( 249) = ( 0.1190476 0.0687322 0.5152364), wk = 0.0019120 k( 250) = ( 0.1269841 0.0733143 0.5152364), wk = 0.0019120 k( 251) = ( 0.1349206 0.0778965 0.5152364), wk = 0.0019120 k( 252) = ( 0.1428571 0.0824786 0.5152364), wk = 0.0019120 k( 253) = ( 0.1507937 0.0870608 0.5152364), wk = 0.0019120 k( 254) = ( 0.1587302 0.0916429 0.5152364), wk = 0.0019120 k( 255) = ( 0.1666667 0.0962250 0.5152364), wk = 0.0019120 k( 256) = ( 0.1746032 0.1008072 0.5152364), wk = 0.0019120 k( 257) = ( 0.1825397 0.1053893 0.5152364), wk = 0.0019120 k( 258) = ( 0.1904762 0.1099715 0.5152364), wk = 0.0019120 k( 259) = ( 0.1984127 0.1145536 0.5152364), wk = 0.0019120 k( 260) = ( 0.2063492 0.1191358 0.5152364), wk = 0.0019120 k( 261) = ( 0.2142857 0.1237179 0.5152364), wk = 0.0019120 k( 262) = ( 0.2222222 0.1283001 0.5152364), wk = 0.0019120 k( 263) = ( 0.2301587 0.1328822 0.5152364), wk = 0.0019120 k( 264) = ( 0.2380952 0.1374644 0.5152364), wk = 0.0019120 k( 265) = ( 0.2460317 0.1420465 0.5152364), wk = 0.0019120 k( 266) = ( 0.2539683 0.1466286 0.5152364), wk = 0.0019120 k( 267) = ( 0.2619048 0.1512108 0.5152364), wk = 0.0019120 k( 268) = ( 0.2698413 0.1557929 0.5152364), wk = 0.0019120 k( 269) = ( 0.2777778 0.1603751 0.5152364), wk = 0.0019120 k( 270) = ( 0.2857143 0.1649572 0.5152364), wk = 0.0019120 k( 271) = ( 0.2936508 0.1695394 0.5152364), wk = 0.0019120 k( 272) = ( 0.3015873 0.1741215 0.5152364), wk = 0.0019120 k( 273) = ( 0.3095238 0.1787037 0.5152364), wk = 0.0019120 k( 274) = ( 0.3174603 0.1832858 0.5152364), wk = 0.0019120 k( 275) = ( 0.3253968 0.1878679 0.5152364), wk = 0.0019120 k( 276) = ( 0.3333333 0.1924501 0.5152364), wk = 0.0019120 k( 277) = ( 0.3412698 0.1970322 0.5152364), wk = 0.0019120 k( 278) = ( 0.3492063 0.2016144 0.5152364), wk = 0.0019120 k( 279) = ( 0.3571429 0.2061965 0.5152364), wk = 0.0019120 k( 280) = ( 0.3650794 0.2107787 0.5152364), wk = 0.0019120 k( 281) = ( 0.3730159 0.2153608 0.5152364), wk = 0.0019120 k( 282) = ( 0.3809524 0.2199430 0.5152364), wk = 0.0019120 k( 283) = ( 0.3888889 0.2245251 0.5152364), wk = 0.0019120 k( 284) = ( 0.3968254 0.2291073 0.5152364), wk = 0.0019120 k( 285) = ( 0.4047619 0.2336894 0.5152364), wk = 0.0019120 k( 286) = ( 0.4126984 0.2382715 0.5152364), wk = 0.0019120 k( 287) = ( 0.4206349 0.2428537 0.5152364), wk = 0.0019120 k( 288) = ( 0.4285714 0.2474358 0.5152364), wk = 0.0019120 k( 289) = ( 0.4365079 0.2520180 0.5152364), wk = 0.0019120 k( 290) = ( 0.4444444 0.2566001 0.5152364), wk = 0.0019120 k( 291) = ( 0.4523810 0.2611823 0.5152364), wk = 0.0019120 k( 292) = ( 0.4603175 0.2657644 0.5152364), wk = 0.0019120 k( 293) = ( 0.4682540 0.2703466 0.5152364), wk = 0.0019120 k( 294) = ( 0.4761905 0.2749287 0.5152364), wk = 0.0019120 k( 295) = ( 0.4841270 0.2795108 0.5152364), wk = 0.0019120 k( 296) = ( 0.4920635 0.2840930 0.5152364), wk = 0.0019120 k( 297) = ( 0.5000000 0.2886751 0.5152364), wk = 0.0019120 k( 298) = ( 0.5000000 0.2886751 0.5152364), wk = 0.0019120 k( 299) = ( 0.4954955 0.2964772 0.5152364), wk = 0.0019120 k( 300) = ( 0.4909910 0.3042792 0.5152364), wk = 0.0019120 k( 301) = ( 0.4864865 0.3120812 0.5152364), wk = 0.0019120 k( 302) = ( 0.4819820 0.3198833 0.5152364), wk = 0.0019120 k( 303) = ( 0.4774775 0.3276853 0.5152364), wk = 0.0019120 k( 304) = ( 0.4729730 0.3354873 0.5152364), wk = 0.0019120 k( 305) = ( 0.4684685 0.3432893 0.5152364), wk = 0.0019120 k( 306) = ( 0.4639640 0.3510914 0.5152364), wk = 0.0019120 k( 307) = ( 0.4594595 0.3588934 0.5152364), wk = 0.0019120 k( 308) = ( 0.4549550 0.3666954 0.5152364), wk = 0.0019120 k( 309) = ( 0.4504505 0.3744975 0.5152364), wk = 0.0019120 k( 310) = ( 0.4459459 0.3822995 0.5152364), wk = 0.0019120 k( 311) = ( 0.4414414 0.3901015 0.5152364), wk = 0.0019120 k( 312) = ( 0.4369369 0.3979036 0.5152364), wk = 0.0019120 k( 313) = ( 0.4324324 0.4057056 0.5152364), wk = 0.0019120 k( 314) = ( 0.4279279 0.4135076 0.5152364), wk = 0.0019120 k( 315) = ( 0.4234234 0.4213097 0.5152364), wk = 0.0019120 k( 316) = ( 0.4189189 0.4291117 0.5152364), wk = 0.0019120 k( 317) = ( 0.4144144 0.4369137 0.5152364), wk = 0.0019120 k( 318) = ( 0.4099099 0.4447157 0.5152364), wk = 0.0019120 k( 319) = ( 0.4054054 0.4525178 0.5152364), wk = 0.0019120 k( 320) = ( 0.4009009 0.4603198 0.5152364), wk = 0.0019120 k( 321) = ( 0.3963964 0.4681218 0.5152364), wk = 0.0019120 k( 322) = ( 0.3918919 0.4759239 0.5152364), wk = 0.0019120 k( 323) = ( 0.3873874 0.4837259 0.5152364), wk = 0.0019120 k( 324) = ( 0.3828829 0.4915279 0.5152364), wk = 0.0019120 k( 325) = ( 0.3783784 0.4993300 0.5152364), wk = 0.0019120 k( 326) = ( 0.3738739 0.5071320 0.5152364), wk = 0.0019120 k( 327) = ( 0.3693694 0.5149340 0.5152364), wk = 0.0019120 k( 328) = ( 0.3648649 0.5227361 0.5152364), wk = 0.0019120 k( 329) = ( 0.3603604 0.5305381 0.5152364), wk = 0.0019120 k( 330) = ( 0.3558559 0.5383401 0.5152364), wk = 0.0019120 k( 331) = ( 0.3513514 0.5461421 0.5152364), wk = 0.0019120 k( 332) = ( 0.3468468 0.5539442 0.5152364), wk = 0.0019120 k( 333) = ( 0.3423423 0.5617462 0.5152364), wk = 0.0019120 k( 334) = ( 0.3378378 0.5695482 0.5152364), wk = 0.0019120 k( 335) = ( 0.3333333 0.5773503 0.5152364), wk = 0.0019120 k( 336) = ( 0.3333333 0.5773503 0.5152364), wk = 0.0019120 k( 337) = ( 0.3287671 0.5694414 0.5152364), wk = 0.0019120 k( 338) = ( 0.3242009 0.5615324 0.5152364), wk = 0.0019120 k( 339) = ( 0.3196347 0.5536235 0.5152364), wk = 0.0019120 k( 340) = ( 0.3150685 0.5457146 0.5152364), wk = 0.0019120 k( 341) = ( 0.3105023 0.5378057 0.5152364), wk = 0.0019120 k( 342) = ( 0.3059361 0.5298968 0.5152364), wk = 0.0019120 k( 343) = ( 0.3013699 0.5219879 0.5152364), wk = 0.0019120 k( 344) = ( 0.2968036 0.5140790 0.5152364), wk = 0.0019120 k( 345) = ( 0.2922374 0.5061701 0.5152364), wk = 0.0019120 k( 346) = ( 0.2876712 0.4982612 0.5152364), wk = 0.0019120 k( 347) = ( 0.2831050 0.4903523 0.5152364), wk = 0.0019120 k( 348) = ( 0.2785388 0.4824434 0.5152364), wk = 0.0019120 k( 349) = ( 0.2739726 0.4745345 0.5152364), wk = 0.0019120 k( 350) = ( 0.2694064 0.4666256 0.5152364), wk = 0.0019120 k( 351) = ( 0.2648402 0.4587166 0.5152364), wk = 0.0019120 k( 352) = ( 0.2602740 0.4508077 0.5152364), wk = 0.0019120 k( 353) = ( 0.2557078 0.4428988 0.5152364), wk = 0.0019120 k( 354) = ( 0.2511415 0.4349899 0.5152364), wk = 0.0019120 k( 355) = ( 0.2465753 0.4270810 0.5152364), wk = 0.0019120 k( 356) = ( 0.2420091 0.4191721 0.5152364), wk = 0.0019120 k( 357) = ( 0.2374429 0.4112632 0.5152364), wk = 0.0019120 k( 358) = ( 0.2328767 0.4033543 0.5152364), wk = 0.0019120 k( 359) = ( 0.2283105 0.3954454 0.5152364), wk = 0.0019120 k( 360) = ( 0.2237443 0.3875365 0.5152364), wk = 0.0019120 k( 361) = ( 0.2191781 0.3796276 0.5152364), wk = 0.0019120 k( 362) = ( 0.2146119 0.3717187 0.5152364), wk = 0.0019120 k( 363) = ( 0.2100457 0.3638098 0.5152364), wk = 0.0019120 k( 364) = ( 0.2054795 0.3559008 0.5152364), wk = 0.0019120 k( 365) = ( 0.2009132 0.3479919 0.5152364), wk = 0.0019120 k( 366) = ( 0.1963470 0.3400830 0.5152364), wk = 0.0019120 k( 367) = ( 0.1917808 0.3321741 0.5152364), wk = 0.0019120 k( 368) = ( 0.1872146 0.3242652 0.5152364), wk = 0.0019120 k( 369) = ( 0.1826484 0.3163563 0.5152364), wk = 0.0019120 k( 370) = ( 0.1780822 0.3084474 0.5152364), wk = 0.0019120 k( 371) = ( 0.1735160 0.3005385 0.5152364), wk = 0.0019120 k( 372) = ( 0.1689498 0.2926296 0.5152364), wk = 0.0019120 k( 373) = ( 0.1643836 0.2847207 0.5152364), wk = 0.0019120 k( 374) = ( 0.1598173 0.2768118 0.5152364), wk = 0.0019120 k( 375) = ( 0.1552511 0.2689029 0.5152364), wk = 0.0019120 k( 376) = ( 0.1506849 0.2609940 0.5152364), wk = 0.0019120 k( 377) = ( 0.1461187 0.2530850 0.5152364), wk = 0.0019120 k( 378) = ( 0.1415525 0.2451761 0.5152364), wk = 0.0019120 k( 379) = ( 0.1369863 0.2372672 0.5152364), wk = 0.0019120 k( 380) = ( 0.1324201 0.2293583 0.5152364), wk = 0.0019120 k( 381) = ( 0.1278539 0.2214494 0.5152364), wk = 0.0019120 k( 382) = ( 0.1232877 0.2135405 0.5152364), wk = 0.0019120 k( 383) = ( 0.1187215 0.2056316 0.5152364), wk = 0.0019120 k( 384) = ( 0.1141552 0.1977227 0.5152364), wk = 0.0019120 k( 385) = ( 0.1095890 0.1898138 0.5152364), wk = 0.0019120 k( 386) = ( 0.1050228 0.1819049 0.5152364), wk = 0.0019120 k( 387) = ( 0.1004566 0.1739960 0.5152364), wk = 0.0019120 k( 388) = ( 0.0958904 0.1660871 0.5152364), wk = 0.0019120 k( 389) = ( 0.0913242 0.1581782 0.5152364), wk = 0.0019120 k( 390) = ( 0.0867580 0.1502692 0.5152364), wk = 0.0019120 k( 391) = ( 0.0821918 0.1423603 0.5152364), wk = 0.0019120 k( 392) = ( 0.0776256 0.1344514 0.5152364), wk = 0.0019120 k( 393) = ( 0.0730594 0.1265425 0.5152364), wk = 0.0019120 k( 394) = ( 0.0684932 0.1186336 0.5152364), wk = 0.0019120 k( 395) = ( 0.0639269 0.1107247 0.5152364), wk = 0.0019120 k( 396) = ( 0.0593607 0.1028158 0.5152364), wk = 0.0019120 k( 397) = ( 0.0547945 0.0949069 0.5152364), wk = 0.0019120 k( 398) = ( 0.0502283 0.0869980 0.5152364), wk = 0.0019120 k( 399) = ( 0.0456621 0.0790891 0.5152364), wk = 0.0019120 k( 400) = ( 0.0410959 0.0711802 0.5152364), wk = 0.0019120 k( 401) = ( 0.0365297 0.0632713 0.5152364), wk = 0.0019120 k( 402) = ( 0.0319635 0.0553624 0.5152364), wk = 0.0019120 k( 403) = ( 0.0273973 0.0474534 0.5152364), wk = 0.0019120 k( 404) = ( 0.0228310 0.0395445 0.5152364), wk = 0.0019120 k( 405) = ( 0.0182648 0.0316356 0.5152364), wk = 0.0019120 k( 406) = ( 0.0136986 0.0237267 0.5152364), wk = 0.0019120 k( 407) = ( 0.0091324 0.0158178 0.5152364), wk = 0.0019120 k( 408) = ( 0.0045662 0.0079089 0.5152364), wk = 0.0019120 k( 409) = ( 0.0000000 0.0000000 0.5152364), wk = 0.0019120 k( 410) = ( 0.5000000 0.2886751 0.5152364), wk = 0.0019120 k( 411) = ( 0.5000000 0.2886751 0.5060358), wk = 0.0019120 k( 412) = ( 0.5000000 0.2886751 0.4968351), wk = 0.0019120 k( 413) = ( 0.5000000 0.2886751 0.4876345), wk = 0.0019120 k( 414) = ( 0.5000000 0.2886751 0.4784338), wk = 0.0019120 k( 415) = ( 0.5000000 0.2886751 0.4692332), wk = 0.0019120 k( 416) = ( 0.5000000 0.2886751 0.4600325), wk = 0.0019120 k( 417) = ( 0.5000000 0.2886751 0.4508319), wk = 0.0019120 k( 418) = ( 0.5000000 0.2886751 0.4416312), wk = 0.0019120 k( 419) = ( 0.5000000 0.2886751 0.4324306), wk = 0.0019120 k( 420) = ( 0.5000000 0.2886751 0.4232299), wk = 0.0019120 k( 421) = ( 0.5000000 0.2886751 0.4140292), wk = 0.0019120 k( 422) = ( 0.5000000 0.2886751 0.4048286), wk = 0.0019120 k( 423) = ( 0.5000000 0.2886751 0.3956280), wk = 0.0019120 k( 424) = ( 0.5000000 0.2886751 0.3864273), wk = 0.0019120 k( 425) = ( 0.5000000 0.2886751 0.3772267), wk = 0.0019120 k( 426) = ( 0.5000000 0.2886751 0.3680260), wk = 0.0019120 k( 427) = ( 0.5000000 0.2886751 0.3588254), wk = 0.0019120 k( 428) = ( 0.5000000 0.2886751 0.3496247), wk = 0.0019120 k( 429) = ( 0.5000000 0.2886751 0.3404240), wk = 0.0019120 k( 430) = ( 0.5000000 0.2886751 0.3312234), wk = 0.0019120 k( 431) = ( 0.5000000 0.2886751 0.3220228), wk = 0.0019120 k( 432) = ( 0.5000000 0.2886751 0.3128221), wk = 0.0019120 k( 433) = ( 0.5000000 0.2886751 0.3036215), wk = 0.0019120 k( 434) = ( 0.5000000 0.2886751 0.2944208), wk = 0.0019120 k( 435) = ( 0.5000000 0.2886751 0.2852201), wk = 0.0019120 k( 436) = ( 0.5000000 0.2886751 0.2760195), wk = 0.0019120 k( 437) = ( 0.5000000 0.2886751 0.2668189), wk = 0.0019120 k( 438) = ( 0.5000000 0.2886751 0.2576182), wk = 0.0019120 k( 439) = ( 0.5000000 0.2886751 0.2484176), wk = 0.0019120 k( 440) = ( 0.5000000 0.2886751 0.2392169), wk = 0.0019120 k( 441) = ( 0.5000000 0.2886751 0.2300163), wk = 0.0019120 k( 442) = ( 0.5000000 0.2886751 0.2208156), wk = 0.0019120 k( 443) = ( 0.5000000 0.2886751 0.2116149), wk = 0.0019120 k( 444) = ( 0.5000000 0.2886751 0.2024143), wk = 0.0019120 k( 445) = ( 0.5000000 0.2886751 0.1932137), wk = 0.0019120 k( 446) = ( 0.5000000 0.2886751 0.1840130), wk = 0.0019120 k( 447) = ( 0.5000000 0.2886751 0.1748124), wk = 0.0019120 k( 448) = ( 0.5000000 0.2886751 0.1656117), wk = 0.0019120 k( 449) = ( 0.5000000 0.2886751 0.1564110), wk = 0.0019120 k( 450) = ( 0.5000000 0.2886751 0.1472104), wk = 0.0019120 k( 451) = ( 0.5000000 0.2886751 0.1380097), wk = 0.0019120 k( 452) = ( 0.5000000 0.2886751 0.1288091), wk = 0.0019120 k( 453) = ( 0.5000000 0.2886751 0.1196085), wk = 0.0019120 k( 454) = ( 0.5000000 0.2886751 0.1104078), wk = 0.0019120 k( 455) = ( 0.5000000 0.2886751 0.1012072), wk = 0.0019120 k( 456) = ( 0.5000000 0.2886751 0.0920065), wk = 0.0019120 k( 457) = ( 0.5000000 0.2886751 0.0828058), wk = 0.0019120 k( 458) = ( 0.5000000 0.2886751 0.0736052), wk = 0.0019120 k( 459) = ( 0.5000000 0.2886751 0.0644046), wk = 0.0019120 k( 460) = ( 0.5000000 0.2886751 0.0552039), wk = 0.0019120 k( 461) = ( 0.5000000 0.2886751 0.0460033), wk = 0.0019120 k( 462) = ( 0.5000000 0.2886751 0.0368026), wk = 0.0019120 k( 463) = ( 0.5000000 0.2886751 0.0276019), wk = 0.0019120 k( 464) = ( 0.5000000 0.2886751 0.0184013), wk = 0.0019120 k( 465) = ( 0.5000000 0.2886751 0.0092006), wk = 0.0019120 k( 466) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019120 k( 467) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019120 k( 468) = ( 0.3333333 0.5773503 0.0092006), wk = 0.0019120 k( 469) = ( 0.3333333 0.5773503 0.0184013), wk = 0.0019120 k( 470) = ( 0.3333333 0.5773503 0.0276019), wk = 0.0019120 k( 471) = ( 0.3333333 0.5773503 0.0368026), wk = 0.0019120 k( 472) = ( 0.3333333 0.5773503 0.0460033), wk = 0.0019120 k( 473) = ( 0.3333333 0.5773503 0.0552039), wk = 0.0019120 k( 474) = ( 0.3333333 0.5773503 0.0644046), wk = 0.0019120 k( 475) = ( 0.3333333 0.5773503 0.0736052), wk = 0.0019120 k( 476) = ( 0.3333333 0.5773503 0.0828058), wk = 0.0019120 k( 477) = ( 0.3333333 0.5773503 0.0920065), wk = 0.0019120 k( 478) = ( 0.3333333 0.5773503 0.1012072), wk = 0.0019120 k( 479) = ( 0.3333333 0.5773503 0.1104078), wk = 0.0019120 k( 480) = ( 0.3333333 0.5773503 0.1196085), wk = 0.0019120 k( 481) = ( 0.3333333 0.5773503 0.1288091), wk = 0.0019120 k( 482) = ( 0.3333333 0.5773503 0.1380097), wk = 0.0019120 k( 483) = ( 0.3333333 0.5773503 0.1472104), wk = 0.0019120 k( 484) = ( 0.3333333 0.5773503 0.1564110), wk = 0.0019120 k( 485) = ( 0.3333333 0.5773503 0.1656117), wk = 0.0019120 k( 486) = ( 0.3333333 0.5773503 0.1748124), wk = 0.0019120 k( 487) = ( 0.3333333 0.5773503 0.1840130), wk = 0.0019120 k( 488) = ( 0.3333333 0.5773503 0.1932137), wk = 0.0019120 k( 489) = ( 0.3333333 0.5773503 0.2024143), wk = 0.0019120 k( 490) = ( 0.3333333 0.5773503 0.2116149), wk = 0.0019120 k( 491) = ( 0.3333333 0.5773503 0.2208156), wk = 0.0019120 k( 492) = ( 0.3333333 0.5773503 0.2300163), wk = 0.0019120 k( 493) = ( 0.3333333 0.5773503 0.2392169), wk = 0.0019120 k( 494) = ( 0.3333333 0.5773503 0.2484176), wk = 0.0019120 k( 495) = ( 0.3333333 0.5773503 0.2576182), wk = 0.0019120 k( 496) = ( 0.3333333 0.5773503 0.2668189), wk = 0.0019120 k( 497) = ( 0.3333333 0.5773503 0.2760195), wk = 0.0019120 k( 498) = ( 0.3333333 0.5773503 0.2852201), wk = 0.0019120 k( 499) = ( 0.3333333 0.5773503 0.2944208), wk = 0.0019120 k( 500) = ( 0.3333333 0.5773503 0.3036215), wk = 0.0019120 k( 501) = ( 0.3333333 0.5773503 0.3128221), wk = 0.0019120 k( 502) = ( 0.3333333 0.5773503 0.3220228), wk = 0.0019120 k( 503) = ( 0.3333333 0.5773503 0.3312234), wk = 0.0019120 k( 504) = ( 0.3333333 0.5773503 0.3404240), wk = 0.0019120 k( 505) = ( 0.3333333 0.5773503 0.3496247), wk = 0.0019120 k( 506) = ( 0.3333333 0.5773503 0.3588254), wk = 0.0019120 k( 507) = ( 0.3333333 0.5773503 0.3680260), wk = 0.0019120 k( 508) = ( 0.3333333 0.5773503 0.3772267), wk = 0.0019120 k( 509) = ( 0.3333333 0.5773503 0.3864273), wk = 0.0019120 k( 510) = ( 0.3333333 0.5773503 0.3956280), wk = 0.0019120 k( 511) = ( 0.3333333 0.5773503 0.4048286), wk = 0.0019120 k( 512) = ( 0.3333333 0.5773503 0.4140292), wk = 0.0019120 k( 513) = ( 0.3333333 0.5773503 0.4232299), wk = 0.0019120 k( 514) = ( 0.3333333 0.5773503 0.4324306), wk = 0.0019120 k( 515) = ( 0.3333333 0.5773503 0.4416312), wk = 0.0019120 k( 516) = ( 0.3333333 0.5773503 0.4508319), wk = 0.0019120 k( 517) = ( 0.3333333 0.5773503 0.4600325), wk = 0.0019120 k( 518) = ( 0.3333333 0.5773503 0.4692332), wk = 0.0019120 k( 519) = ( 0.3333333 0.5773503 0.4784338), wk = 0.0019120 k( 520) = ( 0.3333333 0.5773503 0.4876345), wk = 0.0019120 k( 521) = ( 0.3333333 0.5773503 0.4968351), wk = 0.0019120 k( 522) = ( 0.3333333 0.5773503 0.5060358), wk = 0.0019120 k( 523) = ( 0.3333333 0.5773503 0.5152364), wk = 0.0019120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 2) = ( 0.0079365 0.0000000 0.0000000), wk = 0.0019120 k( 3) = ( 0.0158730 0.0000000 0.0000000), wk = 0.0019120 k( 4) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0019120 k( 5) = ( 0.0317460 0.0000000 0.0000000), wk = 0.0019120 k( 6) = ( 0.0396825 0.0000000 0.0000000), wk = 0.0019120 k( 7) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0019120 k( 8) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0019120 k( 9) = ( 0.0634921 0.0000000 0.0000000), wk = 0.0019120 k( 10) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0019120 k( 11) = ( 0.0793651 0.0000000 0.0000000), wk = 0.0019120 k( 12) = ( 0.0873016 0.0000000 0.0000000), wk = 0.0019120 k( 13) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0019120 k( 14) = ( 0.1031746 0.0000000 0.0000000), wk = 0.0019120 k( 15) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0019120 k( 16) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0019120 k( 17) = ( 0.1269841 0.0000000 0.0000000), wk = 0.0019120 k( 18) = ( 0.1349206 0.0000000 0.0000000), wk = 0.0019120 k( 19) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0019120 k( 20) = ( 0.1507937 0.0000000 0.0000000), wk = 0.0019120 k( 21) = ( 0.1587302 0.0000000 0.0000000), wk = 0.0019120 k( 22) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0019120 k( 23) = ( 0.1746032 0.0000000 0.0000000), wk = 0.0019120 k( 24) = ( 0.1825397 0.0000000 0.0000000), wk = 0.0019120 k( 25) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0019120 k( 26) = ( 0.1984127 0.0000000 0.0000000), wk = 0.0019120 k( 27) = ( 0.2063492 0.0000000 -0.0000000), wk = 0.0019120 k( 28) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0019120 k( 29) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0019120 k( 30) = ( 0.2301587 0.0000000 0.0000000), wk = 0.0019120 k( 31) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0019120 k( 32) = ( 0.2460317 0.0000000 -0.0000000), wk = 0.0019120 k( 33) = ( 0.2539683 0.0000000 0.0000000), wk = 0.0019120 k( 34) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0019120 k( 35) = ( 0.2698413 0.0000000 0.0000000), wk = 0.0019120 k( 36) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0019120 k( 37) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0019120 k( 38) = ( 0.2936508 0.0000000 -0.0000000), wk = 0.0019120 k( 39) = ( 0.3015873 0.0000000 0.0000000), wk = 0.0019120 k( 40) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0019120 k( 41) = ( 0.3174603 0.0000000 0.0000000), wk = 0.0019120 k( 42) = ( 0.3253968 0.0000000 0.0000000), wk = 0.0019120 k( 43) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0019120 k( 44) = ( 0.3412698 0.0000000 0.0000000), wk = 0.0019120 k( 45) = ( 0.3492063 0.0000000 0.0000000), wk = 0.0019120 k( 46) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0019120 k( 47) = ( 0.3650794 0.0000000 0.0000000), wk = 0.0019120 k( 48) = ( 0.3730159 0.0000000 0.0000000), wk = 0.0019120 k( 49) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0019120 k( 50) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0019120 k( 51) = ( 0.3968254 0.0000000 0.0000000), wk = 0.0019120 k( 52) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0019120 k( 53) = ( 0.4126984 0.0000000 0.0000000), wk = 0.0019120 k( 54) = ( 0.4206349 0.0000000 0.0000000), wk = 0.0019120 k( 55) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0019120 k( 56) = ( 0.4365079 0.0000000 0.0000000), wk = 0.0019120 k( 57) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0019120 k( 58) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0019120 k( 59) = ( 0.4603175 0.0000000 0.0000000), wk = 0.0019120 k( 60) = ( 0.4682540 0.0000000 -0.0000000), wk = 0.0019120 k( 61) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0019120 k( 62) = ( 0.4841270 0.0000000 0.0000000), wk = 0.0019120 k( 63) = ( 0.4920635 0.0000000 0.0000000), wk = 0.0019120 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019120 k( 65) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019120 k( 66) = ( 0.4954955 0.0090090 0.0000000), wk = 0.0019120 k( 67) = ( 0.4909910 0.0180180 0.0000000), wk = 0.0019120 k( 68) = ( 0.4864865 0.0270270 0.0000000), wk = 0.0019120 k( 69) = ( 0.4819820 0.0360360 0.0000000), wk = 0.0019120 k( 70) = ( 0.4774775 0.0450451 0.0000000), wk = 0.0019120 k( 71) = ( 0.4729730 0.0540540 0.0000000), wk = 0.0019120 k( 72) = ( 0.4684685 0.0630631 -0.0000000), wk = 0.0019120 k( 73) = ( 0.4639640 0.0720721 0.0000000), wk = 0.0019120 k( 74) = ( 0.4594595 0.0810811 -0.0000000), wk = 0.0019120 k( 75) = ( 0.4549550 0.0900901 0.0000000), wk = 0.0019120 k( 76) = ( 0.4504505 0.0990991 0.0000000), wk = 0.0019120 k( 77) = ( 0.4459459 0.1081081 0.0000000), wk = 0.0019120 k( 78) = ( 0.4414414 0.1171171 -0.0000000), wk = 0.0019120 k( 79) = ( 0.4369369 0.1261261 0.0000000), wk = 0.0019120 k( 80) = ( 0.4324324 0.1351351 0.0000000), wk = 0.0019120 k( 81) = ( 0.4279279 0.1441441 0.0000000), wk = 0.0019120 k( 82) = ( 0.4234234 0.1531531 0.0000000), wk = 0.0019120 k( 83) = ( 0.4189189 0.1621622 0.0000000), wk = 0.0019120 k( 84) = ( 0.4144144 0.1711712 0.0000000), wk = 0.0019120 k( 85) = ( 0.4099099 0.1801802 0.0000000), wk = 0.0019120 k( 86) = ( 0.4054054 0.1891892 0.0000000), wk = 0.0019120 k( 87) = ( 0.4009009 0.1981982 0.0000000), wk = 0.0019120 k( 88) = ( 0.3963964 0.2072072 0.0000000), wk = 0.0019120 k( 89) = ( 0.3918919 0.2162162 0.0000000), wk = 0.0019120 k( 90) = ( 0.3873874 0.2252252 0.0000000), wk = 0.0019120 k( 91) = ( 0.3828829 0.2342342 0.0000000), wk = 0.0019120 k( 92) = ( 0.3783784 0.2432432 0.0000000), wk = 0.0019120 k( 93) = ( 0.3738739 0.2522522 0.0000000), wk = 0.0019120 k( 94) = ( 0.3693694 0.2612613 0.0000000), wk = 0.0019120 k( 95) = ( 0.3648649 0.2702703 0.0000000), wk = 0.0019120 k( 96) = ( 0.3603604 0.2792793 0.0000000), wk = 0.0019120 k( 97) = ( 0.3558559 0.2882883 0.0000000), wk = 0.0019120 k( 98) = ( 0.3513514 0.2972973 0.0000000), wk = 0.0019120 k( 99) = ( 0.3468468 0.3063063 0.0000000), wk = 0.0019120 k( 100) = ( 0.3423423 0.3153153 0.0000000), wk = 0.0019120 k( 101) = ( 0.3378378 0.3243243 0.0000000), wk = 0.0019120 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0019120 k( 103) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0019120 k( 104) = ( 0.3287671 0.3287671 -0.0000000), wk = 0.0019120 k( 105) = ( 0.3242009 0.3242009 0.0000000), wk = 0.0019120 k( 106) = ( 0.3196347 0.3196347 0.0000000), wk = 0.0019120 k( 107) = ( 0.3150685 0.3150685 0.0000000), wk = 0.0019120 k( 108) = ( 0.3105023 0.3105023 0.0000000), wk = 0.0019120 k( 109) = ( 0.3059361 0.3059361 0.0000000), wk = 0.0019120 k( 110) = ( 0.3013699 0.3013699 0.0000000), wk = 0.0019120 k( 111) = ( 0.2968036 0.2968037 0.0000000), wk = 0.0019120 k( 112) = ( 0.2922374 0.2922374 0.0000000), wk = 0.0019120 k( 113) = ( 0.2876712 0.2876712 0.0000000), wk = 0.0019120 k( 114) = ( 0.2831050 0.2831050 0.0000000), wk = 0.0019120 k( 115) = ( 0.2785388 0.2785388 0.0000000), wk = 0.0019120 k( 116) = ( 0.2739726 0.2739726 0.0000000), wk = 0.0019120 k( 117) = ( 0.2694064 0.2694064 -0.0000000), wk = 0.0019120 k( 118) = ( 0.2648402 0.2648402 0.0000000), wk = 0.0019120 k( 119) = ( 0.2602740 0.2602740 0.0000000), wk = 0.0019120 k( 120) = ( 0.2557078 0.2557078 0.0000000), wk = 0.0019120 k( 121) = ( 0.2511415 0.2511416 0.0000000), wk = 0.0019120 k( 122) = ( 0.2465753 0.2465753 0.0000000), wk = 0.0019120 k( 123) = ( 0.2420091 0.2420091 0.0000000), wk = 0.0019120 k( 124) = ( 0.2374429 0.2374429 0.0000000), wk = 0.0019120 k( 125) = ( 0.2328767 0.2328767 0.0000000), wk = 0.0019120 k( 126) = ( 0.2283105 0.2283105 0.0000000), wk = 0.0019120 k( 127) = ( 0.2237443 0.2237443 0.0000000), wk = 0.0019120 k( 128) = ( 0.2191781 0.2191781 -0.0000000), wk = 0.0019120 k( 129) = ( 0.2146119 0.2146119 -0.0000000), wk = 0.0019120 k( 130) = ( 0.2100457 0.2100457 -0.0000000), wk = 0.0019120 k( 131) = ( 0.2054795 0.2054795 0.0000000), wk = 0.0019120 k( 132) = ( 0.2009132 0.2009132 0.0000000), wk = 0.0019120 k( 133) = ( 0.1963470 0.1963470 0.0000000), wk = 0.0019120 k( 134) = ( 0.1917808 0.1917808 0.0000000), wk = 0.0019120 k( 135) = ( 0.1872146 0.1872146 -0.0000000), wk = 0.0019120 k( 136) = ( 0.1826484 0.1826484 -0.0000000), wk = 0.0019120 k( 137) = ( 0.1780822 0.1780822 0.0000000), wk = 0.0019120 k( 138) = ( 0.1735160 0.1735160 0.0000000), wk = 0.0019120 k( 139) = ( 0.1689498 0.1689498 0.0000000), wk = 0.0019120 k( 140) = ( 0.1643836 0.1643836 -0.0000000), wk = 0.0019120 k( 141) = ( 0.1598173 0.1598174 0.0000000), wk = 0.0019120 k( 142) = ( 0.1552511 0.1552511 0.0000000), wk = 0.0019120 k( 143) = ( 0.1506849 0.1506849 0.0000000), wk = 0.0019120 k( 144) = ( 0.1461187 0.1461187 0.0000000), wk = 0.0019120 k( 145) = ( 0.1415525 0.1415525 0.0000000), wk = 0.0019120 k( 146) = ( 0.1369863 0.1369863 0.0000000), wk = 0.0019120 k( 147) = ( 0.1324201 0.1324201 0.0000000), wk = 0.0019120 k( 148) = ( 0.1278539 0.1278539 0.0000000), wk = 0.0019120 k( 149) = ( 0.1232877 0.1232877 0.0000000), wk = 0.0019120 k( 150) = ( 0.1187215 0.1187215 0.0000000), wk = 0.0019120 k( 151) = ( 0.1141552 0.1141553 0.0000000), wk = 0.0019120 k( 152) = ( 0.1095890 0.1095890 -0.0000000), wk = 0.0019120 k( 153) = ( 0.1050228 0.1050228 -0.0000000), wk = 0.0019120 k( 154) = ( 0.1004566 0.1004566 0.0000000), wk = 0.0019120 k( 155) = ( 0.0958904 0.0958904 0.0000000), wk = 0.0019120 k( 156) = ( 0.0913242 0.0913242 -0.0000000), wk = 0.0019120 k( 157) = ( 0.0867580 0.0867580 0.0000000), wk = 0.0019120 k( 158) = ( 0.0821918 0.0821918 -0.0000000), wk = 0.0019120 k( 159) = ( 0.0776256 0.0776256 0.0000000), wk = 0.0019120 k( 160) = ( 0.0730594 0.0730594 0.0000000), wk = 0.0019120 k( 161) = ( 0.0684932 0.0684932 0.0000000), wk = 0.0019120 k( 162) = ( 0.0639269 0.0639269 0.0000000), wk = 0.0019120 k( 163) = ( 0.0593607 0.0593607 0.0000000), wk = 0.0019120 k( 164) = ( 0.0547945 0.0547945 -0.0000000), wk = 0.0019120 k( 165) = ( 0.0502283 0.0502283 0.0000000), wk = 0.0019120 k( 166) = ( 0.0456621 0.0456621 -0.0000000), wk = 0.0019120 k( 167) = ( 0.0410959 0.0410959 -0.0000000), wk = 0.0019120 k( 168) = ( 0.0365297 0.0365297 0.0000000), wk = 0.0019120 k( 169) = ( 0.0319635 0.0319635 0.0000000), wk = 0.0019120 k( 170) = ( 0.0273973 0.0273973 -0.0000000), wk = 0.0019120 k( 171) = ( 0.0228310 0.0228310 -0.0000000), wk = 0.0019120 k( 172) = ( 0.0182648 0.0182648 0.0000000), wk = 0.0019120 k( 173) = ( 0.0136986 0.0136986 -0.0000000), wk = 0.0019120 k( 174) = ( 0.0091324 0.0091324 0.0000000), wk = 0.0019120 k( 175) = ( 0.0045662 0.0045662 0.0000000), wk = 0.0019120 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 178) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0019120 k( 179) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0019120 k( 180) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0019120 k( 181) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0019120 k( 182) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0019120 k( 183) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0019120 k( 184) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0019120 k( 185) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0019120 k( 186) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0019120 k( 187) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0019120 k( 188) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0019120 k( 189) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0019120 k( 190) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0019120 k( 191) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0019120 k( 192) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0019120 k( 193) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0019120 k( 194) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0019120 k( 195) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0019120 k( 196) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0019120 k( 197) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0019120 k( 198) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0019120 k( 199) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0019120 k( 200) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0019120 k( 201) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0019120 k( 202) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0019120 k( 203) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0019120 k( 204) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0019120 k( 205) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019120 k( 206) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0019120 k( 207) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0019120 k( 208) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0019120 k( 209) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0019120 k( 210) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0019120 k( 211) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0019120 k( 212) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0019120 k( 213) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0019120 k( 214) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0019120 k( 215) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0019120 k( 216) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0019120 k( 217) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0019120 k( 218) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0019120 k( 219) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0019120 k( 220) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0019120 k( 221) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0019120 k( 222) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0019120 k( 223) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0019120 k( 224) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0019120 k( 225) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0019120 k( 226) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0019120 k( 227) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0019120 k( 228) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0019120 k( 229) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0019120 k( 230) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0019120 k( 231) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0019120 k( 232) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0019120 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019120 k( 234) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019120 k( 235) = ( 0.0079365 0.0000000 0.5000000), wk = 0.0019120 k( 236) = ( 0.0158730 0.0000000 0.5000000), wk = 0.0019120 k( 237) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0019120 k( 238) = ( 0.0317460 0.0000000 0.5000000), wk = 0.0019120 k( 239) = ( 0.0396825 0.0000000 0.5000000), wk = 0.0019120 k( 240) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0019120 k( 241) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0019120 k( 242) = ( 0.0634921 0.0000000 0.5000000), wk = 0.0019120 k( 243) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0019120 k( 244) = ( 0.0793651 0.0000000 0.5000000), wk = 0.0019120 k( 245) = ( 0.0873016 0.0000000 0.5000000), wk = 0.0019120 k( 246) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0019120 k( 247) = ( 0.1031746 0.0000000 0.5000000), wk = 0.0019120 k( 248) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0019120 k( 249) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0019120 k( 250) = ( 0.1269841 0.0000000 0.5000000), wk = 0.0019120 k( 251) = ( 0.1349206 0.0000000 0.5000000), wk = 0.0019120 k( 252) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0019120 k( 253) = ( 0.1507937 0.0000000 0.5000000), wk = 0.0019120 k( 254) = ( 0.1587302 0.0000000 0.5000000), wk = 0.0019120 k( 255) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0019120 k( 256) = ( 0.1746032 0.0000000 0.5000000), wk = 0.0019120 k( 257) = ( 0.1825397 0.0000000 0.5000000), wk = 0.0019120 k( 258) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0019120 k( 259) = ( 0.1984127 0.0000000 0.5000000), wk = 0.0019120 k( 260) = ( 0.2063492 0.0000000 0.5000000), wk = 0.0019120 k( 261) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0019120 k( 262) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0019120 k( 263) = ( 0.2301587 0.0000000 0.5000000), wk = 0.0019120 k( 264) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0019120 k( 265) = ( 0.2460317 0.0000000 0.5000000), wk = 0.0019120 k( 266) = ( 0.2539683 0.0000000 0.5000000), wk = 0.0019120 k( 267) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0019120 k( 268) = ( 0.2698413 0.0000000 0.5000000), wk = 0.0019120 k( 269) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0019120 k( 270) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0019120 k( 271) = ( 0.2936508 0.0000000 0.5000000), wk = 0.0019120 k( 272) = ( 0.3015873 0.0000000 0.5000000), wk = 0.0019120 k( 273) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0019120 k( 274) = ( 0.3174603 0.0000000 0.5000000), wk = 0.0019120 k( 275) = ( 0.3253968 0.0000000 0.5000000), wk = 0.0019120 k( 276) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0019120 k( 277) = ( 0.3412698 0.0000000 0.5000000), wk = 0.0019120 k( 278) = ( 0.3492063 0.0000000 0.5000000), wk = 0.0019120 k( 279) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0019120 k( 280) = ( 0.3650794 0.0000000 0.5000000), wk = 0.0019120 k( 281) = ( 0.3730159 0.0000000 0.5000000), wk = 0.0019120 k( 282) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0019120 k( 283) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0019120 k( 284) = ( 0.3968254 0.0000000 0.5000000), wk = 0.0019120 k( 285) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0019120 k( 286) = ( 0.4126984 0.0000000 0.5000000), wk = 0.0019120 k( 287) = ( 0.4206349 0.0000000 0.5000000), wk = 0.0019120 k( 288) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0019120 k( 289) = ( 0.4365079 0.0000000 0.5000000), wk = 0.0019120 k( 290) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0019120 k( 291) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0019120 k( 292) = ( 0.4603175 0.0000000 0.5000000), wk = 0.0019120 k( 293) = ( 0.4682540 0.0000000 0.5000000), wk = 0.0019120 k( 294) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0019120 k( 295) = ( 0.4841270 0.0000000 0.5000000), wk = 0.0019120 k( 296) = ( 0.4920635 0.0000000 0.5000000), wk = 0.0019120 k( 297) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019120 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019120 k( 299) = ( 0.4954955 0.0090090 0.5000000), wk = 0.0019120 k( 300) = ( 0.4909910 0.0180180 0.5000000), wk = 0.0019120 k( 301) = ( 0.4864865 0.0270270 0.5000000), wk = 0.0019120 k( 302) = ( 0.4819820 0.0360360 0.5000000), wk = 0.0019120 k( 303) = ( 0.4774775 0.0450451 0.5000000), wk = 0.0019120 k( 304) = ( 0.4729730 0.0540540 0.5000000), wk = 0.0019120 k( 305) = ( 0.4684685 0.0630631 0.5000000), wk = 0.0019120 k( 306) = ( 0.4639640 0.0720721 0.5000000), wk = 0.0019120 k( 307) = ( 0.4594595 0.0810811 0.5000000), wk = 0.0019120 k( 308) = ( 0.4549550 0.0900901 0.5000000), wk = 0.0019120 k( 309) = ( 0.4504505 0.0990991 0.5000000), wk = 0.0019120 k( 310) = ( 0.4459459 0.1081081 0.5000000), wk = 0.0019120 k( 311) = ( 0.4414414 0.1171171 0.5000000), wk = 0.0019120 k( 312) = ( 0.4369369 0.1261261 0.5000000), wk = 0.0019120 k( 313) = ( 0.4324324 0.1351351 0.5000000), wk = 0.0019120 k( 314) = ( 0.4279279 0.1441441 0.5000000), wk = 0.0019120 k( 315) = ( 0.4234234 0.1531531 0.5000000), wk = 0.0019120 k( 316) = ( 0.4189189 0.1621622 0.5000000), wk = 0.0019120 k( 317) = ( 0.4144144 0.1711712 0.5000000), wk = 0.0019120 k( 318) = ( 0.4099099 0.1801802 0.5000000), wk = 0.0019120 k( 319) = ( 0.4054054 0.1891892 0.5000000), wk = 0.0019120 k( 320) = ( 0.4009009 0.1981982 0.5000000), wk = 0.0019120 k( 321) = ( 0.3963964 0.2072072 0.5000000), wk = 0.0019120 k( 322) = ( 0.3918919 0.2162162 0.5000000), wk = 0.0019120 k( 323) = ( 0.3873874 0.2252252 0.5000000), wk = 0.0019120 k( 324) = ( 0.3828829 0.2342342 0.5000000), wk = 0.0019120 k( 325) = ( 0.3783784 0.2432432 0.5000000), wk = 0.0019120 k( 326) = ( 0.3738739 0.2522522 0.5000000), wk = 0.0019120 k( 327) = ( 0.3693694 0.2612613 0.5000000), wk = 0.0019120 k( 328) = ( 0.3648649 0.2702703 0.5000000), wk = 0.0019120 k( 329) = ( 0.3603604 0.2792793 0.5000000), wk = 0.0019120 k( 330) = ( 0.3558559 0.2882883 0.5000000), wk = 0.0019120 k( 331) = ( 0.3513514 0.2972973 0.5000000), wk = 0.0019120 k( 332) = ( 0.3468468 0.3063063 0.5000000), wk = 0.0019120 k( 333) = ( 0.3423423 0.3153153 0.5000000), wk = 0.0019120 k( 334) = ( 0.3378378 0.3243243 0.5000000), wk = 0.0019120 k( 335) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019120 k( 336) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019120 k( 337) = ( 0.3287671 0.3287671 0.5000000), wk = 0.0019120 k( 338) = ( 0.3242009 0.3242009 0.5000000), wk = 0.0019120 k( 339) = ( 0.3196347 0.3196347 0.5000000), wk = 0.0019120 k( 340) = ( 0.3150685 0.3150685 0.5000000), wk = 0.0019120 k( 341) = ( 0.3105023 0.3105023 0.5000000), wk = 0.0019120 k( 342) = ( 0.3059361 0.3059361 0.5000000), wk = 0.0019120 k( 343) = ( 0.3013699 0.3013699 0.5000000), wk = 0.0019120 k( 344) = ( 0.2968036 0.2968037 0.5000000), wk = 0.0019120 k( 345) = ( 0.2922374 0.2922374 0.5000000), wk = 0.0019120 k( 346) = ( 0.2876712 0.2876712 0.5000000), wk = 0.0019120 k( 347) = ( 0.2831050 0.2831050 0.5000000), wk = 0.0019120 k( 348) = ( 0.2785388 0.2785388 0.5000000), wk = 0.0019120 k( 349) = ( 0.2739726 0.2739726 0.5000000), wk = 0.0019120 k( 350) = ( 0.2694064 0.2694064 0.5000000), wk = 0.0019120 k( 351) = ( 0.2648402 0.2648402 0.5000000), wk = 0.0019120 k( 352) = ( 0.2602740 0.2602740 0.5000000), wk = 0.0019120 k( 353) = ( 0.2557078 0.2557078 0.5000000), wk = 0.0019120 k( 354) = ( 0.2511415 0.2511416 0.5000000), wk = 0.0019120 k( 355) = ( 0.2465753 0.2465753 0.5000000), wk = 0.0019120 k( 356) = ( 0.2420091 0.2420091 0.5000000), wk = 0.0019120 k( 357) = ( 0.2374429 0.2374429 0.5000000), wk = 0.0019120 k( 358) = ( 0.2328767 0.2328767 0.5000000), wk = 0.0019120 k( 359) = ( 0.2283105 0.2283105 0.5000000), wk = 0.0019120 k( 360) = ( 0.2237443 0.2237443 0.5000000), wk = 0.0019120 k( 361) = ( 0.2191781 0.2191781 0.5000000), wk = 0.0019120 k( 362) = ( 0.2146119 0.2146119 0.5000000), wk = 0.0019120 k( 363) = ( 0.2100457 0.2100457 0.5000000), wk = 0.0019120 k( 364) = ( 0.2054795 0.2054795 0.5000000), wk = 0.0019120 k( 365) = ( 0.2009132 0.2009132 0.5000000), wk = 0.0019120 k( 366) = ( 0.1963470 0.1963470 0.5000000), wk = 0.0019120 k( 367) = ( 0.1917808 0.1917808 0.5000000), wk = 0.0019120 k( 368) = ( 0.1872146 0.1872146 0.5000000), wk = 0.0019120 k( 369) = ( 0.1826484 0.1826484 0.5000000), wk = 0.0019120 k( 370) = ( 0.1780822 0.1780822 0.5000000), wk = 0.0019120 k( 371) = ( 0.1735160 0.1735160 0.5000000), wk = 0.0019120 k( 372) = ( 0.1689498 0.1689498 0.5000000), wk = 0.0019120 k( 373) = ( 0.1643836 0.1643836 0.5000000), wk = 0.0019120 k( 374) = ( 0.1598173 0.1598174 0.5000000), wk = 0.0019120 k( 375) = ( 0.1552511 0.1552511 0.5000000), wk = 0.0019120 k( 376) = ( 0.1506849 0.1506849 0.5000000), wk = 0.0019120 k( 377) = ( 0.1461187 0.1461187 0.5000000), wk = 0.0019120 k( 378) = ( 0.1415525 0.1415525 0.5000000), wk = 0.0019120 k( 379) = ( 0.1369863 0.1369863 0.5000000), wk = 0.0019120 k( 380) = ( 0.1324201 0.1324201 0.5000000), wk = 0.0019120 k( 381) = ( 0.1278539 0.1278539 0.5000000), wk = 0.0019120 k( 382) = ( 0.1232877 0.1232877 0.5000000), wk = 0.0019120 k( 383) = ( 0.1187215 0.1187215 0.5000000), wk = 0.0019120 k( 384) = ( 0.1141552 0.1141553 0.5000000), wk = 0.0019120 k( 385) = ( 0.1095890 0.1095890 0.5000000), wk = 0.0019120 k( 386) = ( 0.1050228 0.1050228 0.5000000), wk = 0.0019120 k( 387) = ( 0.1004566 0.1004566 0.5000000), wk = 0.0019120 k( 388) = ( 0.0958904 0.0958904 0.5000000), wk = 0.0019120 k( 389) = ( 0.0913242 0.0913242 0.5000000), wk = 0.0019120 k( 390) = ( 0.0867580 0.0867580 0.5000000), wk = 0.0019120 k( 391) = ( 0.0821918 0.0821918 0.5000000), wk = 0.0019120 k( 392) = ( 0.0776256 0.0776256 0.5000000), wk = 0.0019120 k( 393) = ( 0.0730594 0.0730594 0.5000000), wk = 0.0019120 k( 394) = ( 0.0684932 0.0684932 0.5000000), wk = 0.0019120 k( 395) = ( 0.0639269 0.0639269 0.5000000), wk = 0.0019120 k( 396) = ( 0.0593607 0.0593607 0.5000000), wk = 0.0019120 k( 397) = ( 0.0547945 0.0547945 0.5000000), wk = 0.0019120 k( 398) = ( 0.0502283 0.0502283 0.5000000), wk = 0.0019120 k( 399) = ( 0.0456621 0.0456621 0.5000000), wk = 0.0019120 k( 400) = ( 0.0410959 0.0410959 0.5000000), wk = 0.0019120 k( 401) = ( 0.0365297 0.0365297 0.5000000), wk = 0.0019120 k( 402) = ( 0.0319635 0.0319635 0.5000000), wk = 0.0019120 k( 403) = ( 0.0273973 0.0273973 0.5000000), wk = 0.0019120 k( 404) = ( 0.0228310 0.0228310 0.5000000), wk = 0.0019120 k( 405) = ( 0.0182648 0.0182648 0.5000000), wk = 0.0019120 k( 406) = ( 0.0136986 0.0136986 0.5000000), wk = 0.0019120 k( 407) = ( 0.0091324 0.0091324 0.5000000), wk = 0.0019120 k( 408) = ( 0.0045662 0.0045662 0.5000000), wk = 0.0019120 k( 409) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019120 k( 410) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019120 k( 411) = ( 0.5000000 0.0000000 0.4910714), wk = 0.0019120 k( 412) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0019120 k( 413) = ( 0.5000000 0.0000000 0.4732143), wk = 0.0019120 k( 414) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0019120 k( 415) = ( 0.5000000 0.0000000 0.4553571), wk = 0.0019120 k( 416) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0019120 k( 417) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0019120 k( 418) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0019120 k( 419) = ( 0.5000000 0.0000000 0.4196429), wk = 0.0019120 k( 420) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0019120 k( 421) = ( 0.5000000 0.0000000 0.4017857), wk = 0.0019120 k( 422) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0019120 k( 423) = ( 0.5000000 0.0000000 0.3839286), wk = 0.0019120 k( 424) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0019120 k( 425) = ( 0.5000000 0.0000000 0.3660714), wk = 0.0019120 k( 426) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0019120 k( 427) = ( 0.5000000 0.0000000 0.3482143), wk = 0.0019120 k( 428) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0019120 k( 429) = ( 0.5000000 0.0000000 0.3303571), wk = 0.0019120 k( 430) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0019120 k( 431) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0019120 k( 432) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0019120 k( 433) = ( 0.5000000 0.0000000 0.2946429), wk = 0.0019120 k( 434) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0019120 k( 435) = ( 0.5000000 0.0000000 0.2767857), wk = 0.0019120 k( 436) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0019120 k( 437) = ( 0.5000000 0.0000000 0.2589286), wk = 0.0019120 k( 438) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0019120 k( 439) = ( 0.5000000 0.0000000 0.2410714), wk = 0.0019120 k( 440) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0019120 k( 441) = ( 0.5000000 0.0000000 0.2232143), wk = 0.0019120 k( 442) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0019120 k( 443) = ( 0.5000000 0.0000000 0.2053571), wk = 0.0019120 k( 444) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0019120 k( 445) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0019120 k( 446) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0019120 k( 447) = ( 0.5000000 0.0000000 0.1696429), wk = 0.0019120 k( 448) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0019120 k( 449) = ( 0.5000000 0.0000000 0.1517857), wk = 0.0019120 k( 450) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0019120 k( 451) = ( 0.5000000 0.0000000 0.1339286), wk = 0.0019120 k( 452) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0019120 k( 453) = ( 0.5000000 0.0000000 0.1160714), wk = 0.0019120 k( 454) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0019120 k( 455) = ( 0.5000000 0.0000000 0.0982143), wk = 0.0019120 k( 456) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0019120 k( 457) = ( 0.5000000 0.0000000 0.0803571), wk = 0.0019120 k( 458) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0019120 k( 459) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0019120 k( 460) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0019120 k( 461) = ( 0.5000000 0.0000000 0.0446429), wk = 0.0019120 k( 462) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0019120 k( 463) = ( 0.5000000 0.0000000 0.0267857), wk = 0.0019120 k( 464) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0019120 k( 465) = ( 0.5000000 0.0000000 0.0089286), wk = 0.0019120 k( 466) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019120 k( 467) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0019120 k( 468) = ( 0.3333333 0.3333333 0.0089286), wk = 0.0019120 k( 469) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0019120 k( 470) = ( 0.3333333 0.3333333 0.0267857), wk = 0.0019120 k( 471) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0019120 k( 472) = ( 0.3333333 0.3333333 0.0446429), wk = 0.0019120 k( 473) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0019120 k( 474) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0019120 k( 475) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0019120 k( 476) = ( 0.3333333 0.3333333 0.0803571), wk = 0.0019120 k( 477) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0019120 k( 478) = ( 0.3333333 0.3333333 0.0982143), wk = 0.0019120 k( 479) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0019120 k( 480) = ( 0.3333333 0.3333333 0.1160714), wk = 0.0019120 k( 481) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0019120 k( 482) = ( 0.3333333 0.3333333 0.1339286), wk = 0.0019120 k( 483) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0019120 k( 484) = ( 0.3333333 0.3333333 0.1517857), wk = 0.0019120 k( 485) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0019120 k( 486) = ( 0.3333333 0.3333333 0.1696429), wk = 0.0019120 k( 487) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0019120 k( 488) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0019120 k( 489) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0019120 k( 490) = ( 0.3333333 0.3333333 0.2053571), wk = 0.0019120 k( 491) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0019120 k( 492) = ( 0.3333333 0.3333333 0.2232143), wk = 0.0019120 k( 493) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0019120 k( 494) = ( 0.3333333 0.3333333 0.2410714), wk = 0.0019120 k( 495) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0019120 k( 496) = ( 0.3333333 0.3333333 0.2589286), wk = 0.0019120 k( 497) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0019120 k( 498) = ( 0.3333333 0.3333333 0.2767857), wk = 0.0019120 k( 499) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0019120 k( 500) = ( 0.3333333 0.3333333 0.2946429), wk = 0.0019120 k( 501) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0019120 k( 502) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0019120 k( 503) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0019120 k( 504) = ( 0.3333333 0.3333333 0.3303571), wk = 0.0019120 k( 505) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0019120 k( 506) = ( 0.3333333 0.3333333 0.3482143), wk = 0.0019120 k( 507) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0019120 k( 508) = ( 0.3333333 0.3333333 0.3660714), wk = 0.0019120 k( 509) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0019120 k( 510) = ( 0.3333333 0.3333333 0.3839286), wk = 0.0019120 k( 511) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0019120 k( 512) = ( 0.3333333 0.3333333 0.4017857), wk = 0.0019120 k( 513) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0019120 k( 514) = ( 0.3333333 0.3333333 0.4196429), wk = 0.0019120 k( 515) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0019120 k( 516) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0019120 k( 517) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0019120 k( 518) = ( 0.3333333 0.3333333 0.4553571), wk = 0.0019120 k( 519) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0019120 k( 520) = ( 0.3333333 0.3333333 0.4732143), wk = 0.0019120 k( 521) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0019120 k( 522) = ( 0.3333333 0.3333333 0.4910714), wk = 0.0019120 k( 523) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019120 Dense grid: 16629 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 7243 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 48, 28) NL pseudopotentials 0.02 Mb ( 24, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 346) G-vector shells 0.00 Mb ( 181) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 48, 112) Each subspace H/S matrix 0.19 Mb ( 112, 112) Each matrix 0.04 Mb ( 48, 2, 28) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./RuC.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 40.6 secs Computing kpt #: 2 total cpu time spent up to now is 40.8 secs Computing kpt #: 3 total cpu time spent up to now is 41.0 secs Computing kpt #: 4 total cpu time spent up to now is 41.2 secs Computing kpt #: 5 total cpu time spent up to now is 41.4 secs Computing kpt #: 6 total cpu time spent up to now is 41.6 secs Computing kpt #: 7 total cpu time spent up to now is 41.8 secs Computing kpt #: 8 total cpu time spent up to now is 42.0 secs Computing kpt #: 9 total cpu time spent up to now is 42.2 secs Computing kpt #: 10 total cpu time spent up to now is 42.4 secs Computing kpt #: 11 total cpu time spent up to now is 42.6 secs Computing kpt #: 12 total cpu time spent up to now is 42.7 secs Computing kpt #: 13 total cpu time spent up to now is 42.9 secs Computing kpt #: 14 total cpu time spent up to now is 43.1 secs Computing kpt #: 15 total cpu time spent up to now is 43.3 secs Computing kpt #: 16 total cpu time spent up to now is 43.5 secs Computing kpt #: 17 total cpu time spent up to now is 43.7 secs Computing kpt #: 18 total cpu time spent up to now is 43.9 secs Computing kpt #: 19 total cpu time spent up to now is 44.1 secs Computing kpt #: 20 total cpu time spent up to now is 44.2 secs Computing kpt #: 21 total cpu time spent up to now is 44.4 secs Computing kpt #: 22 total cpu time spent up to now is 44.6 secs Computing kpt #: 23 total cpu time spent up to now is 44.8 secs Computing kpt #: 24 total cpu time spent up to now is 45.0 secs Computing kpt #: 25 total cpu time spent up to now is 45.2 secs Computing kpt #: 26 total cpu time spent up to now is 45.4 secs Computing kpt #: 27 total cpu time spent up to now is 45.6 secs Computing kpt #: 28 total cpu time spent up to now is 45.8 secs Computing kpt #: 29 total cpu time spent up to now is 46.0 secs Computing kpt #: 30 total cpu time spent up to now is 46.2 secs Computing kpt #: 31 total cpu time spent up to now is 46.4 secs Computing kpt #: 32 total cpu time spent up to now is 46.6 secs Computing kpt #: 33 total cpu time spent up to now is 46.8 secs Computing kpt #: 34 total cpu time spent up to now is 47.1 secs Computing kpt #: 35 total cpu time spent up to now is 47.4 secs Computing kpt #: 36 total cpu time spent up to now is 47.6 secs Computing kpt #: 37 total cpu time spent up to now is 47.9 secs Computing kpt #: 38 total cpu time spent up to now is 48.3 secs Computing kpt #: 39 total cpu time spent up to now is 48.6 secs Computing kpt #: 40 total cpu time spent up to now is 48.9 secs Computing kpt #: 41 total cpu time spent up to now is 49.1 secs Computing kpt #: 42 total cpu time spent up to now is 49.4 secs Computing kpt #: 43 total cpu time spent up to now is 49.9 secs Computing kpt #: 44 total cpu time spent up to now is 50.1 secs Computing kpt #: 45 total cpu time spent up to now is 50.5 secs Computing kpt #: 46 total cpu time spent up to now is 50.7 secs Computing kpt #: 47 total cpu time spent up to now is 50.9 secs Computing kpt #: 48 total cpu time spent up to now is 51.2 secs Computing kpt #: 49 total cpu time spent up to now is 51.4 secs Computing kpt #: 50 total cpu time spent up to now is 51.6 secs Computing kpt #: 51 total cpu time spent up to now is 51.9 secs Computing kpt #: 52 total cpu time spent up to now is 52.2 secs Computing kpt #: 53 total cpu time spent up to now is 52.4 secs Computing kpt #: 54 total cpu time spent up to now is 52.7 secs Computing kpt #: 55 total cpu time spent up to now is 52.9 secs Computing kpt #: 56 total cpu time spent up to now is 53.2 secs Computing kpt #: 57 total cpu time spent up to now is 53.4 secs Computing kpt #: 58 total cpu time spent up to now is 53.6 secs Computing kpt #: 59 total cpu time spent up to now is 53.8 secs Computing kpt #: 60 total cpu time spent up to now is 54.1 secs Computing kpt #: 61 total cpu time spent up to now is 54.3 secs Computing kpt #: 62 total cpu time spent up to now is 54.6 secs Computing kpt #: 63 total cpu time spent up to now is 54.9 secs Computing kpt #: 64 total cpu time spent up to now is 55.1 secs Computing kpt #: 65 total cpu time spent up to now is 55.4 secs Computing kpt #: 66 total cpu time spent up to now is 55.6 secs Computing kpt #: 67 total cpu time spent up to now is 55.8 secs Computing kpt #: 68 total cpu time spent up to now is 56.0 secs Computing kpt #: 69 total cpu time spent up to now is 56.3 secs Computing kpt #: 70 total cpu time spent up to now is 56.5 secs Computing kpt #: 71 total cpu time spent up to now is 56.9 secs Computing kpt #: 72 total cpu time spent up to now is 57.6 secs Computing kpt #: 73 total cpu time spent up to now is 57.8 secs Computing kpt #: 74 total cpu time spent up to now is 58.0 secs Computing kpt #: 75 total cpu time spent up to now is 58.3 secs Computing kpt #: 76 total cpu time spent up to now is 58.7 secs Computing kpt #: 77 total cpu time spent up to now is 59.0 secs Computing kpt #: 78 total cpu time spent up to now is 59.2 secs Computing kpt #: 79 total cpu time spent up to now is 59.5 secs Computing kpt #: 80 total cpu time spent up to now is 59.8 secs Computing kpt #: 81 total cpu time spent up to now is 60.1 secs Computing kpt #: 82 total cpu time spent up to now is 60.4 secs Computing kpt #: 83 total cpu time spent up to now is 60.7 secs Computing kpt #: 84 total cpu time spent up to now is 61.1 secs Computing kpt #: 85 total cpu time spent up to now is 61.3 secs Computing kpt #: 86 total cpu time spent up to now is 61.6 secs Computing kpt #: 87 total cpu time spent up to now is 61.9 secs Computing kpt #: 88 total cpu time spent up to now is 62.1 secs Computing kpt #: 89 total cpu time spent up to now is 62.3 secs Computing kpt #: 90 total cpu time spent up to now is 62.6 secs Computing kpt #: 91 total cpu time spent up to now is 62.8 secs Computing kpt #: 92 total cpu time spent up to now is 63.0 secs Computing kpt #: 93 total cpu time spent up to now is 63.3 secs Computing kpt #: 94 total cpu time spent up to now is 63.5 secs Computing kpt #: 95 total cpu time spent up to now is 63.8 secs Computing kpt #: 96 total cpu time spent up to now is 64.0 secs Computing kpt #: 97 total cpu time spent up to now is 64.3 secs Computing kpt #: 98 total cpu time spent up to now is 64.5 secs Computing kpt #: 99 total cpu time spent up to now is 64.8 secs Computing kpt #: 100 total cpu time spent up to now is 65.0 secs Computing kpt #: 101 total cpu time spent up to now is 65.3 secs Computing kpt #: 102 total cpu time spent up to now is 65.6 secs Computing kpt #: 103 total cpu time spent up to now is 65.9 secs Computing kpt #: 104 total cpu time spent up to now is 66.2 secs Computing kpt #: 105 total cpu time spent up to now is 66.4 secs Computing kpt #: 106 total cpu time spent up to now is 66.7 secs Computing kpt #: 107 total cpu time spent up to now is 67.0 secs Computing kpt #: 108 total cpu time spent up to now is 67.3 secs Computing kpt #: 109 total cpu time spent up to now is 67.6 secs Computing kpt #: 110 total cpu time spent up to now is 67.8 secs Computing kpt #: 111 total cpu time spent up to now is 68.1 secs Computing kpt #: 112 total cpu time spent up to now is 68.3 secs Computing kpt #: 113 total cpu time spent up to now is 68.6 secs Computing kpt #: 114 total cpu time spent up to now is 68.8 secs Computing kpt #: 115 total cpu time spent up to now is 69.0 secs Computing kpt #: 116 total cpu time spent up to now is 69.2 secs Computing kpt #: 117 total cpu time spent up to now is 69.5 secs Computing kpt #: 118 total cpu time spent up to now is 69.7 secs Computing kpt #: 119 total cpu time spent up to now is 69.9 secs Computing kpt #: 120 total cpu time spent up to now is 70.1 secs Computing kpt #: 121 total cpu time spent up to now is 70.3 secs Computing kpt #: 122 total cpu time spent up to now is 70.5 secs Computing kpt #: 123 total cpu time spent up to now is 70.7 secs Computing kpt #: 124 total cpu time spent up to now is 71.0 secs Computing kpt #: 125 total cpu time spent up to now is 71.2 secs Computing kpt #: 126 total cpu time spent up to now is 71.4 secs Computing kpt #: 127 total cpu time spent up to now is 71.8 secs Computing kpt #: 128 total cpu time spent up to now is 72.1 secs Computing kpt #: 129 total cpu time spent up to now is 72.4 secs Computing kpt #: 130 total cpu time spent up to now is 72.7 secs Computing kpt #: 131 total cpu time spent up to now is 73.0 secs Computing kpt #: 132 total cpu time spent up to now is 73.4 secs Computing kpt #: 133 total cpu time spent up to now is 73.8 secs Computing kpt #: 134 total cpu time spent up to now is 74.7 secs Computing kpt #: 135 total cpu time spent up to now is 75.1 secs Computing kpt #: 136 total cpu time spent up to now is 75.3 secs Computing kpt #: 137 total cpu time spent up to now is 75.5 secs Computing kpt #: 138 total cpu time spent up to now is 75.7 secs Computing kpt #: 139 total cpu time spent up to now is 76.0 secs Computing kpt #: 140 total cpu time spent up to now is 76.2 secs Computing kpt #: 141 total cpu time spent up to now is 76.5 secs Computing kpt #: 142 total cpu time spent up to now is 76.7 secs Computing kpt #: 143 total cpu time spent up to now is 76.9 secs Computing kpt #: 144 total cpu time spent up to now is 77.4 secs Computing kpt #: 145 total cpu time spent up to now is 77.6 secs Computing kpt #: 146 total cpu time spent up to now is 77.8 secs Computing kpt #: 147 total cpu time spent up to now is 78.1 secs Computing kpt #: 148 total cpu time spent up to now is 78.3 secs Computing kpt #: 149 total cpu time spent up to now is 78.5 secs Computing kpt #: 150 total cpu time spent up to now is 78.7 secs Computing kpt #: 151 total cpu time spent up to now is 78.9 secs Computing kpt #: 152 total cpu time spent up to now is 79.0 secs Computing kpt #: 153 total cpu time spent up to now is 79.2 secs Computing kpt #: 154 total cpu time spent up to now is 79.4 secs Computing kpt #: 155 total cpu time spent up to now is 79.6 secs Computing kpt #: 156 total cpu time spent up to now is 79.8 secs Computing kpt #: 157 total cpu time spent up to now is 80.0 secs Computing kpt #: 158 total cpu time spent up to now is 80.2 secs Computing kpt #: 159 total cpu time spent up to now is 80.4 secs Computing kpt #: 160 total cpu time spent up to now is 80.6 secs Computing kpt #: 161 total cpu time spent up to now is 80.8 secs Computing kpt #: 162 total cpu time spent up to now is 81.0 secs Computing kpt #: 163 total cpu time spent up to now is 81.1 secs Computing kpt #: 164 total cpu time spent up to now is 81.4 secs Computing kpt #: 165 total cpu time spent up to now is 81.7 secs Computing kpt #: 166 total cpu time spent up to now is 82.0 secs Computing kpt #: 167 total cpu time spent up to now is 82.3 secs Computing kpt #: 168 total cpu time spent up to now is 82.6 secs Computing kpt #: 169 total cpu time spent up to now is 83.0 secs Computing kpt #: 170 total cpu time spent up to now is 83.3 secs Computing kpt #: 171 total cpu time spent up to now is 83.5 secs Computing kpt #: 172 total cpu time spent up to now is 83.8 secs Computing kpt #: 173 total cpu time spent up to now is 84.1 secs Computing kpt #: 174 total cpu time spent up to now is 84.4 secs Computing kpt #: 175 total cpu time spent up to now is 84.7 secs Computing kpt #: 176 total cpu time spent up to now is 85.0 secs Computing kpt #: 177 total cpu time spent up to now is 85.2 secs Computing kpt #: 178 total cpu time spent up to now is 85.4 secs Computing kpt #: 179 total cpu time spent up to now is 85.7 secs Computing kpt #: 180 total cpu time spent up to now is 85.9 secs Computing kpt #: 181 total cpu time spent up to now is 86.2 secs Computing kpt #: 182 total cpu time spent up to now is 86.4 secs Computing kpt #: 183 total cpu time spent up to now is 86.6 secs Computing kpt #: 184 total cpu time spent up to now is 86.7 secs Computing kpt #: 185 total cpu time spent up to now is 86.9 secs Computing kpt #: 186 total cpu time spent up to now is 87.1 secs Computing kpt #: 187 total cpu time spent up to now is 87.3 secs Computing kpt #: 188 total cpu time spent up to now is 87.6 secs Computing kpt #: 189 total cpu time spent up to now is 87.8 secs Computing kpt #: 190 total cpu time spent up to now is 88.0 secs Computing kpt #: 191 total cpu time spent up to now is 88.2 secs Computing kpt #: 192 total cpu time spent up to now is 88.3 secs Computing kpt #: 193 total cpu time spent up to now is 88.5 secs Computing kpt #: 194 total cpu time spent up to now is 88.7 secs Computing kpt #: 195 total cpu time spent up to now is 88.9 secs Computing kpt #: 196 total cpu time spent up to now is 89.3 secs Computing kpt #: 197 total cpu time spent up to now is 89.6 secs Computing kpt #: 198 total cpu time spent up to now is 89.8 secs Computing kpt #: 199 total cpu time spent up to now is 90.2 secs Computing kpt #: 200 total cpu time spent up to now is 90.4 secs Computing kpt #: 201 total cpu time spent up to now is 90.6 secs Computing kpt #: 202 total cpu time spent up to now is 90.9 secs Computing kpt #: 203 total cpu time spent up to now is 91.2 secs Computing kpt #: 204 total cpu time spent up to now is 92.3 secs Computing kpt #: 205 total cpu time spent up to now is 92.9 secs Computing kpt #: 206 total cpu time spent up to now is 93.2 secs Computing kpt #: 207 total cpu time spent up to now is 93.6 secs Computing kpt #: 208 total cpu time spent up to now is 93.8 secs Computing kpt #: 209 total cpu time spent up to now is 94.0 secs Computing kpt #: 210 total cpu time spent up to now is 94.2 secs Computing kpt #: 211 total cpu time spent up to now is 94.4 secs Computing kpt #: 212 total cpu time spent up to now is 94.6 secs Computing kpt #: 213 total cpu time spent up to now is 95.1 secs Computing kpt #: 214 total cpu time spent up to now is 95.3 secs Computing kpt #: 215 total cpu time spent up to now is 95.5 secs Computing kpt #: 216 total cpu time spent up to now is 95.7 secs Computing kpt #: 217 total cpu time spent up to now is 95.9 secs Computing kpt #: 218 total cpu time spent up to now is 96.1 secs Computing kpt #: 219 total cpu time spent up to now is 96.2 secs Computing kpt #: 220 total cpu time spent up to now is 96.5 secs Computing kpt #: 221 total cpu time spent up to now is 96.7 secs Computing kpt #: 222 total cpu time spent up to now is 97.0 secs Computing kpt #: 223 total cpu time spent up to now is 97.4 secs Computing kpt #: 224 total cpu time spent up to now is 97.7 secs Computing kpt #: 225 total cpu time spent up to now is 98.0 secs Computing kpt #: 226 total cpu time spent up to now is 98.2 secs Computing kpt #: 227 total cpu time spent up to now is 98.5 secs Computing kpt #: 228 total cpu time spent up to now is 98.8 secs Computing kpt #: 229 total cpu time spent up to now is 99.3 secs Computing kpt #: 230 total cpu time spent up to now is 99.5 secs Computing kpt #: 231 total cpu time spent up to now is 99.9 secs Computing kpt #: 232 total cpu time spent up to now is 100.2 secs Computing kpt #: 233 total cpu time spent up to now is 100.5 secs Computing kpt #: 234 total cpu time spent up to now is 100.7 secs Computing kpt #: 235 total cpu time spent up to now is 101.1 secs Computing kpt #: 236 total cpu time spent up to now is 101.3 secs Computing kpt #: 237 total cpu time spent up to now is 101.5 secs Computing kpt #: 238 total cpu time spent up to now is 101.7 secs Computing kpt #: 239 total cpu time spent up to now is 101.9 secs Computing kpt #: 240 total cpu time spent up to now is 102.1 secs Computing kpt #: 241 total cpu time spent up to now is 102.3 secs Computing kpt #: 242 total cpu time spent up to now is 102.5 secs Computing kpt #: 243 total cpu time spent up to now is 102.7 secs Computing kpt #: 244 total cpu time spent up to now is 102.9 secs Computing kpt #: 245 total cpu time spent up to now is 103.1 secs Computing kpt #: 246 total cpu time spent up to now is 103.3 secs Computing kpt #: 247 total cpu time spent up to now is 103.7 secs Computing kpt #: 248 total cpu time spent up to now is 104.1 secs Computing kpt #: 249 total cpu time spent up to now is 104.5 secs Computing kpt #: 250 total cpu time spent up to now is 104.7 secs Computing kpt #: 251 total cpu time spent up to now is 105.2 secs Computing kpt #: 252 total cpu time spent up to now is 105.6 secs Computing kpt #: 253 total cpu time spent up to now is 106.1 secs Computing kpt #: 254 total cpu time spent up to now is 106.5 secs Computing kpt #: 255 total cpu time spent up to now is 106.9 secs Computing kpt #: 256 total cpu time spent up to now is 107.4 secs Computing kpt #: 257 total cpu time spent up to now is 107.7 secs Computing kpt #: 258 total cpu time spent up to now is 108.0 secs Computing kpt #: 259 total cpu time spent up to now is 108.3 secs Computing kpt #: 260 total cpu time spent up to now is 108.7 secs Computing kpt #: 261 total cpu time spent up to now is 109.3 secs Computing kpt #: 262 total cpu time spent up to now is 109.5 secs Computing kpt #: 263 total cpu time spent up to now is 109.8 secs Computing kpt #: 264 total cpu time spent up to now is 110.0 secs Computing kpt #: 265 total cpu time spent up to now is 110.2 secs Computing kpt #: 266 total cpu time spent up to now is 110.4 secs Computing kpt #: 267 total cpu time spent up to now is 110.6 secs Computing kpt #: 268 total cpu time spent up to now is 110.8 secs Computing kpt #: 269 total cpu time spent up to now is 111.0 secs Computing kpt #: 270 total cpu time spent up to now is 111.2 secs Computing kpt #: 271 total cpu time spent up to now is 111.4 secs Computing kpt #: 272 total cpu time spent up to now is 111.6 secs Computing kpt #: 273 total cpu time spent up to now is 111.8 secs Computing kpt #: 274 total cpu time spent up to now is 112.0 secs Computing kpt #: 275 total cpu time spent up to now is 112.2 secs Computing kpt #: 276 total cpu time spent up to now is 112.8 secs Computing kpt #: 277 total cpu time spent up to now is 113.0 secs Computing kpt #: 278 total cpu time spent up to now is 113.2 secs Computing kpt #: 279 total cpu time spent up to now is 113.5 secs Computing kpt #: 280 total cpu time spent up to now is 113.7 secs Computing kpt #: 281 total cpu time spent up to now is 114.0 secs Computing kpt #: 282 total cpu time spent up to now is 114.3 secs Computing kpt #: 283 total cpu time spent up to now is 114.5 secs Computing kpt #: 284 total cpu time spent up to now is 114.7 secs Computing kpt #: 285 total cpu time spent up to now is 114.9 secs Computing kpt #: 286 total cpu time spent up to now is 115.1 secs Computing kpt #: 287 total cpu time spent up to now is 115.4 secs Computing kpt #: 288 total cpu time spent up to now is 115.6 secs Computing kpt #: 289 total cpu time spent up to now is 115.8 secs Computing kpt #: 290 total cpu time spent up to now is 116.2 secs Computing kpt #: 291 total cpu time spent up to now is 116.4 secs Computing kpt #: 292 total cpu time spent up to now is 116.9 secs Computing kpt #: 293 total cpu time spent up to now is 117.6 secs Computing kpt #: 294 total cpu time spent up to now is 118.0 secs Computing kpt #: 295 total cpu time spent up to now is 118.6 secs Computing kpt #: 296 total cpu time spent up to now is 119.0 secs Computing kpt #: 297 total cpu time spent up to now is 119.5 secs Computing kpt #: 298 total cpu time spent up to now is 119.9 secs Computing kpt #: 299 total cpu time spent up to now is 120.2 secs Computing kpt #: 300 total cpu time spent up to now is 120.6 secs Computing kpt #: 301 total cpu time spent up to now is 121.0 secs Computing kpt #: 302 total cpu time spent up to now is 121.4 secs Computing kpt #: 303 total cpu time spent up to now is 121.7 secs Computing kpt #: 304 total cpu time spent up to now is 121.9 secs Computing kpt #: 305 total cpu time spent up to now is 122.1 secs Computing kpt #: 306 total cpu time spent up to now is 122.4 secs Computing kpt #: 307 total cpu time spent up to now is 122.6 secs Computing kpt #: 308 total cpu time spent up to now is 122.8 secs Computing kpt #: 309 total cpu time spent up to now is 123.0 secs Computing kpt #: 310 total cpu time spent up to now is 123.2 secs Computing kpt #: 311 total cpu time spent up to now is 123.4 secs Computing kpt #: 312 total cpu time spent up to now is 123.6 secs Computing kpt #: 313 total cpu time spent up to now is 123.8 secs Computing kpt #: 314 total cpu time spent up to now is 124.0 secs Computing kpt #: 315 total cpu time spent up to now is 124.2 secs Computing kpt #: 316 total cpu time spent up to now is 124.4 secs Computing kpt #: 317 total cpu time spent up to now is 124.7 secs Computing kpt #: 318 total cpu time spent up to now is 124.9 secs Computing kpt #: 319 total cpu time spent up to now is 125.2 secs Computing kpt #: 320 total cpu time spent up to now is 125.4 secs Computing kpt #: 321 total cpu time spent up to now is 125.7 secs Computing kpt #: 322 total cpu time spent up to now is 126.0 secs Computing kpt #: 323 total cpu time spent up to now is 126.3 secs Computing kpt #: 324 total cpu time spent up to now is 126.7 secs Computing kpt #: 325 total cpu time spent up to now is 126.9 secs Computing kpt #: 326 total cpu time spent up to now is 127.1 secs Computing kpt #: 327 total cpu time spent up to now is 127.5 secs Computing kpt #: 328 total cpu time spent up to now is 127.9 secs Computing kpt #: 329 total cpu time spent up to now is 128.1 secs Computing kpt #: 330 total cpu time spent up to now is 128.3 secs Computing kpt #: 331 total cpu time spent up to now is 128.6 secs Computing kpt #: 332 total cpu time spent up to now is 128.9 secs Computing kpt #: 333 total cpu time spent up to now is 129.2 secs Computing kpt #: 334 total cpu time spent up to now is 129.4 secs Computing kpt #: 335 total cpu time spent up to now is 129.9 secs Computing kpt #: 336 total cpu time spent up to now is 130.1 secs Computing kpt #: 337 total cpu time spent up to now is 130.3 secs Computing kpt #: 338 total cpu time spent up to now is 130.5 secs Computing kpt #: 339 total cpu time spent up to now is 130.8 secs Computing kpt #: 340 total cpu time spent up to now is 131.0 secs Computing kpt #: 341 total cpu time spent up to now is 131.2 secs Computing kpt #: 342 total cpu time spent up to now is 131.4 secs Computing kpt #: 343 total cpu time spent up to now is 131.6 secs Computing kpt #: 344 total cpu time spent up to now is 131.8 secs Computing kpt #: 345 total cpu time spent up to now is 132.0 secs Computing kpt #: 346 total cpu time spent up to now is 132.4 secs Computing kpt #: 347 total cpu time spent up to now is 132.8 secs Computing kpt #: 348 total cpu time spent up to now is 133.8 secs Computing kpt #: 349 total cpu time spent up to now is 134.1 secs Computing kpt #: 350 total cpu time spent up to now is 134.7 secs Computing kpt #: 351 total cpu time spent up to now is 135.3 secs Computing kpt #: 352 total cpu time spent up to now is 135.7 secs Computing kpt #: 353 total cpu time spent up to now is 136.8 secs Computing kpt #: 354 total cpu time spent up to now is 137.0 secs Computing kpt #: 355 total cpu time spent up to now is 137.3 secs Computing kpt #: 356 total cpu time spent up to now is 137.6 secs Computing kpt #: 357 total cpu time spent up to now is 137.9 secs Computing kpt #: 358 total cpu time spent up to now is 138.3 secs Computing kpt #: 359 total cpu time spent up to now is 138.7 secs Computing kpt #: 360 total cpu time spent up to now is 139.1 secs Computing kpt #: 361 total cpu time spent up to now is 139.4 secs Computing kpt #: 362 total cpu time spent up to now is 139.7 secs Computing kpt #: 363 total cpu time spent up to now is 140.0 secs Computing kpt #: 364 total cpu time spent up to now is 140.3 secs Computing kpt #: 365 total cpu time spent up to now is 140.6 secs Computing kpt #: 366 total cpu time spent up to now is 140.8 secs Computing kpt #: 367 total cpu time spent up to now is 141.1 secs Computing kpt #: 368 total cpu time spent up to now is 141.3 secs Computing kpt #: 369 total cpu time spent up to now is 141.5 secs Computing kpt #: 370 total cpu time spent up to now is 141.7 secs Computing kpt #: 371 total cpu time spent up to now is 141.9 secs Computing kpt #: 372 total cpu time spent up to now is 142.1 secs Computing kpt #: 373 total cpu time spent up to now is 142.3 secs Computing kpt #: 374 total cpu time spent up to now is 142.6 secs Computing kpt #: 375 total cpu time spent up to now is 142.8 secs Computing kpt #: 376 total cpu time spent up to now is 143.0 secs Computing kpt #: 377 total cpu time spent up to now is 143.2 secs Computing kpt #: 378 total cpu time spent up to now is 143.4 secs Computing kpt #: 379 total cpu time spent up to now is 143.6 secs Computing kpt #: 380 total cpu time spent up to now is 143.8 secs Computing kpt #: 381 total cpu time spent up to now is 144.0 secs Computing kpt #: 382 total cpu time spent up to now is 144.2 secs Computing kpt #: 383 total cpu time spent up to now is 144.4 secs Computing kpt #: 384 total cpu time spent up to now is 144.8 secs Computing kpt #: 385 total cpu time spent up to now is 145.1 secs Computing kpt #: 386 total cpu time spent up to now is 145.4 secs Computing kpt #: 387 total cpu time spent up to now is 145.7 secs Computing kpt #: 388 total cpu time spent up to now is 145.9 secs Computing kpt #: 389 total cpu time spent up to now is 146.1 secs Computing kpt #: 390 total cpu time spent up to now is 146.4 secs Computing kpt #: 391 total cpu time spent up to now is 146.8 secs Computing kpt #: 392 total cpu time spent up to now is 147.1 secs Computing kpt #: 393 total cpu time spent up to now is 147.5 secs Computing kpt #: 394 total cpu time spent up to now is 147.8 secs Computing kpt #: 395 total cpu time spent up to now is 148.3 secs Computing kpt #: 396 total cpu time spent up to now is 148.6 secs Computing kpt #: 397 total cpu time spent up to now is 148.9 secs Computing kpt #: 398 total cpu time spent up to now is 149.4 secs Computing kpt #: 399 total cpu time spent up to now is 150.4 secs Computing kpt #: 400 total cpu time spent up to now is 150.7 secs Computing kpt #: 401 total cpu time spent up to now is 150.9 secs Computing kpt #: 402 total cpu time spent up to now is 151.1 secs Computing kpt #: 403 total cpu time spent up to now is 151.3 secs Computing kpt #: 404 total cpu time spent up to now is 151.5 secs Computing kpt #: 405 total cpu time spent up to now is 151.7 secs Computing kpt #: 406 total cpu time spent up to now is 151.9 secs Computing kpt #: 407 total cpu time spent up to now is 152.1 secs Computing kpt #: 408 total cpu time spent up to now is 152.3 secs Computing kpt #: 409 total cpu time spent up to now is 152.5 secs Computing kpt #: 410 total cpu time spent up to now is 152.7 secs Computing kpt #: 411 total cpu time spent up to now is 153.2 secs Computing kpt #: 412 total cpu time spent up to now is 153.4 secs Computing kpt #: 413 total cpu time spent up to now is 153.9 secs Computing kpt #: 414 total cpu time spent up to now is 154.2 secs Computing kpt #: 415 total cpu time spent up to now is 154.5 secs Computing kpt #: 416 total cpu time spent up to now is 154.8 secs Computing kpt #: 417 total cpu time spent up to now is 155.2 secs Computing kpt #: 418 total cpu time spent up to now is 155.9 secs Computing kpt #: 419 total cpu time spent up to now is 156.2 secs Computing kpt #: 420 total cpu time spent up to now is 156.6 secs Computing kpt #: 421 total cpu time spent up to now is 156.8 secs Computing kpt #: 422 total cpu time spent up to now is 157.0 secs Computing kpt #: 423 total cpu time spent up to now is 157.3 secs Computing kpt #: 424 total cpu time spent up to now is 157.5 secs Computing kpt #: 425 total cpu time spent up to now is 157.8 secs Computing kpt #: 426 total cpu time spent up to now is 159.0 secs Computing kpt #: 427 total cpu time spent up to now is 159.3 secs Computing kpt #: 428 total cpu time spent up to now is 159.5 secs Computing kpt #: 429 total cpu time spent up to now is 159.7 secs Computing kpt #: 430 total cpu time spent up to now is 159.9 secs Computing kpt #: 431 total cpu time spent up to now is 160.2 secs Computing kpt #: 432 total cpu time spent up to now is 160.4 secs Computing kpt #: 433 total cpu time spent up to now is 160.6 secs Computing kpt #: 434 total cpu time spent up to now is 160.8 secs Computing kpt #: 435 total cpu time spent up to now is 161.0 secs Computing kpt #: 436 total cpu time spent up to now is 161.2 secs Computing kpt #: 437 total cpu time spent up to now is 161.4 secs Computing kpt #: 438 total cpu time spent up to now is 161.7 secs Computing kpt #: 439 total cpu time spent up to now is 161.9 secs Computing kpt #: 440 total cpu time spent up to now is 162.1 secs Computing kpt #: 441 total cpu time spent up to now is 162.3 secs Computing kpt #: 442 total cpu time spent up to now is 162.5 secs Computing kpt #: 443 total cpu time spent up to now is 162.8 secs Computing kpt #: 444 total cpu time spent up to now is 163.0 secs Computing kpt #: 445 total cpu time spent up to now is 163.2 secs Computing kpt #: 446 total cpu time spent up to now is 163.4 secs Computing kpt #: 447 total cpu time spent up to now is 163.6 secs Computing kpt #: 448 total cpu time spent up to now is 163.8 secs Computing kpt #: 449 total cpu time spent up to now is 164.1 secs Computing kpt #: 450 total cpu time spent up to now is 164.3 secs Computing kpt #: 451 total cpu time spent up to now is 164.5 secs Computing kpt #: 452 total cpu time spent up to now is 164.7 secs Computing kpt #: 453 total cpu time spent up to now is 165.0 secs Computing kpt #: 454 total cpu time spent up to now is 165.2 secs Computing kpt #: 455 total cpu time spent up to now is 165.4 secs Computing kpt #: 456 total cpu time spent up to now is 165.6 secs Computing kpt #: 457 total cpu time spent up to now is 165.8 secs Computing kpt #: 458 total cpu time spent up to now is 166.2 secs Computing kpt #: 459 total cpu time spent up to now is 166.4 secs Computing kpt #: 460 total cpu time spent up to now is 166.7 secs Computing kpt #: 461 total cpu time spent up to now is 167.1 secs Computing kpt #: 462 total cpu time spent up to now is 167.6 secs Computing kpt #: 463 total cpu time spent up to now is 168.0 secs Computing kpt #: 464 total cpu time spent up to now is 168.2 secs Computing kpt #: 465 total cpu time spent up to now is 168.5 secs Computing kpt #: 466 total cpu time spent up to now is 168.9 secs Computing kpt #: 467 total cpu time spent up to now is 169.1 secs Computing kpt #: 468 total cpu time spent up to now is 170.0 secs Computing kpt #: 469 total cpu time spent up to now is 170.3 secs Computing kpt #: 470 total cpu time spent up to now is 170.7 secs Computing kpt #: 471 total cpu time spent up to now is 171.0 secs Computing kpt #: 472 total cpu time spent up to now is 171.3 secs Computing kpt #: 473 total cpu time spent up to now is 171.6 secs Computing kpt #: 474 total cpu time spent up to now is 171.8 secs Computing kpt #: 475 total cpu time spent up to now is 172.1 secs Computing kpt #: 476 total cpu time spent up to now is 172.3 secs Computing kpt #: 477 total cpu time spent up to now is 172.6 secs Computing kpt #: 478 total cpu time spent up to now is 172.9 secs Computing kpt #: 479 total cpu time spent up to now is 173.1 secs Computing kpt #: 480 total cpu time spent up to now is 173.4 secs Computing kpt #: 481 total cpu time spent up to now is 173.6 secs Computing kpt #: 482 total cpu time spent up to now is 173.8 secs Computing kpt #: 483 total cpu time spent up to now is 174.1 secs Computing kpt #: 484 total cpu time spent up to now is 174.3 secs Computing kpt #: 485 total cpu time spent up to now is 174.5 secs Computing kpt #: 486 total cpu time spent up to now is 174.8 secs Computing kpt #: 487 total cpu time spent up to now is 175.0 secs Computing kpt #: 488 total cpu time spent up to now is 175.2 secs Computing kpt #: 489 total cpu time spent up to now is 175.4 secs Computing kpt #: 490 total cpu time spent up to now is 175.7 secs Computing kpt #: 491 total cpu time spent up to now is 175.9 secs Computing kpt #: 492 total cpu time spent up to now is 176.1 secs Computing kpt #: 493 total cpu time spent up to now is 176.3 secs Computing kpt #: 494 total cpu time spent up to now is 176.6 secs Computing kpt #: 495 total cpu time spent up to now is 176.8 secs Computing kpt #: 496 total cpu time spent up to now is 177.0 secs Computing kpt #: 497 total cpu time spent up to now is 177.3 secs Computing kpt #: 498 total cpu time spent up to now is 177.5 secs Computing kpt #: 499 total cpu time spent up to now is 177.7 secs Computing kpt #: 500 total cpu time spent up to now is 178.0 secs Computing kpt #: 501 total cpu time spent up to now is 178.2 secs Computing kpt #: 502 total cpu time spent up to now is 178.4 secs Computing kpt #: 503 total cpu time spent up to now is 178.7 secs Computing kpt #: 504 total cpu time spent up to now is 178.9 secs Computing kpt #: 505 total cpu time spent up to now is 179.1 secs Computing kpt #: 506 total cpu time spent up to now is 179.4 secs Computing kpt #: 507 total cpu time spent up to now is 179.6 secs Computing kpt #: 508 total cpu time spent up to now is 179.8 secs Computing kpt #: 509 total cpu time spent up to now is 180.1 secs Computing kpt #: 510 total cpu time spent up to now is 180.3 secs Computing kpt #: 511 total cpu time spent up to now is 180.6 secs Computing kpt #: 512 total cpu time spent up to now is 180.9 secs Computing kpt #: 513 total cpu time spent up to now is 181.2 secs Computing kpt #: 514 total cpu time spent up to now is 181.5 secs Computing kpt #: 515 total cpu time spent up to now is 181.7 secs Computing kpt #: 516 total cpu time spent up to now is 182.0 secs Computing kpt #: 517 total cpu time spent up to now is 182.6 secs Computing kpt #: 518 total cpu time spent up to now is 184.5 secs Computing kpt #: 519 total cpu time spent up to now is 184.9 secs Computing kpt #: 520 total cpu time spent up to now is 185.3 secs Computing kpt #: 521 total cpu time spent up to now is 186.3 secs Computing kpt #: 522 total cpu time spent up to now is 187.1 secs Computing kpt #: 523 total cpu time spent up to now is 187.6 secs ethr = 5.00E-11, avg # of iterations = 12.8 total cpu time spent up to now is 187.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 901 PWs) bands (ev): -53.9664 -53.9664 -26.1482 -26.1482 -22.8231 -22.8231 -22.6111 -22.6111 5.2030 5.2030 14.1968 14.1968 14.9770 14.9770 15.1396 15.1396 18.7859 18.7859 18.9448 18.9448 18.9907 18.9907 22.9675 22.9675 23.0381 23.0381 26.2001 26.2001 k = 0.0079 0.0046-0.0000 ( 901 PWs) bands (ev): -53.9663 -53.9663 -26.1482 -26.1482 -22.8232 -22.8232 -22.6112 -22.6112 5.2043 5.2043 14.1971 14.1971 14.9769 14.9769 15.1395 15.1395 18.7533 18.7533 18.9000 18.9000 19.0684 19.0684 22.9650 22.9650 23.0359 23.0359 26.2042 26.2042 k = 0.0159 0.0092-0.0000 ( 901 PWs) bands (ev): -53.9663 -53.9663 -26.1485 -26.1485 -22.8233 -22.8233 -22.6117 -22.6117 5.2083 5.2083 14.1978 14.1978 14.9766 14.9766 15.1394 15.1394 18.6697 18.6697 18.8774 18.8774 19.1760 19.1760 22.9575 22.9575 23.0293 23.0293 26.2163 26.2163 k = 0.0238 0.0137-0.0000 ( 901 PWs) bands (ev): -53.9661 -53.9661 -26.1488 -26.1488 -22.8235 -22.8235 -22.6126 -22.6126 5.2149 5.2149 14.1991 14.1991 14.9756 14.9756 15.1396 15.1396 18.5675 18.5675 18.8691 18.8691 19.2886 19.2886 22.9447 22.9447 23.0186 23.0186 26.2365 26.2365 k = 0.0317 0.0183-0.0000 ( 897 PWs) bands (ev): -53.9659 -53.9659 -26.1493 -26.1493 -22.8238 -22.8238 -22.6138 -22.6138 5.2241 5.2241 14.2007 14.2007 14.9735 14.9735 15.1410 15.1410 18.4604 18.4604 18.8644 18.8644 19.4035 19.4035 22.9264 22.9264 23.0046 23.0046 26.2643 26.2643 k = 0.0397 0.0229-0.0000 ( 897 PWs) bands (ev): -53.9657 -53.9657 -26.1499 -26.1499 -22.8242 -22.8242 -22.6153 -22.6153 5.2359 5.2359 14.2024 14.2024 14.9695 14.9695 15.1442 15.1442 18.3520 18.3520 18.8604 18.8604 19.5197 19.5197 22.9021 22.9021 22.9874 22.9874 26.2997 26.2997 k = 0.0476 0.0275-0.0000 ( 897 PWs) bands (ev): -53.9654 -53.9654 -26.1507 -26.1507 -22.8246 -22.8246 -22.6171 -22.6171 5.2503 5.2503 14.2042 14.2042 14.9632 14.9632 15.1500 15.1500 18.2436 18.2436 18.8564 18.8564 19.6367 19.6367 22.8719 22.8719 22.9677 22.9677 26.3423 26.3423 k = 0.0556 0.0321-0.0000 ( 899 PWs) bands (ev): -53.9650 -53.9650 -26.1516 -26.1516 -22.8252 -22.8252 -22.6193 -22.6193 5.2672 5.2672 14.2056 14.2056 14.9543 14.9543 15.1591 15.1591 18.1357 18.1357 18.8521 18.8521 19.7543 19.7543 22.8358 22.8358 22.9456 22.9456 26.3917 26.3917 k = 0.0635 0.0367-0.0000 ( 899 PWs) bands (ev): -53.9646 -53.9646 -26.1526 -26.1526 -22.8258 -22.8258 -22.6217 -22.6217 5.2868 5.2868 14.2064 14.2064 14.9430 14.9430 15.1717 15.1717 18.0286 18.0286 18.8474 18.8474 19.8723 19.8723 22.7942 22.7942 22.9212 22.9212 26.4475 26.4475 k = 0.0714 0.0412-0.0000 ( 899 PWs) bands (ev): -53.9642 -53.9642 -26.1538 -26.1538 -22.8265 -22.8265 -22.6245 -22.6245 5.3088 5.3088 14.2062 14.2062 14.9298 14.9298 15.1878 15.1878 17.9226 17.9226 18.8422 18.8422 19.9905 19.9905 22.7476 22.7476 22.8945 22.8945 26.5093 26.5093 k = 0.0794 0.0458-0.0000 ( 903 PWs) bands (ev): -53.9637 -53.9637 -26.1551 -26.1551 -22.8273 -22.8273 -22.6276 -22.6276 5.3334 5.3334 14.2044 14.2044 14.9152 14.9152 15.2073 15.2073 17.8176 17.8176 18.8365 18.8365 20.1087 20.1087 22.6961 22.6961 22.8654 22.8654 26.5766 26.5766 k = 0.0873 0.0504-0.0000 ( 905 PWs) bands (ev): -53.9631 -53.9631 -26.1565 -26.1565 -22.8283 -22.8283 -22.6309 -22.6309 5.3604 5.3604 14.2006 14.2006 14.9002 14.9002 15.2300 15.2300 17.7138 17.7138 18.8303 18.8303 20.2270 20.2270 22.6405 22.6405 22.8341 22.8341 26.6490 26.6490 k = 0.0952 0.0550-0.0000 ( 905 PWs) bands (ev): -53.9625 -53.9625 -26.1580 -26.1580 -22.8293 -22.8293 -22.6344 -22.6344 5.3898 5.3898 14.1942 14.1942 14.8855 14.8855 15.2558 15.2558 17.6113 17.6113 18.8237 18.8237 20.3451 20.3451 22.5810 22.5810 22.8006 22.8006 26.7259 26.7259 k = 0.1032 0.0596-0.0000 ( 909 PWs) bands (ev): -53.9619 -53.9619 -26.1597 -26.1597 -22.8304 -22.8304 -22.6383 -22.6383 5.4217 5.4217 14.1846 14.1846 14.8720 14.8720 15.2844 15.2844 17.5101 17.5101 18.8166 18.8166 20.4629 20.4629 22.5180 22.5180 22.7647 22.7647 26.8070 26.8070 k = 0.1111 0.0642-0.0000 ( 909 PWs) bands (ev): -53.9612 -53.9612 -26.1615 -26.1615 -22.8316 -22.8316 -22.6423 -22.6423 5.4559 5.4559 14.1711 14.1711 14.8606 14.8606 15.3158 15.3158 17.4103 17.4103 18.8090 18.8090 20.5805 20.5805 22.4520 22.4520 22.7268 22.7268 26.8916 26.8916 k = 0.1190 0.0687-0.0000 ( 909 PWs) bands (ev): -53.9605 -53.9605 -26.1634 -26.1634 -22.8329 -22.8329 -22.6465 -22.6465 5.4924 5.4924 14.1533 14.1533 14.8518 14.8518 15.3498 15.3498 17.3120 17.3120 18.8010 18.8010 20.6975 20.6975 22.3833 22.3833 22.6869 22.6869 26.9792 26.9792 k = 0.1270 0.0733-0.0000 ( 909 PWs) bands (ev): -53.9597 -53.9597 -26.1654 -26.1654 -22.8343 -22.8343 -22.6510 -22.6510 5.5312 5.5312 14.1310 14.1310 14.8462 14.8462 15.3863 15.3863 17.2152 17.2152 18.7926 18.7926 20.8139 20.8139 22.3122 22.3122 22.6451 22.6451 27.0694 27.0694 k = 0.1349 0.0779-0.0000 ( 913 PWs) bands (ev): -53.9589 -53.9589 -26.1675 -26.1675 -22.8358 -22.8358 -22.6556 -22.6556 5.5723 5.5723 14.1038 14.1038 14.8439 14.8439 15.4251 15.4251 17.1199 17.1199 18.7838 18.7838 20.9296 20.9296 22.2390 22.2390 22.6013 22.6013 27.1615 27.1615 k = 0.1429 0.0825-0.0000 ( 913 PWs) bands (ev): -53.9581 -53.9581 -26.1697 -26.1697 -22.8375 -22.8375 -22.6603 -22.6603 5.6154 5.6154 14.0719 14.0719 14.8452 14.8452 15.4663 15.4663 17.0262 17.0262 18.7746 18.7746 21.0445 21.0445 22.1644 22.1644 22.5558 22.5558 27.2551 27.2551 k = 0.1508 0.0871-0.0000 ( 913 PWs) bands (ev): -53.9572 -53.9572 -26.1720 -26.1720 -22.8393 -22.8393 -22.6652 -22.6652 5.6607 5.6607 14.0356 14.0356 14.8498 14.8498 15.5097 15.5097 16.9341 16.9341 18.7651 18.7651 21.1584 21.1584 22.0885 22.0885 22.5087 22.5087 27.3495 27.3495 k = 0.1587 0.0916-0.0000 ( 911 PWs) bands (ev): -53.9563 -53.9563 -26.1744 -26.1744 -22.8412 -22.8412 -22.6701 -22.6701 5.7080 5.7080 13.9953 13.9953 14.8575 14.8575 15.5552 15.5552 16.8437 16.8437 18.7553 18.7553 21.2711 21.2711 22.0118 22.0118 22.4601 22.4601 27.4442 27.4442 k = 0.1667 0.0962-0.0000 ( 911 PWs) bands (ev): -53.9553 -53.9553 -26.1768 -26.1768 -22.8432 -22.8432 -22.6752 -22.6752 5.7573 5.7573 13.9511 13.9511 14.8678 14.8678 15.6028 15.6028 16.7549 16.7549 18.7452 18.7452 21.3824 21.3824 21.9348 21.9348 22.4100 22.4100 27.5387 27.5387 k = 0.1746 0.1008-0.0000 ( 915 PWs) bands (ev): -53.9544 -53.9544 -26.1794 -26.1794 -22.8454 -22.8454 -22.6802 -22.6802 5.8085 5.8085 13.9037 13.9037 14.8803 14.8803 15.6524 15.6524 16.6679 16.6679 18.7347 18.7347 21.4916 21.4916 21.8581 21.8581 22.3586 22.3586 27.6324 27.6324 k = 0.1825 0.1054-0.0000 ( 917 PWs) bands (ev): -53.9534 -53.9534 -26.1820 -26.1820 -22.8477 -22.8477 -22.6854 -22.6854 5.8616 5.8616 13.8535 13.8535 14.8947 14.8947 15.7039 15.7039 16.5827 16.5827 18.7241 18.7241 21.5973 21.5973 21.7836 21.7836 22.3061 22.3061 27.7246 27.7246 k = 0.1905 0.1100-0.0000 ( 917 PWs) bands (ev): -53.9524 -53.9524 -26.1847 -26.1847 -22.8502 -22.8502 -22.6905 -22.6905 5.9164 5.9164 13.8009 13.8009 14.9105 14.9105 15.7572 15.7572 16.4993 16.4993 18.7133 18.7133 21.6710 21.6710 21.7400 21.7400 22.2527 22.2527 27.8150 27.8150 k = 0.1984 0.1146-0.0000 ( 917 PWs) bands (ev): -53.9513 -53.9513 -26.1875 -26.1875 -22.8528 -22.8528 -22.6955 -22.6955 5.9728 5.9728 13.7464 13.7464 14.9272 14.9272 15.8122 15.8122 16.4178 16.4178 18.7021 18.7021 21.6177 21.6177 21.8220 21.8220 22.1986 22.1986 27.9029 27.9029 k = 0.2063 0.1191-0.0000 ( 919 PWs) bands (ev): -53.9503 -53.9503 -26.1903 -26.1903 -22.8556 -22.8556 -22.7006 -22.7006 6.0309 6.0309 13.6902 13.6902 14.9446 14.9446 15.8687 15.8687 16.3385 16.3385 18.6909 18.6909 21.5452 21.5452 21.9214 21.9214 22.1448 22.1448 27.9878 27.9878 k = 0.2143 0.1237-0.0000 ( 919 PWs) bands (ev): -53.9492 -53.9492 -26.1931 -26.1931 -22.8585 -22.8585 -22.7055 -22.7055 6.0905 6.0905 13.6327 13.6327 14.9622 14.9622 15.9264 15.9264 16.2613 16.2613 18.6796 18.6796 21.4724 21.4724 22.0114 22.0114 22.0996 22.0996 28.0692 28.0692 k = 0.2222 0.1283-0.0000 ( 917 PWs) bands (ev): -53.9481 -53.9481 -26.1960 -26.1960 -22.8616 -22.8616 -22.7104 -22.7104 6.1515 6.1515 13.5742 13.5742 14.9798 14.9798 15.9846 15.9846 16.1872 16.1872 18.6682 18.6682 21.4011 21.4011 22.0140 22.0140 22.1395 22.1395 28.1468 28.1468 k = 0.2302 0.1329-0.0000 ( 917 PWs) bands (ev): -53.9470 -53.9470 -26.1989 -26.1989 -22.8649 -22.8649 -22.7151 -22.7151 6.2138 6.2138 13.5150 13.5150 14.9969 14.9969 16.0370 16.0370 16.1222 16.1222 18.6567 18.6567 21.3316 21.3316 21.9617 21.9617 22.2318 22.2318 28.2202 28.2202 k = 0.2381 0.1375-0.0000 ( 915 PWs) bands (ev): -53.9459 -53.9459 -26.2019 -26.2019 -22.8683 -22.8683 -22.7197 -22.7197 6.2773 6.2773 13.4552 13.4552 15.0133 15.0133 16.0242 16.0242 16.1258 16.1258 18.6452 18.6452 21.2645 21.2645 21.9045 21.9045 22.3263 22.3263 28.2891 28.2891 k = 0.2460 0.1420-0.0000 ( 909 PWs) bands (ev): -53.9448 -53.9448 -26.2048 -26.2048 -22.8719 -22.8719 -22.7242 -22.7242 6.3419 6.3419 13.3951 13.3951 15.0288 15.0288 15.9608 15.9608 16.1835 16.1835 18.6337 18.6337 21.2002 21.2002 21.8459 21.8459 22.4196 22.4196 28.3532 28.3532 k = 0.2540 0.1466-0.0000 ( 909 PWs) bands (ev): -53.9437 -53.9437 -26.2078 -26.2078 -22.8756 -22.8756 -22.7285 -22.7285 6.4075 6.4075 13.3348 13.3348 15.0430 15.0430 15.8942 15.8942 16.2473 16.2473 18.6222 18.6222 21.1388 21.1388 21.7864 21.7864 22.5108 22.5108 28.4125 28.4125 k = 0.2619 0.1512-0.0000 ( 909 PWs) bands (ev): -53.9426 -53.9426 -26.2108 -26.2108 -22.8795 -22.8795 -22.7326 -22.7326 6.4740 6.4740 13.2746 13.2746 15.0558 15.0558 15.8286 15.8286 16.3131 16.3131 18.6107 18.6107 21.0807 21.0807 21.7265 21.7265 22.5997 22.5997 28.4667 28.4667 k = 0.2698 0.1558-0.0000 ( 913 PWs) bands (ev): -53.9415 -53.9415 -26.2138 -26.2138 -22.8836 -22.8836 -22.7365 -22.7365 6.5412 6.5412 13.2146 13.2146 15.0668 15.0668 15.7647 15.7647 16.3802 16.3802 18.5993 18.5993 21.0261 21.0261 21.6663 21.6663 22.6859 22.6859 28.5160 28.5160 k = 0.2778 0.1604-0.0000 ( 913 PWs) bands (ev): -53.9404 -53.9404 -26.2167 -26.2167 -22.8877 -22.8877 -22.7403 -22.7403 6.6090 6.6090 13.1549 13.1549 15.0760 15.0760 15.7027 15.7027 16.4484 16.4484 18.5880 18.5880 20.9752 20.9752 21.6058 21.6058 22.7698 22.7698 28.5604 28.5604 k = 0.2857 0.1650-0.0000 ( 909 PWs) bands (ev): -53.9393 -53.9393 -26.2197 -26.2197 -22.8920 -22.8920 -22.7438 -22.7438 6.6773 6.6773 13.0957 13.0957 15.0832 15.0832 15.6428 15.6428 16.5175 16.5175 18.5768 18.5768 20.9283 20.9283 21.5452 21.5452 22.8510 22.8510 28.6000 28.6000 k = 0.2937 0.1695-0.0000 ( 907 PWs) bands (ev): -53.9382 -53.9382 -26.2226 -26.2226 -22.8963 -22.8963 -22.7472 -22.7472 6.7460 6.7460 13.0371 13.0371 15.0883 15.0883 15.5849 15.5849 16.5872 16.5872 18.5658 18.5658 20.8853 20.8853 21.4847 21.4847 22.9294 22.9294 28.6351 28.6351 k = 0.3016 0.1741-0.0000 ( 907 PWs) bands (ev): -53.9372 -53.9372 -26.2255 -26.2255 -22.9007 -22.9007 -22.7503 -22.7503 6.8148 6.8148 12.9791 12.9791 15.0912 15.0912 15.5290 15.5290 16.6574 16.6574 18.5549 18.5549 20.8465 20.8465 21.4242 21.4242 23.0051 23.0051 28.6658 28.6658 k = 0.3095 0.1787-0.0000 ( 907 PWs) bands (ev): -53.9361 -53.9361 -26.2284 -26.2284 -22.9051 -22.9051 -22.7533 -22.7533 6.8836 6.8836 12.9221 12.9221 15.0918 15.0918 15.4753 15.4753 16.7280 16.7280 18.5443 18.5443 20.8118 20.8118 21.3638 21.3638 23.0778 23.0778 28.6924 28.6924 k = 0.3175 0.1833-0.0000 ( 905 PWs) bands (ev): -53.9351 -53.9351 -26.2312 -26.2312 -22.9096 -22.9096 -22.7561 -22.7561 6.9522 6.9522 12.8659 12.8659 15.0901 15.0901 15.4238 15.4238 16.7989 16.7989 18.5338 18.5338 20.7812 20.7812 21.3038 21.3038 23.1476 23.1476 28.7151 28.7151 k = 0.3254 0.1879-0.0000 ( 905 PWs) bands (ev): -53.9341 -53.9341 -26.2339 -26.2339 -22.9140 -22.9140 -22.7587 -22.7587 7.0206 7.0206 12.8108 12.8108 15.0861 15.0861 15.3745 15.3745 16.8698 16.8698 18.5237 18.5237 20.7546 20.7546 21.2443 21.2443 23.2143 23.2143 28.7343 28.7343 k = 0.3333 0.1925-0.0000 ( 905 PWs) bands (ev): -53.9331 -53.9331 -26.2366 -26.2366 -22.9185 -22.9185 -22.7611 -22.7611 7.0884 7.0884 12.7569 12.7569 15.0799 15.0799 15.3274 15.3274 16.9407 16.9407 18.5138 18.5138 20.7320 20.7320 21.1854 21.1854 23.2781 23.2781 28.7503 28.7503 k = 0.3413 0.1970-0.0000 ( 905 PWs) bands (ev): -53.9322 -53.9322 -26.2392 -26.2392 -22.9229 -22.9229 -22.7634 -22.7634 7.1554 7.1554 12.7042 12.7042 15.0714 15.0714 15.2826 15.2826 17.0113 17.0113 18.5042 18.5042 20.7129 20.7129 21.1274 21.1274 23.3388 23.3388 28.7633 28.7633 k = 0.3492 0.2016-0.0000 ( 905 PWs) bands (ev): -53.9313 -53.9313 -26.2418 -26.2418 -22.9272 -22.9272 -22.7655 -22.7655 7.2216 7.2216 12.6528 12.6528 15.0609 15.0609 15.2401 15.2401 17.0815 17.0815 18.4949 18.4949 20.6971 20.6971 21.0706 21.0706 23.3965 23.3965 28.7736 28.7736 k = 0.3571 0.2062-0.0000 ( 905 PWs) bands (ev): -53.9304 -53.9304 -26.2442 -26.2442 -22.9315 -22.9315 -22.7674 -22.7674 7.2866 7.2866 12.6028 12.6028 15.0485 15.0485 15.2000 15.2000 17.1510 17.1510 18.4861 18.4861 20.6840 20.6840 21.0155 21.0155 23.4510 23.4510 28.7816 28.7816 k = 0.3651 0.2108-0.0000 ( 903 PWs) bands (ev): -53.9295 -53.9295 -26.2466 -26.2466 -22.9356 -22.9356 -22.7692 -22.7692 7.3502 7.3502 12.5545 12.5545 15.0343 15.0343 15.1623 15.1623 17.2197 17.2197 18.4775 18.4775 20.6731 20.6731 20.9625 20.9625 23.5025 23.5025 28.7875 28.7875 k = 0.3730 0.2154-0.0000 ( 903 PWs) bands (ev): -53.9287 -53.9287 -26.2489 -26.2489 -22.9397 -22.9397 -22.7709 -22.7709 7.4123 7.4123 12.5078 12.5078 15.0185 15.0185 15.1271 15.1271 17.2872 17.2872 18.4693 18.4693 20.6631 20.6631 20.9126 20.9126 23.5509 23.5509 28.7915 28.7915 k = 0.3810 0.2199-0.0000 ( 903 PWs) bands (ev): -53.9280 -53.9280 -26.2510 -26.2510 -22.9435 -22.9435 -22.7724 -22.7724 7.4725 7.4725 12.4629 12.4629 15.0013 15.0013 15.0943 15.0943 17.3535 17.3535 18.4616 18.4616 20.6525 20.6525 20.8673 20.8673 23.5961 23.5961 28.7938 28.7938 k = 0.3889 0.2245-0.0000 ( 915 PWs) bands (ev): -53.9272 -53.9272 -26.2532 -26.2532 -22.9473 -22.9473 -22.7738 -22.7738 7.5305 7.5305 12.4199 12.4199 14.9829 14.9829 15.0639 15.0639 17.4179 17.4179 18.4541 18.4541 20.6389 20.6389 20.8287 20.8287 23.6382 23.6382 28.7948 28.7948 k = 0.3968 0.2291-0.0000 ( 915 PWs) bands (ev): -53.9265 -53.9265 -26.2551 -26.2551 -22.9508 -22.9508 -22.7751 -22.7751 7.5862 7.5862 12.3790 12.3790 14.9639 14.9639 15.0361 15.0361 17.4806 17.4806 18.4471 18.4471 20.6196 20.6196 20.7996 20.7996 23.6775 23.6775 28.7947 28.7947 k = 0.4048 0.2337-0.0000 ( 915 PWs) bands (ev): -53.9259 -53.9259 -26.2569 -26.2569 -22.9541 -22.9541 -22.7763 -22.7763 7.6393 7.6393 12.3403 12.3403 14.9447 14.9447 15.0107 15.0107 17.5410 17.5410 18.4406 18.4406 20.5932 20.5932 20.7810 20.7810 23.7136 23.7136 28.7937 28.7937 k = 0.4127 0.2383-0.0000 ( 911 PWs) bands (ev): -53.9253 -53.9253 -26.2586 -26.2586 -22.9572 -22.9572 -22.7773 -22.7773 7.6894 7.6894 12.3039 12.3039 14.9255 14.9255 14.9875 14.9875 17.5989 17.5989 18.4347 18.4347 20.5611 20.5611 20.7720 20.7720 23.7468 23.7468 28.7920 28.7920 k = 0.4206 0.2429-0.0000 ( 911 PWs) bands (ev): -53.9247 -53.9247 -26.2602 -26.2602 -22.9601 -22.9601 -22.7783 -22.7783 7.7364 7.7364 12.2700 12.2700 14.9069 14.9069 14.9662 14.9662 17.6538 17.6538 18.4291 18.4291 20.5254 20.5254 20.7695 20.7695 23.7770 23.7770 28.7896 28.7896 k = 0.4286 0.2474-0.0000 ( 911 PWs) bands (ev): -53.9242 -53.9242 -26.2616 -26.2616 -22.9627 -22.9627 -22.7791 -22.7791 7.7800 7.7800 12.2387 12.2387 14.8893 14.8893 14.9469 14.9469 17.7054 17.7054 18.4241 18.4241 20.4889 20.4889 20.7712 20.7712 23.8042 23.8042 28.7869 28.7869 k = 0.4365 0.2520-0.0000 ( 907 PWs) bands (ev): -53.9238 -53.9238 -26.2629 -26.2629 -22.9651 -22.9651 -22.7799 -22.7799 7.8198 7.8198 12.2102 12.2102 14.8730 14.8730 14.9294 14.9294 17.7532 17.7532 18.4197 18.4197 20.4532 20.4532 20.7755 20.7755 23.8285 23.8285 28.7840 28.7840 k = 0.4444 0.2566-0.0000 ( 909 PWs) bands (ev): -53.9234 -53.9234 -26.2640 -26.2640 -22.9672 -22.9672 -22.7805 -22.7805 7.8556 7.8556 12.1846 12.1846 14.8582 14.8582 14.9136 14.9136 17.7968 17.7968 18.4156 18.4156 20.4194 20.4194 20.7810 20.7810 23.8497 23.8497 28.7811 28.7811 k = 0.4524 0.2612-0.0000 ( 909 PWs) bands (ev): -53.9230 -53.9230 -26.2650 -26.2650 -22.9691 -22.9691 -22.7811 -22.7811 7.8872 7.8872 12.1621 12.1621 14.8451 14.8451 14.8997 14.8997 17.8358 17.8358 18.4121 18.4121 20.3886 20.3886 20.7870 20.7870 23.8682 23.8682 28.7782 28.7782 k = 0.4603 0.2658-0.0000 ( 909 PWs) bands (ev): -53.9227 -53.9227 -26.2659 -26.2659 -22.9707 -22.9707 -22.7816 -22.7816 7.9144 7.9144 12.1428 12.1428 14.8339 14.8339 14.8878 14.8878 17.8697 17.8697 18.4092 18.4092 20.3613 20.3613 20.7929 20.7929 23.8837 23.8837 28.7756 28.7756 k = 0.4683 0.2703-0.0000 ( 905 PWs) bands (ev): -53.9225 -53.9225 -26.2666 -26.2666 -22.9720 -22.9720 -22.7819 -22.7819 7.9369 7.9369 12.1268 12.1268 14.8247 14.8247 14.8780 14.8780 17.8982 17.8982 18.4068 18.4068 20.3383 20.3383 20.7983 20.7983 23.8965 23.8965 28.7732 28.7732 k = 0.4762 0.2749-0.0000 ( 905 PWs) bands (ev): -53.9223 -53.9223 -26.2671 -26.2671 -22.9730 -22.9730 -22.7822 -22.7822 7.9547 7.9547 12.1142 12.1142 14.8174 14.8174 14.8702 14.8702 17.9207 17.9207 18.4049 18.4049 20.3198 20.3198 20.8028 20.8028 23.9063 23.9063 28.7713 28.7713 k = 0.4841 0.2795-0.0000 ( 905 PWs) bands (ev): -53.9221 -53.9221 -26.2675 -26.2675 -22.9737 -22.9737 -22.7824 -22.7824 7.9674 7.9674 12.1052 12.1052 14.8122 14.8122 14.8646 14.8646 17.9371 17.9371 18.4036 18.4036 20.3063 20.3063 20.8062 20.8062 23.9134 23.9134 28.7699 28.7699 k = 0.4921 0.2841-0.0000 ( 902 PWs) bands (ev): -53.9220 -53.9220 -26.2677 -26.2677 -22.9742 -22.9742 -22.7825 -22.7825 7.9751 7.9751 12.0998 12.0998 14.8091 14.8091 14.8613 14.8613 17.9470 17.9470 18.4028 18.4028 20.2981 20.2981 20.8084 20.8084 23.9176 23.9176 28.7690 28.7690 k = 0.5000 0.2887-0.0000 ( 898 PWs) bands (ev): -53.9220 -53.9220 -26.2678 -26.2678 -22.9743 -22.9743 -22.7826 -22.7826 7.9777 7.9777 12.0980 12.0980 14.8082 14.8082 14.8602 14.8602 17.9504 17.9504 18.4025 18.4025 20.2954 20.2954 20.8091 20.8091 23.9191 23.9191 28.7687 28.7687 k = 0.5000 0.2887-0.0000 ( 898 PWs) bands (ev): -53.9220 -53.9220 -26.2678 -26.2678 -22.9743 -22.9743 -22.7826 -22.7826 7.9777 7.9777 12.0980 12.0980 14.8082 14.8082 14.8602 14.8602 17.9504 17.9504 18.4025 18.4025 20.2954 20.2954 20.8091 20.8091 23.9191 23.9191 28.7687 28.7687 k = 0.4955 0.2965-0.0000 ( 906 PWs) bands (ev): -53.9220 -53.9220 -26.2681 -26.2676 -22.9745 -22.9741 -22.7829 -22.7825 7.9764 7.9804 12.0982 12.0991 14.8058 14.8106 14.8598 14.8601 17.9477 17.9524 18.3981 18.4029 20.2930 20.2931 20.8032 20.8125 23.9186 23.9238 28.7699 28.7758 k = 0.4910 0.3043-0.0000 ( 910 PWs) bands (ev): -53.9220 -53.9220 -26.2684 -26.2674 -22.9745 -22.9737 -22.7836 -22.7828 7.9764 7.9844 12.0998 12.1017 14.8038 14.8134 14.8594 14.8599 17.9445 17.9539 18.3899 18.3996 20.2861 20.2864 20.7949 20.8135 23.9225 23.9329 28.7792 28.7910 k = 0.4865 0.3121-0.0000 ( 910 PWs) bands (ev): -53.9219 -53.9219 -26.2688 -26.2672 -22.9744 -22.9733 -22.7844 -22.7832 7.9779 7.9899 12.1029 12.1057 14.8021 14.8167 14.8590 14.8597 17.9408 17.9549 18.3780 18.3925 20.2748 20.2754 20.7845 20.8121 23.9307 23.9463 28.7967 28.8143 k = 0.4820 0.3199-0.0000 ( 910 PWs) bands (ev): -53.9219 -53.9219 -26.2692 -26.2671 -22.9741 -22.9726 -22.7856 -22.7840 7.9807 7.9967 12.1074 12.1111 14.8005 14.8202 14.8585 14.8593 17.9366 17.9555 18.3625 18.3817 20.2591 20.2601 20.7718 20.8082 23.9431 23.9638 28.8223 28.8456 k = 0.4775 0.3277-0.0000 ( 906 PWs) bands (ev): -53.9218 -53.9218 -26.2696 -26.2670 -22.9738 -22.9719 -22.7869 -22.7850 7.9848 8.0048 12.1133 12.1180 14.7989 14.8239 14.8581 14.8590 17.9320 17.9558 18.3436 18.3673 20.2393 20.2409 20.7570 20.8018 23.9595 23.9853 28.8558 28.8845 k = 0.4730 0.3355-0.0000 ( 906 PWs) bands (ev): -53.9217 -53.9217 -26.2700 -26.2669 -22.9733 -22.9711 -22.7886 -22.7863 7.9903 8.0142 12.1206 12.1262 14.7971 14.8274 14.8577 14.8585 17.9270 17.9559 18.3215 18.3495 20.2155 20.2180 20.7401 20.7929 23.9799 24.0104 28.8971 28.9309 k = 0.4685 0.3433-0.0000 ( 910 PWs) bands (ev): -53.9216 -53.9216 -26.2705 -26.2669 -22.9728 -22.9702 -22.7905 -22.7878 7.9970 8.0248 12.1293 12.1357 14.7948 14.8302 14.8575 14.8585 17.9217 17.9558 18.2963 18.3284 20.1881 20.1915 20.7209 20.7814 24.0038 24.0390 28.9458 28.9844 k = 0.4640 0.3511-0.0000 ( 910 PWs) bands (ev): -53.9215 -53.9215 -26.2710 -26.2669 -22.9721 -22.9691 -22.7926 -22.7896 8.0050 8.0367 12.1394 12.1466 14.7919 14.8318 14.8576 14.8595 17.9164 17.9559 18.2687 18.3046 20.1573 20.1619 20.6997 20.7674 24.0311 24.0709 29.0016 29.0448 k = 0.4595 0.3589-0.0000 ( 910 PWs) bands (ev): -53.9213 -53.9213 -26.2715 -26.2670 -22.9713 -22.9679 -22.7950 -22.7916 8.0141 8.0496 12.1508 12.1589 14.7879 14.8313 14.8581 14.8622 17.9110 17.9562 18.2387 18.2780 20.1237 20.1296 20.6764 20.7510 24.0615 24.1056 29.0645 29.1118 k = 0.4550 0.3667-0.0000 ( 910 PWs) bands (ev): -53.9212 -53.9212 -26.2721 -26.2671 -22.9704 -22.9666 -22.7976 -22.7939 8.0243 8.0637 12.1636 12.1724 14.7828 14.8284 14.8592 14.8666 17.9056 17.9570 18.2068 18.2489 20.0876 20.0948 20.6510 20.7321 24.0947 24.1430 29.1339 29.1849 k = 0.4505 0.3745-0.0000 ( 910 PWs) bands (ev): -53.9210 -53.9210 -26.2726 -26.2672 -22.9694 -22.9652 -22.8003 -22.7964 8.0356 8.0788 12.1777 12.1872 14.7761 14.8235 14.8608 14.8722 17.9004 17.9585 18.1733 18.2178 20.0493 20.0580 20.6235 20.7110 24.1303 24.1826 29.2096 29.2640 k = 0.4459 0.3823-0.0000 ( 910 PWs) bands (ev): -53.9208 -53.9208 -26.2732 -26.2673 -22.9683 -22.9637 -22.8033 -22.7991 8.0479 8.0948 12.1932 12.2033 14.7677 14.8168 14.8631 14.8787 17.8952 17.9609 18.1388 18.1848 20.0094 20.0195 20.5940 20.6875 24.1681 24.2242 29.2912 29.3485 k = 0.4414 0.3901-0.0000 ( 910 PWs) bands (ev): -53.9206 -53.9206 -26.2738 -26.2675 -22.9670 -22.9620 -22.8065 -22.8020 8.0611 8.1117 12.2098 12.2205 14.7575 14.8082 14.8659 14.8859 17.8899 17.9644 18.1043 18.1503 19.9681 19.9796 20.5625 20.6618 24.2076 24.2673 29.3783 29.4381 k = 0.4369 0.3979-0.0000 ( 910 PWs) bands (ev): -53.9204 -53.9204 -26.2745 -26.2677 -22.9657 -22.9603 -22.8098 -22.8051 8.0752 8.1294 12.2277 12.2389 14.7453 14.7979 14.8693 14.8935 17.8840 17.9693 18.0705 18.1147 19.9259 19.9387 20.5291 20.6341 24.2486 24.3116 29.4706 29.5325 k = 0.4324 0.4057-0.0000 ( 908 PWs) bands (ev): -53.9202 -53.9202 -26.2751 -26.2679 -22.9643 -22.9585 -22.8133 -22.8083 8.0900 8.1478 12.2467 12.2583 14.7311 14.7858 14.8732 14.9014 17.8765 17.9757 18.0390 18.0782 19.8831 19.8971 20.4937 20.6044 24.2905 24.3568 29.5677 29.6313 k = 0.4279 0.4135-0.0000 ( 908 PWs) bands (ev): -53.9200 -53.9200 -26.2758 -26.2681 -22.9628 -22.9565 -22.8169 -22.8118 8.1055 8.1667 12.2668 12.2788 14.7147 14.7718 14.8775 14.9096 17.8656 17.9838 18.0121 18.0413 19.8402 19.8553 20.4565 20.5727 24.3333 24.4025 29.6692 29.7340 k = 0.4234 0.4213-0.0000 ( 910 PWs) bands (ev): -53.9198 -53.9198 -26.2764 -26.2684 -22.9612 -22.9545 -22.8207 -22.8154 8.1215 8.1861 12.2879 12.3002 14.6962 14.7559 14.8820 14.9179 17.8492 17.9919 17.9924 18.0060 19.7974 19.8134 20.4174 20.5393 24.3763 24.4484 29.7749 29.8405 k = 0.4189 0.4291-0.0000 ( 910 PWs) bands (ev): -53.9195 -53.9195 -26.2771 -26.2687 -22.9595 -22.9524 -22.8245 -22.8192 8.1380 8.2060 12.3100 12.3225 14.6756 14.7380 14.8867 14.9262 17.8262 17.9651 17.9815 18.0081 19.7550 19.7719 20.3767 20.5044 24.4194 24.4942 29.8842 29.9502 k = 0.4144 0.4369-0.0000 ( 910 PWs) bands (ev): -53.9193 -53.9193 -26.2778 -26.2690 -22.9577 -22.9501 -22.8285 -22.8230 8.1548 8.2260 12.3330 12.3455 14.6529 14.7182 14.8916 14.9345 17.7977 17.9284 17.9787 18.0226 19.7135 19.7310 20.3344 20.4679 24.4623 24.5395 29.9970 30.0629 k = 0.4099 0.4447-0.0000 ( 914 PWs) bands (ev): -53.9191 -53.9191 -26.2784 -26.2694 -22.9559 -22.9478 -22.8325 -22.8270 8.1719 8.2463 12.3567 12.3692 14.6281 14.6965 14.8964 14.9426 17.7656 17.8918 17.9823 18.0398 19.6728 19.6909 20.2907 20.4302 24.5046 24.5841 30.1127 30.1782 k = 0.4054 0.4525-0.0000 ( 914 PWs) bands (ev): -53.9189 -53.9189 -26.2791 -26.2697 -22.9540 -22.9454 -22.8365 -22.8311 8.1891 8.2665 12.3810 12.3934 14.6015 14.6730 14.9012 14.9507 17.7319 17.8562 17.9910 18.0596 19.6336 19.6520 20.2456 20.3914 24.5460 24.6276 30.2311 30.2957 k = 0.4009 0.4603-0.0000 ( 914 PWs) bands (ev): -53.9186 -53.9186 -26.2797 -26.2700 -22.9520 -22.9429 -22.8406 -22.8353 8.2064 8.2867 12.4058 12.4180 14.5731 14.6479 14.9060 14.9585 17.6978 17.8216 18.0035 18.0821 19.5959 19.6144 20.1994 20.3517 24.5863 24.6699 30.3517 30.4150 k = 0.3964 0.4681-0.0000 ( 914 PWs) bands (ev): -53.9184 -53.9184 -26.2804 -26.2704 -22.9500 -22.9404 -22.8447 -22.8395 8.2235 8.3066 12.4310 12.4428 14.5432 14.6214 14.9106 14.9660 17.6641 17.7882 18.0194 18.1071 19.5598 19.5783 20.1521 20.3114 24.6251 24.7106 30.4743 30.5357 k = 0.3919 0.4759-0.0000 ( 914 PWs) bands (ev): -53.9182 -53.9182 -26.2810 -26.2707 -22.9479 -22.9377 -22.8488 -22.8438 8.2404 8.3262 12.4563 12.4676 14.5121 14.5936 14.9149 14.9731 17.6313 17.7564 18.0381 18.1346 19.5257 19.5440 20.1041 20.2707 24.6623 24.7494 30.5984 30.6574 k = 0.3874 0.4837-0.0000 ( 914 PWs) bands (ev): -53.9180 -53.9180 -26.2816 -26.2711 -22.9458 -22.9350 -22.8529 -22.8481 8.2569 8.3452 12.4815 12.4923 14.4801 14.5649 14.9190 14.9798 17.6000 17.7263 18.0592 18.1643 19.4935 19.5115 20.0557 20.2299 24.6977 24.7863 30.7234 30.7796 k = 0.3829 0.4915-0.0000 ( 918 PWs) bands (ev): -53.9178 -53.9178 -26.2822 -26.2715 -22.9437 -22.9322 -22.8569 -22.8524 8.2730 8.3636 12.5064 12.5165 14.4475 14.5357 14.9228 14.9860 17.5703 17.6980 18.0822 18.1961 19.4634 19.4810 20.0069 20.1893 24.7309 24.8208 30.8490 30.9017 k = 0.3784 0.4993-0.0000 ( 914 PWs) bands (ev): -53.9176 -53.9176 -26.2827 -26.2718 -22.9416 -22.9293 -22.8607 -22.8567 8.2884 8.3812 12.5308 12.5401 14.4151 14.5064 14.9262 14.9917 17.5426 17.6718 18.1070 18.2297 19.4357 19.4527 19.9584 20.1495 24.7618 24.8530 30.9745 31.0231 k = 0.3739 0.5071-0.0000 ( 914 PWs) bands (ev): -53.9174 -53.9174 -26.2832 -26.2721 -22.9395 -22.9264 -22.8645 -22.8610 8.3030 8.3979 12.5543 12.5627 14.3830 14.4775 14.9292 14.9968 17.5171 17.6478 18.1328 18.2645 19.4102 19.4265 19.9105 20.1107 24.7904 24.8827 31.0994 31.1430 k = 0.3694 0.5149-0.0000 ( 910 PWs) bands (ev): -53.9172 -53.9172 -26.2837 -26.2724 -22.9374 -22.9234 -22.8680 -22.8653 8.3167 8.4135 12.5766 12.5841 14.3520 14.4495 14.9318 15.0013 17.4940 17.6261 18.1592 18.3002 19.3872 19.4027 19.8638 20.0735 24.8163 24.9095 31.2225 31.2604 k = 0.3649 0.5227-0.0000 ( 910 PWs) bands (ev): -53.9170 -53.9170 -26.2841 -26.2727 -22.9354 -22.9203 -22.8714 -22.8695 8.3294 8.4278 12.5974 12.6040 14.3225 14.4229 14.9340 15.0051 17.4734 17.6069 18.1855 18.3359 19.3666 19.3813 19.8188 20.0382 24.8394 24.9336 31.3430 31.3740 k = 0.3604 0.5305-0.0000 ( 910 PWs) bands (ev): -53.9169 -53.9169 -26.2845 -26.2729 -22.9335 -22.9172 -22.8746 -22.8736 8.3408 8.4407 12.6163 12.6219 14.2952 14.3982 14.9358 15.0084 17.4555 17.5901 18.2109 18.3708 19.3485 19.3625 19.7763 20.0057 24.8598 24.9546 31.4592 31.4822 k = 0.3559 0.5383-0.0000 ( 914 PWs) bands (ev): -53.9168 -53.9168 -26.2849 -26.2732 -22.9318 -22.9141 -22.8777 -22.8774 8.3509 8.4521 12.6329 12.6377 14.2708 14.3760 14.9371 15.0110 17.4401 17.5757 18.2347 18.4040 19.3329 19.3463 19.7373 19.9763 24.8771 24.9725 31.5692 31.5829 k = 0.3514 0.5461-0.0000 ( 914 PWs) bands (ev): -53.9167 -53.9167 -26.2852 -26.2734 -22.9303 -22.9109 -22.8816 -22.8798 8.3595 8.4617 12.6470 12.6510 14.2497 14.3569 14.9381 15.0130 17.4276 17.5640 18.2561 18.4341 19.3200 19.3328 19.7028 19.9510 24.8914 24.9873 31.6701 31.6734 k = 0.3468 0.5539-0.0000 ( 918 PWs) bands (ev): -53.9166 -53.9166 -26.2855 -26.2736 -22.9290 -22.9078 -22.8854 -22.8818 8.3664 8.4695 12.6582 12.6615 14.2326 14.3414 14.9387 15.0144 17.4177 17.5549 18.2741 18.4600 19.3097 19.3222 19.6740 19.9302 24.9025 24.9987 31.7503 31.7579 k = 0.3423 0.5617-0.0000 ( 918 PWs) bands (ev): -53.9165 -53.9165 -26.2856 -26.2737 -22.9280 -22.9047 -22.8890 -22.8833 8.3715 8.4752 12.6663 12.6691 14.2200 14.3300 14.9391 15.0154 17.4108 17.5484 18.2879 18.4800 19.3023 19.3145 19.6521 19.9147 24.9105 25.0071 31.8096 31.8275 k = 0.3378 0.5695-0.0000 ( 922 PWs) bands (ev): -53.9165 -53.9165 -26.2857 -26.2738 -22.9275 -22.9019 -22.8920 -22.8842 8.3747 8.4787 12.6711 12.6736 14.2122 14.3229 14.9393 15.0159 17.4067 17.5446 18.2966 18.4929 19.2977 19.3099 19.6383 19.9050 24.9154 25.0121 31.8470 31.8726 k = 0.3333 0.5774-0.0000 ( 924 PWs) bands (ev): -53.9165 -53.9165 -26.2858 -26.2738 -22.9273 -22.9006 -22.8935 -22.8845 8.3758 8.4799 12.6727 12.6751 14.2096 14.3205 14.9394 15.0161 17.4054 17.5433 18.2996 18.4973 19.2962 19.3083 19.6335 19.9017 24.9170 25.0137 31.8598 31.8883 k = 0.3333 0.5774-0.0000 ( 924 PWs) bands (ev): -53.9165 -53.9165 -26.2858 -26.2738 -22.9273 -22.9006 -22.8935 -22.8845 8.3758 8.4799 12.6727 12.6751 14.2096 14.3205 14.9394 15.0161 17.4054 17.5433 18.2996 18.4973 19.2962 19.3083 19.6335 19.9017 24.9170 25.0137 31.8598 31.8883 k = 0.3288 0.5694-0.0000 ( 920 PWs) bands (ev): -53.9165 -53.9165 -26.2857 -26.2738 -22.9275 -22.9019 -22.8920 -22.8842 8.3746 8.4787 12.6712 12.6737 14.2123 14.3230 14.9394 15.0160 17.4067 17.5446 18.2965 18.4926 19.2978 19.3099 19.6386 19.9053 24.9153 25.0120 31.8469 31.8725 k = 0.3242 0.5615-0.0000 ( 920 PWs) bands (ev): -53.9165 -53.9165 -26.2856 -26.2737 -22.9280 -22.9045 -22.8891 -22.8834 8.3710 8.4747 12.6666 12.6693 14.2205 14.3305 14.9394 15.0156 17.4108 17.5484 18.2865 18.4782 19.3024 19.3146 19.6535 19.9157 24.9103 25.0069 31.8095 31.8274 k = 0.3196 0.5536-0.0000 ( 920 PWs) bands (ev): -53.9166 -53.9166 -26.2854 -26.2735 -22.9287 -22.9073 -22.8858 -22.8820 8.3649 8.4678 12.6592 12.6624 14.2339 14.3428 14.9395 15.0153 17.4174 17.5546 18.2699 18.4545 19.3100 19.3222 19.6779 19.9330 24.9020 24.9983 31.7514 31.7594 k = 0.3151 0.5457-0.0000 ( 920 PWs) bands (ev): -53.9167 -53.9167 -26.2851 -26.2733 -22.9297 -22.9101 -22.8823 -22.8802 8.3560 8.4581 12.6497 12.6533 14.2523 14.3598 14.9399 15.0149 17.4266 17.5632 18.2469 18.4224 19.3205 19.3327 19.7108 19.9569 24.8903 24.9863 31.6749 31.6774 k = 0.3105 0.5378-0.0000 ( 916 PWs) bands (ev): -53.9168 -53.9168 -26.2847 -26.2730 -22.9307 -22.9126 -22.8787 -22.8781 8.3443 8.4452 12.6384 12.6425 14.2754 14.3812 14.9407 15.0148 17.4381 17.5741 18.2179 18.3829 19.3337 19.3460 19.7512 19.9870 24.8755 24.9711 31.5793 31.5916 k = 0.3059 0.5299-0.0000 ( 916 PWs) bands (ev): -53.9170 -53.9170 -26.2843 -26.2726 -22.9317 -22.9150 -22.8757 -22.8751 8.3298 8.4292 12.6260 12.6305 14.3027 14.4065 14.9419 15.0150 17.4518 17.5869 18.1834 18.3373 19.3494 19.3617 19.7977 20.0225 24.8573 24.9524 31.4765 31.4974 k = 0.3014 0.5220-0.0000 ( 916 PWs) bands (ev): -53.9172 -53.9172 -26.2837 -26.2722 -22.9327 -22.9172 -22.8731 -22.8715 8.3122 8.4100 12.6129 12.6177 14.3337 14.4355 14.9437 15.0155 17.4674 17.6017 18.1442 18.2865 19.3678 19.3799 19.8490 20.0628 24.8359 24.9303 31.3694 31.3977 k = 0.2968 0.5141-0.0000 ( 912 PWs) bands (ev): -53.9174 -53.9174 -26.2830 -26.2716 -22.9336 -22.9192 -22.8703 -22.8678 8.2916 8.3875 12.5998 12.6048 14.3680 14.4677 14.9463 15.0168 17.4850 17.6184 18.1008 18.2316 19.3886 19.4004 19.9042 20.1071 24.8114 24.9052 31.2600 31.2945 k = 0.2922 0.5062-0.0000 ( 908 PWs) bands (ev): -53.9177 -53.9177 -26.2822 -26.2710 -22.9344 -22.9210 -22.8673 -22.8640 8.2679 8.3616 12.5871 12.5922 14.4051 14.5026 14.9497 15.0186 17.5042 17.6367 18.0539 18.1736 19.4119 19.4232 19.9621 20.1547 24.7838 24.8768 31.1498 31.1896 k = 0.2877 0.4983-0.0000 ( 912 PWs) bands (ev): -53.9180 -53.9180 -26.2813 -26.2703 -22.9350 -22.9225 -22.8642 -22.8603 8.2410 8.3324 12.5754 12.5803 14.4444 14.5397 14.9540 15.0212 17.5245 17.6563 18.0044 18.1131 19.4375 19.4482 20.0218 20.2047 24.7530 24.8452 31.0400 31.0841 k = 0.2831 0.4904-0.0000 ( 912 PWs) bands (ev): -53.9184 -53.9184 -26.2804 -26.2695 -22.9355 -22.9238 -22.8611 -22.8566 8.2109 8.2999 12.5650 12.5697 14.4856 14.5787 14.9594 15.0248 17.5456 17.6768 17.9530 18.0510 19.4656 19.4754 20.0827 20.2568 24.7192 24.8105 30.9314 30.9791 k = 0.2785 0.4824-0.0000 ( 912 PWs) bands (ev): -53.9188 -53.9188 -26.2793 -26.2686 -22.9357 -22.9249 -22.8578 -22.8528 8.1778 8.2640 12.5565 12.5606 14.5280 14.6191 14.9660 15.0294 17.5668 17.6978 17.9008 17.9884 19.4961 19.5046 20.1441 20.3101 24.6824 24.7728 30.8247 30.8753 k = 0.2740 0.4745-0.0000 ( 906 PWs) bands (ev): -53.9192 -53.9192 -26.2781 -26.2676 -22.9358 -22.9257 -22.8545 -22.8490 8.1415 8.2249 12.5500 12.5535 14.5714 14.6605 14.9740 15.0353 17.5866 17.7177 17.8498 17.9270 19.5289 19.5360 20.2056 20.3642 24.6428 24.7321 30.7206 30.7735 k = 0.2694 0.4666-0.0000 ( 906 PWs) bands (ev): -53.9196 -53.9196 -26.2768 -26.2665 -22.9356 -22.9263 -22.8511 -22.8452 8.1022 8.1826 12.5457 12.5484 14.6152 14.7024 14.9833 15.0424 17.6015 17.7317 17.8032 17.8715 19.5639 19.5694 20.2666 20.4186 24.6002 24.6885 30.6192 30.6741 k = 0.2648 0.4587-0.0000 ( 910 PWs) bands (ev): -53.9201 -53.9201 -26.2754 -26.2654 -22.9353 -22.9266 -22.8476 -22.8414 8.0598 8.1373 12.5441 12.5458 14.6591 14.7446 14.9942 15.0507 17.6039 17.7244 17.7689 17.8377 19.6011 19.6047 20.3267 20.4728 24.5548 24.6420 30.5210 30.5773 k = 0.2603 0.4508-0.0000 ( 910 PWs) bands (ev): -53.9207 -53.9207 -26.2739 -26.2641 -22.9347 -22.9267 -22.8441 -22.8376 8.0147 8.0889 12.5451 12.5458 14.7025 14.7865 15.0068 15.0607 17.5838 17.6823 17.7575 17.8392 19.6405 19.6420 20.3858 20.5267 24.5068 24.5927 30.4263 30.4837 k = 0.2557 0.4429-0.0000 ( 906 PWs) bands (ev): -53.9212 -53.9212 -26.2722 -26.2627 -22.9338 -22.9265 -22.8405 -22.8337 7.9667 8.0378 12.5484 12.5489 14.7452 14.8279 15.0212 15.0721 17.5428 17.6231 17.7673 17.8587 19.6812 19.6820 20.4438 20.5799 24.4561 24.5408 30.3351 30.3932 k = 0.2511 0.4350-0.0000 ( 906 PWs) bands (ev): -53.9219 -53.9219 -26.2705 -26.2612 -22.9328 -22.9261 -22.8369 -22.8299 7.9161 7.9840 12.5539 12.5556 14.7868 14.8683 15.0375 15.0852 17.4908 17.5585 17.7883 17.8840 19.7221 19.7256 20.5004 20.6324 24.4027 24.4862 30.2474 30.3060 k = 0.2466 0.4271-0.0000 ( 906 PWs) bands (ev): -53.9225 -53.9225 -26.2686 -26.2597 -22.9315 -22.9254 -22.8333 -22.8260 7.8630 7.9276 12.5623 12.5652 14.8269 14.9076 15.0558 15.1000 17.4340 17.4921 17.8146 17.9119 19.7648 19.7711 20.5555 20.6839 24.3468 24.4289 30.1633 30.2221 k = 0.2420 0.4192-0.0000 ( 906 PWs) bands (ev): -53.9232 -53.9232 -26.2667 -26.2580 -22.9301 -22.9246 -22.8296 -22.8221 7.8075 7.8690 12.5736 12.5778 14.8652 14.9452 15.0760 15.1166 17.3749 17.4252 17.8436 17.9410 19.8092 19.8184 20.6092 20.7345 24.2883 24.3691 30.0828 30.1415 k = 0.2374 0.4113-0.0000 ( 908 PWs) bands (ev): -53.9239 -53.9239 -26.2647 -26.2563 -22.9284 -22.9235 -22.8259 -22.8182 7.7498 7.8081 12.5878 12.5933 14.9016 14.9810 15.0983 15.1351 17.3147 17.3580 17.8741 17.9710 19.8552 19.8676 20.6614 20.7841 24.2274 24.3068 30.0055 30.0639 k = 0.2329 0.4034-0.0000 ( 904 PWs) bands (ev): -53.9247 -53.9247 -26.2625 -26.2544 -22.9265 -22.9221 -22.8221 -22.8143 7.6901 7.7453 12.6049 12.6117 14.9359 15.0146 15.1226 15.1556 17.2542 17.2912 17.9058 18.0016 19.9027 19.9186 20.7124 20.8329 24.1641 24.2421 29.9313 29.9893 k = 0.2283 0.3954-0.0000 ( 904 PWs) bands (ev): -53.9255 -53.9255 -26.2603 -26.2524 -22.9244 -22.9206 -22.8182 -22.8103 7.6286 7.6807 12.6250 12.6330 14.9680 15.0458 15.1485 15.1780 17.1935 17.2247 17.9380 18.0325 19.9518 19.9712 20.7622 20.8808 24.0984 24.1749 29.8599 29.9173 k = 0.2237 0.3875-0.0000 ( 904 PWs) bands (ev): -53.9263 -53.9263 -26.2579 -26.2504 -22.9221 -22.9189 -22.8143 -22.8064 7.5654 7.6145 12.6478 12.6570 14.9979 15.0743 15.1761 15.2024 17.1330 17.1588 17.9706 18.0637 20.0022 20.0254 20.8109 20.9282 24.0304 24.1054 29.7911 29.8476 k = 0.2192 0.3796-0.0000 ( 900 PWs) bands (ev): -53.9271 -53.9271 -26.2555 -26.2482 -22.9197 -22.9169 -22.8104 -22.8023 7.5008 7.5469 12.6734 12.6838 15.0256 15.0998 15.2052 15.2291 17.0728 17.0935 18.0035 18.0949 20.0541 20.0812 20.8589 20.9751 23.9603 24.0337 29.7244 29.7799 k = 0.2146 0.3717-0.0000 ( 894 PWs) bands (ev): -53.9280 -53.9280 -26.2529 -26.2460 -22.9171 -22.9148 -22.8063 -22.7983 7.4348 7.4781 12.7018 12.7132 15.0509 15.1223 15.2357 15.2578 17.0131 17.0289 18.0364 18.1262 20.1074 20.1385 20.9065 21.0219 23.8880 23.9599 29.6594 29.7138 k = 0.2100 0.3638-0.0000 ( 894 PWs) bands (ev): -53.9289 -53.9289 -26.2504 -26.2437 -22.9144 -22.9125 -22.8023 -22.7942 7.3677 7.4083 12.7327 12.7451 15.0738 15.1415 15.2675 15.2887 16.9538 16.9649 18.0692 18.1572 20.1619 20.1971 20.9536 21.0685 23.8133 23.8837 29.5957 29.6488 k = 0.2055 0.3559-0.0000 ( 894 PWs) bands (ev): -53.9298 -53.9298 -26.2477 -26.2414 -22.9115 -22.9100 -22.7981 -22.7901 7.2996 7.3376 12.7661 12.7795 15.0939 15.1573 15.3009 15.3217 16.8951 16.9016 18.1019 18.1881 20.2177 20.2571 21.0006 21.1153 23.7366 23.8053 29.5328 29.5845 k = 0.2009 0.3480-0.0000 ( 898 PWs) bands (ev): -53.9308 -53.9308 -26.2450 -26.2389 -22.9086 -22.9075 -22.7939 -22.7859 7.2307 7.2662 12.8019 12.8161 15.1110 15.1695 15.3360 15.3569 16.8368 16.8391 18.1343 18.2187 20.2748 20.3184 21.0478 21.1624 23.6577 23.7249 29.4702 29.5205 k = 0.1963 0.3401-0.0000 ( 898 PWs) bands (ev): -53.9318 -53.9318 -26.2422 -26.2364 -22.9055 -22.9048 -22.7896 -22.7817 7.1613 7.1943 12.8400 12.8549 15.1251 15.1785 15.3730 15.3943 16.7773 16.7792 18.1664 18.2490 20.3332 20.3809 21.0955 21.2101 23.5769 23.6424 29.4076 29.4564 k = 0.1918 0.3322-0.0000 ( 898 PWs) bands (ev): -53.9328 -53.9328 -26.2393 -26.2339 -22.9023 -22.9020 -22.7853 -22.7774 7.0914 7.1221 12.8803 12.8959 15.1358 15.1841 15.4121 15.4340 16.7163 16.7220 18.1981 18.2788 20.3929 20.4446 21.1437 21.2586 23.4941 23.5579 29.3446 29.3917 k = 0.1872 0.3243-0.0000 ( 900 PWs) bands (ev): -53.9338 -53.9338 -26.2364 -26.2313 -22.8991 -22.8991 -22.7808 -22.7731 7.0212 7.0497 12.9227 12.9388 15.1432 15.1863 15.4535 15.4758 16.6559 16.6653 18.2294 18.3082 20.4538 20.5094 21.1929 21.3078 23.4093 23.4715 29.2805 29.3260 k = 0.1826 0.3164-0.0000 ( 901 PWs) bands (ev): -53.9349 -53.9349 -26.2335 -26.2286 -22.8961 -22.8959 -22.7763 -22.7687 6.9508 6.9772 12.9670 12.9836 15.1471 15.1853 15.4972 15.5199 16.5962 16.6090 18.2601 18.3370 20.5162 20.5754 21.2429 21.3581 23.3226 23.3832 29.2152 29.2590 k = 0.1781 0.3084-0.0000 ( 905 PWs) bands (ev): -53.9360 -53.9360 -26.2305 -26.2259 -22.8930 -22.8926 -22.7717 -22.7643 6.8804 6.9049 13.0131 13.0300 15.1478 15.1812 15.5431 15.5660 16.5371 16.5531 18.2901 18.3652 20.5797 20.6424 21.2941 21.4093 23.2340 23.2930 29.1482 29.1902 k = 0.1735 0.3005-0.0000 ( 905 PWs) bands (ev): -53.9370 -53.9370 -26.2274 -26.2231 -22.8899 -22.8893 -22.7669 -22.7598 6.8103 6.8328 13.0609 13.0781 15.1453 15.1742 15.5915 15.6145 16.4786 16.4976 18.3197 18.3928 20.6447 20.7106 21.3464 21.4617 23.1437 23.2010 29.0792 29.1194 k = 0.1689 0.2926-0.0000 ( 905 PWs) bands (ev): -53.9381 -53.9381 -26.2244 -26.2203 -22.8868 -22.8859 -22.7621 -22.7552 6.7403 6.7611 13.1102 13.1276 15.1398 15.1644 15.6423 15.6652 16.4206 16.4424 18.3485 18.4198 20.7111 20.7798 21.4000 21.5151 23.0516 23.1073 29.0080 29.0464 k = 0.1644 0.2847-0.0000 ( 905 PWs) bands (ev): -53.9392 -53.9392 -26.2213 -26.2175 -22.8836 -22.8826 -22.7572 -22.7505 6.6708 6.6899 13.1610 13.1785 15.1315 15.1522 15.6955 15.7181 16.3632 16.3875 18.3766 18.4461 20.7789 20.8501 21.4548 21.5695 22.9578 23.0119 28.9343 28.9710 k = 0.1598 0.2768-0.0000 ( 905 PWs) bands (ev): -53.9404 -53.9404 -26.2182 -26.2147 -22.8805 -22.8794 -22.7522 -22.7457 6.6019 6.6194 13.2130 13.2304 15.1208 15.1378 15.7511 15.7730 16.3062 16.3329 18.4041 18.4716 20.8480 20.9214 21.5108 21.6248 22.8623 22.9149 28.8580 28.8929 k = 0.1553 0.2689-0.0000 ( 905 PWs) bands (ev): -53.9415 -53.9415 -26.2151 -26.2118 -22.8774 -22.8762 -22.7471 -22.7409 6.5336 6.5496 13.2660 13.2834 15.1077 15.1213 15.8088 15.8298 16.2497 16.2788 18.4308 18.4965 20.9184 20.9937 21.5679 21.6810 22.7653 22.8165 28.7790 28.8121 k = 0.1507 0.2610-0.0000 ( 905 PWs) bands (ev): -53.9426 -53.9426 -26.2120 -26.2089 -22.8743 -22.8730 -22.7419 -22.7360 6.4661 6.4806 13.3200 13.3372 15.0928 15.1032 15.8689 15.8884 16.1936 16.2254 18.4567 18.5205 20.9902 21.0669 21.6259 21.7377 22.6666 22.7164 28.6973 28.7286 k = 0.1461 0.2531-0.0000 ( 905 PWs) bands (ev): -53.9437 -53.9437 -26.2089 -26.2061 -22.8712 -22.8699 -22.7366 -22.7310 6.3994 6.4127 13.3747 13.3917 15.0762 15.0838 15.9313 15.9479 16.1381 16.1735 18.4817 18.5437 21.0632 21.1411 21.6848 21.7950 22.5665 22.6151 28.6128 28.6424 k = 0.1416 0.2452-0.0000 ( 913 PWs) bands (ev): -53.9448 -53.9448 -26.2058 -26.2032 -22.8682 -22.8669 -22.7313 -22.7260 6.3338 6.3458 13.4300 13.4466 15.0583 15.0632 15.9955 16.0041 16.0832 16.1271 18.5059 18.5660 21.1371 21.2159 21.7443 21.8523 22.4648 22.5125 28.5256 28.5535 k = 0.1370 0.2373-0.0000 ( 911 PWs) bands (ev): -53.9460 -53.9460 -26.2027 -26.2004 -22.8653 -22.8640 -22.7258 -22.7209 6.2692 6.2801 13.4856 13.5018 15.0394 15.0419 16.0269 16.0286 16.0643 16.1151 18.5294 18.5876 21.2124 21.2916 21.8045 21.9096 22.3619 22.4091 28.4358 28.4621 k = 0.1324 0.2294-0.0000 ( 915 PWs) bands (ev): -53.9471 -53.9471 -26.1997 -26.1975 -22.8625 -22.8612 -22.7204 -22.7158 6.2059 6.2157 13.5413 13.5570 15.0197 15.0200 15.9739 15.9936 16.1323 16.1650 18.5519 18.6082 21.2885 21.3679 21.8650 21.9657 22.2575 22.3057 28.3438 28.3684 k = 0.1279 0.2214-0.0000 ( 919 PWs) bands (ev): -53.9482 -53.9482 -26.1967 -26.1947 -22.8597 -22.8584 -22.7149 -22.7106 6.1438 6.1526 13.5968 13.6118 14.9979 14.9996 15.9206 15.9449 16.2036 16.2314 18.5736 18.6281 21.3654 21.4447 21.9253 22.0171 22.1523 22.2057 28.2495 28.2725 k = 0.1233 0.2135-0.0000 ( 919 PWs) bands (ev): -53.9493 -53.9493 -26.1937 -26.1920 -22.8570 -22.8558 -22.7093 -22.7054 6.0831 6.0910 13.6521 13.6664 14.9759 14.9795 15.8681 15.8941 16.2770 16.3025 18.5944 18.6470 21.4429 21.5220 21.9839 22.0354 22.0477 22.1375 28.1534 28.1749 k = 0.1187 0.2056-0.0000 ( 915 PWs) bands (ev): -53.9503 -53.9503 -26.1908 -26.1892 -22.8544 -22.8533 -22.7038 -22.7002 6.0238 6.0309 13.7067 13.7203 14.9545 14.9597 15.8165 15.8431 16.3526 16.3766 18.6145 18.6652 21.5207 21.5995 21.9353 21.9600 22.0491 22.1620 28.0558 28.0757 k = 0.1142 0.1977-0.0000 ( 915 PWs) bands (ev): -53.9514 -53.9514 -26.1879 -26.1865 -22.8519 -22.8508 -22.6982 -22.6950 5.9661 5.9724 13.7603 13.7730 14.9337 14.9405 15.7657 15.7926 16.4303 16.4530 18.6337 18.6825 21.5975 21.6763 21.8281 21.8575 22.1083 22.2129 27.9568 27.9752 k = 0.1096 0.1898-0.0000 ( 915 PWs) bands (ev): -53.9524 -53.9524 -26.1851 -26.1838 -22.8495 -22.8485 -22.6927 -22.6897 5.9101 5.9156 13.8126 13.8244 14.9141 14.9223 15.7160 15.7428 16.5100 16.5316 18.6520 18.6989 21.6653 21.7098 21.7594 21.7623 22.1676 22.2670 27.8568 27.8738 k = 0.1050 0.1819-0.0000 ( 915 PWs) bands (ev): -53.9534 -53.9534 -26.1824 -26.1812 -22.8472 -22.8463 -22.6872 -22.6845 5.8557 5.8605 13.8632 13.8740 14.8958 14.9053 15.6675 15.6939 16.5917 16.6124 18.6694 18.7145 21.6036 21.6221 21.7702 21.8350 22.2263 22.3213 27.7562 27.7719 k = 0.1005 0.1740-0.0000 ( 915 PWs) bands (ev): -53.9544 -53.9544 -26.1797 -26.1787 -22.8450 -22.8442 -22.6817 -22.6794 5.8031 5.8073 13.9117 13.9214 14.8795 14.8901 15.6202 15.6461 16.6754 16.6952 18.6861 18.7292 21.4920 21.5143 21.8440 21.9117 22.2840 22.3748 27.6554 27.6697 k = 0.0959 0.1661-0.0000 ( 915 PWs) bands (ev): -53.9554 -53.9554 -26.1771 -26.1762 -22.8430 -22.8423 -22.6764 -22.6743 5.7523 5.7560 13.9576 13.9661 14.8653 14.8770 15.5744 15.5996 16.7610 16.7799 18.7019 18.7431 21.3791 21.4016 21.9212 21.9881 22.3405 22.4273 27.5548 27.5678 k = 0.0913 0.1582-0.0000 ( 911 PWs) bands (ev): -53.9563 -53.9563 -26.1746 -26.1738 -22.8410 -22.8404 -22.6711 -22.6693 5.7035 5.7066 14.0006 14.0079 14.8538 14.8664 15.5301 15.5544 16.8485 16.8666 18.7169 18.7562 21.2654 21.2872 21.9987 22.0640 22.3958 22.4785 27.4547 27.4664 k = 0.0868 0.1503-0.0000 ( 911 PWs) bands (ev): -53.9572 -53.9572 -26.1722 -26.1715 -22.8392 -22.8386 -22.6659 -22.6644 5.6566 5.6593 14.0399 14.0461 14.8452 14.8586 15.4875 15.5108 16.9379 16.9552 18.7312 18.7685 21.1511 21.1720 22.0755 22.1387 22.4495 22.5280 27.3555 27.3661 k = 0.0822 0.1424-0.0000 ( 911 PWs) bands (ev): -53.9581 -53.9581 -26.1698 -26.1693 -22.8374 -22.8370 -22.6609 -22.6595 5.6117 5.6140 14.0753 14.0803 14.8399 14.8540 15.4466 15.4689 17.0291 17.0455 18.7446 18.7800 21.0359 21.0557 22.1513 22.2121 22.5015 22.5759 27.2577 27.2671 k = 0.0776 0.1345-0.0000 ( 907 PWs) bands (ev): -53.9589 -53.9589 -26.1676 -26.1671 -22.8358 -22.8354 -22.6560 -22.6549 5.5690 5.5709 14.1064 14.1104 14.8382 14.8527 15.4078 15.4290 17.1220 17.1376 18.7572 18.7907 20.9202 20.9388 22.2259 22.2841 22.5519 22.6219 27.1617 27.1699 k = 0.0731 0.1265-0.0000 ( 907 PWs) bands (ev): -53.9598 -53.9598 -26.1655 -26.1650 -22.8343 -22.8340 -22.6513 -22.6503 5.5283 5.5299 14.1329 14.1359 14.8402 14.8549 15.3709 15.3909 17.2166 17.2314 18.7691 18.8007 20.8039 20.8214 22.2988 22.3542 22.6002 22.6658 27.0678 27.0750 k = 0.0685 0.1186-0.0000 ( 907 PWs) bands (ev): -53.9605 -53.9605 -26.1634 -26.1631 -22.8329 -22.8326 -22.6468 -22.6460 5.4899 5.4912 14.1548 14.1570 14.8458 14.8604 15.3362 15.3549 17.3129 17.3268 18.7803 18.8099 20.6872 20.7035 22.3698 22.4221 22.6465 22.7076 26.9765 26.9827 k = 0.0639 0.1107-0.0000 ( 903 PWs) bands (ev): -53.9612 -53.9612 -26.1615 -26.1612 -22.8316 -22.8313 -22.6425 -22.6418 5.4537 5.4548 14.1722 14.1737 14.8547 14.8690 15.3038 15.3212 17.4108 17.4239 18.7908 18.8184 20.5702 20.5853 22.4386 22.4877 22.6906 22.7471 26.8882 26.8935 k = 0.0594 0.1028-0.0000 ( 903 PWs) bands (ev): -53.9619 -53.9619 -26.1597 -26.1595 -22.8304 -22.8302 -22.6384 -22.6378 5.4198 5.4207 14.1853 14.1863 14.8663 14.8801 15.2739 15.2899 17.5102 17.5224 18.8005 18.8262 20.4529 20.4667 22.5048 22.5505 22.7324 22.7843 26.8033 26.8078 k = 0.0548 0.0949-0.0000 ( 903 PWs) bands (ev): -53.9626 -53.9626 -26.1580 -26.1579 -22.8293 -22.8291 -22.6345 -22.6341 5.3882 5.3889 14.1947 14.1953 14.8801 14.8930 15.2466 15.2611 17.6110 17.6225 18.8095 18.8332 20.3354 20.3480 22.5682 22.6101 22.7720 22.8190 26.7223 26.7260 k = 0.0502 0.0870-0.0000 ( 903 PWs) bands (ev): -53.9632 -53.9632 -26.1565 -26.1564 -22.8283 -22.8281 -22.6309 -22.6306 5.3591 5.3596 14.2010 14.2013 14.8952 14.9070 15.2220 15.2349 17.7133 17.7239 18.8179 18.8396 20.2178 20.2292 22.6282 22.6663 22.8092 22.8513 26.6456 26.6485 k = 0.0457 0.0791-0.0000 ( 903 PWs) bands (ev): -53.9637 -53.9637 -26.1551 -26.1550 -22.8274 -22.8273 -22.6276 -22.6273 5.3323 5.3327 14.2046 14.2047 14.9107 14.9213 15.2005 15.2117 17.8170 17.8267 18.8256 18.8453 20.1002 20.1104 22.6847 22.7185 22.8440 22.8810 26.5735 26.5759 k = 0.0411 0.0712-0.0000 ( 899 PWs) bands (ev): -53.9642 -53.9642 -26.1538 -26.1537 -22.8265 -22.8265 -22.6245 -22.6243 5.3079 5.3082 14.2062 14.2063 14.9259 14.9349 15.1822 15.1917 17.9219 17.9307 18.8327 18.8504 19.9827 19.9918 22.7372 22.7665 22.8766 22.9083 26.5066 26.5084 k = 0.0365 0.0633-0.0000 ( 897 PWs) bands (ev): -53.9646 -53.9646 -26.1526 -26.1525 -22.8258 -22.8258 -22.6217 -22.6216 5.2861 5.2863 14.2064 14.2064 14.9399 14.9473 15.1673 15.1750 18.0279 18.0358 18.8391 18.8549 19.8653 19.8732 22.7853 22.8097 22.9067 22.9329 26.4454 26.4467 k = 0.0320 0.0554-0.0000 ( 895 PWs) bands (ev): -53.9650 -53.9650 -26.1515 -26.1515 -22.8252 -22.8251 -22.6193 -22.6192 5.2667 5.2669 14.2056 14.2056 14.9519 14.9576 15.1558 15.1617 18.1350 18.1420 18.8450 18.8588 19.7482 19.7550 22.8284 22.8478 22.9346 22.9551 26.3900 26.3909 k = 0.0274 0.0475-0.0000 ( 895 PWs) bands (ev): -53.9654 -53.9654 -26.1506 -26.1506 -22.8246 -22.8246 -22.6171 -22.6170 5.2499 5.2500 14.2041 14.2042 14.9615 14.9655 15.1478 15.1519 18.2429 18.2490 18.8505 18.8622 19.6315 19.6372 22.8662 22.8804 22.9599 22.9749 26.3411 26.3417 k = 0.0228 0.0395-0.0000 ( 899 PWs) bands (ev): -53.9657 -53.9657 -26.1499 -26.1499 -22.8242 -22.8241 -22.6153 -22.6152 5.2356 5.2357 14.2024 14.2024 14.9683 14.9708 15.1428 15.1453 18.3513 18.3565 18.8555 18.8652 19.5154 19.5200 22.8982 22.9076 22.9824 22.9923 26.2989 26.2992 k = 0.0183 0.0316-0.0000 ( 899 PWs) bands (ev): -53.9659 -53.9659 -26.1493 -26.1493 -22.8238 -22.8238 -22.6138 -22.6137 5.2239 5.2239 14.2006 14.2006 14.9728 14.9742 15.1403 15.1416 18.4598 18.4640 18.8605 18.8682 19.4002 19.4037 22.9241 22.9294 23.0018 23.0074 26.2638 26.2640 k = 0.0137 0.0237-0.0000 ( 899 PWs) bands (ev): -53.9661 -53.9661 -26.1488 -26.1488 -22.8235 -22.8235 -22.6126 -22.6126 5.2148 5.2148 14.1991 14.1991 14.9754 14.9759 15.1394 15.1399 18.5671 18.5702 18.8664 18.8720 19.2862 19.2887 22.9437 22.9461 23.0175 23.0200 26.2362 26.2363 k = 0.0091 0.0158-0.0000 ( 901 PWs) bands (ev): -53.9663 -53.9663 -26.1484 -26.1484 -22.8233 -22.8233 -22.6117 -22.6117 5.2083 5.2083 14.1978 14.1978 14.9765 14.9767 15.1393 15.1395 18.6694 18.6714 18.8758 18.8792 19.1745 19.1759 22.9572 22.9579 23.0289 23.0297 26.2162 26.2162 k = 0.0046 0.0079-0.0000 ( 901 PWs) bands (ev): -53.9663 -53.9663 -26.1482 -26.1482 -22.8232 -22.8232 -22.6112 -22.6112 5.2043 5.2043 14.1971 14.1971 14.9769 14.9770 15.1395 15.1396 18.7533 18.7538 18.8996 18.9007 19.0678 19.0683 22.9650 22.9651 23.0358 23.0359 26.2042 26.2042 k = 0.0000 0.0000 0.0000 ( 901 PWs) bands (ev): -53.9664 -53.9664 -26.1482 -26.1482 -22.8231 -22.8231 -22.6111 -22.6111 5.2030 5.2030 14.1968 14.1968 14.9770 14.9770 15.1396 15.1396 18.7859 18.7859 18.9448 18.9448 18.9907 18.9907 22.9675 22.9675 23.0381 23.0381 26.2001 26.2001 k = 0.0000 0.0000 0.0000 ( 901 PWs) bands (ev): -53.9664 -53.9664 -26.1482 -26.1482 -22.8231 -22.8231 -22.6111 -22.6111 5.2030 5.2030 14.1968 14.1968 14.9770 14.9770 15.1396 15.1396 18.7859 18.7859 18.9448 18.9448 18.9907 18.9907 22.9675 22.9675 23.0381 23.0381 26.2001 26.2001 k = 0.0000 0.0000 0.0092 ( 901 PWs) bands (ev): -53.9663 -53.9663 -26.1483 -26.1483 -22.8233 -22.8233 -22.6110 -22.6110 5.2046 5.2046 14.1966 14.1966 14.9760 14.9794 15.1403 15.1403 18.7830 18.7830 18.9361 18.9477 18.9890 18.9890 22.9633 22.9739 23.0391 23.0391 26.2018 26.2018 k = 0.0000 0.0000 0.0184 ( 901 PWs) bands (ev): -53.9663 -53.9663 -26.1485 -26.1485 -22.8239 -22.8239 -22.6109 -22.6109 5.2092 5.2092 14.1959 14.1959 14.9764 14.9832 15.1424 15.1424 18.7744 18.7744 18.9217 18.9448 18.9840 18.9840 22.9613 22.9825 23.0419 23.0419 26.2069 26.2069 k = 0.0000 0.0000 0.0276 ( 901 PWs) bands (ev): -53.9661 -53.9661 -26.1489 -26.1489 -22.8249 -22.8249 -22.6108 -22.6108 5.2169 5.2169 14.1947 14.1947 14.9782 14.9884 15.1458 15.1458 18.7602 18.7602 18.9016 18.9360 18.9757 18.9757 22.9614 22.9930 23.0466 23.0466 26.2153 26.2153 k = 0.0000 0.0000 0.0368 ( 901 PWs) bands (ev): -53.9659 -53.9659 -26.1495 -26.1495 -22.8264 -22.8264 -22.6106 -22.6106 5.2277 5.2277 14.1930 14.1930 14.9814 14.9950 15.1506 15.1506 18.7406 18.7406 18.8761 18.9217 18.9642 18.9642 22.9636 23.0052 23.0530 23.0530 26.2269 26.2269 k = 0.0000 0.0000 0.0460 ( 901 PWs) bands (ev): -53.9657 -53.9657 -26.1503 -26.1503 -22.8282 -22.8282 -22.6103 -22.6103 5.2415 5.2415 14.1906 14.1906 14.9859 15.0030 15.1567 15.1567 18.7158 18.7158 18.8454 18.9018 18.9498 18.9498 22.9677 23.0190 23.0608 23.0608 26.2418 26.2418 k = 0.0000 0.0000 0.0552 ( 901 PWs) bands (ev): -53.9654 -53.9654 -26.1512 -26.1512 -22.8304 -22.8304 -22.6100 -22.6100 5.2584 5.2584 14.1873 14.1873 14.9918 15.0124 15.1642 15.1642 18.6862 18.6862 18.8097 18.8766 18.9326 18.9326 22.9734 23.0341 23.0698 23.0698 26.2598 26.2598 k = 0.0000 0.0000 0.0644 ( 901 PWs) bands (ev): -53.9651 -53.9651 -26.1523 -26.1523 -22.8329 -22.8329 -22.6096 -22.6096 5.2782 5.2782 14.1831 14.1831 14.9990 15.0232 15.1729 15.1729 18.6520 18.6520 18.7695 18.8465 18.9129 18.9129 22.9805 23.0500 23.0798 23.0798 26.2809 26.2809 k = 0.0000 0.0000 0.0736 ( 895 PWs) bands (ev): -53.9647 -53.9647 -26.1535 -26.1535 -22.8359 -22.8359 -22.6091 -22.6091 5.3011 5.3011 14.1777 14.1777 15.0076 15.0354 15.1831 15.1831 18.6137 18.6137 18.7250 18.8118 18.8911 18.8911 22.9887 23.0665 23.0906 23.0906 26.3049 26.3049 k = 0.0000 0.0000 0.0828 ( 889 PWs) bands (ev): -53.9642 -53.9642 -26.1549 -26.1549 -22.8391 -22.8391 -22.6087 -22.6087 5.3270 5.3270 14.1712 14.1712 15.0174 15.0489 15.1944 15.1944 18.5716 18.5716 18.6765 18.7726 18.8677 18.8677 22.9976 23.0832 23.1016 23.1016 26.3317 26.3317 k = 0.0000 0.0000 0.0920 ( 889 PWs) bands (ev): -53.9637 -53.9637 -26.1565 -26.1565 -22.8427 -22.8427 -22.6081 -22.6081 5.3557 5.3557 14.1627 14.1627 15.0285 15.0637 15.2070 15.2070 18.5260 18.5260 18.6244 18.7295 18.8430 18.8430 23.0069 23.0996 23.1125 23.1125 26.3611 26.3611 k = 0.0000 0.0000 0.1012 ( 889 PWs) bands (ev): -53.9632 -53.9632 -26.1582 -26.1582 -22.8467 -22.8467 -22.6075 -22.6075 5.3874 5.3874 14.1523 14.1523 15.0408 15.0798 15.2208 15.2208 18.4774 18.4774 18.5690 18.6827 18.8176 18.8176 23.0163 23.1155 23.1231 23.1231 26.3932 26.3932 k = 0.0000 0.0000 0.1104 ( 889 PWs) bands (ev): -53.9626 -53.9626 -26.1600 -26.1600 -22.8510 -22.8510 -22.6069 -22.6069 5.4220 5.4220 14.1397 14.1397 15.0543 15.0972 15.2358 15.2358 18.4261 18.4261 18.5108 18.6327 18.7919 18.7919 23.0253 23.1306 23.1331 23.1331 26.4277 26.4277 k = 0.0000 0.0000 0.1196 ( 889 PWs) bands (ev): -53.9620 -53.9620 -26.1620 -26.1620 -22.8556 -22.8556 -22.6062 -22.6062 5.4593 5.4593 14.1247 14.1247 15.0690 15.1158 15.2518 15.2518 18.3724 18.3724 18.4501 18.5797 18.7665 18.7665 23.0337 23.1420 23.1420 23.1444 26.4645 26.4645 k = 0.0000 0.0000 0.1288 ( 889 PWs) bands (ev): -53.9613 -53.9613 -26.1642 -26.1642 -22.8605 -22.8605 -22.6054 -22.6054 5.4995 5.4995 14.1068 14.1068 15.0848 15.1357 15.2690 15.2690 18.3168 18.3168 18.3872 18.5243 18.7421 18.7421 23.0411 23.1496 23.1496 23.1566 26.5035 26.5035 k = 0.0000 0.0000 0.1380 ( 889 PWs) bands (ev): -53.9606 -53.9606 -26.1664 -26.1664 -22.8656 -22.8656 -22.6046 -22.6046 5.5423 5.5423 14.0859 14.0859 15.1017 15.1567 15.2872 15.2872 18.2595 18.2595 18.3225 18.4667 18.7192 18.7192 23.0473 23.1557 23.1557 23.1671 26.5446 26.5446 k = 0.0000 0.0000 0.1472 ( 895 PWs) bands (ev): -53.9599 -53.9599 -26.1689 -26.1689 -22.8710 -22.8710 -22.6038 -22.6038 5.5879 5.5879 14.0614 14.0614 15.1196 15.1790 15.3064 15.3064 18.2009 18.2009 18.2561 18.4072 18.6980 18.6980 23.0519 23.1599 23.1599 23.1754 26.5878 26.5878 k = 0.0000 0.0000 0.1564 ( 895 PWs) bands (ev): -53.9591 -53.9591 -26.1714 -26.1714 -22.8766 -22.8766 -22.6030 -22.6030 5.6360 5.6360 14.0334 14.0334 15.1386 15.2023 15.3265 15.3265 18.1413 18.1413 18.1887 18.3464 18.6796 18.6796 23.0548 23.1620 23.1620 23.1815 26.6329 26.6329 k = 0.0000 0.0000 0.1656 ( 895 PWs) bands (ev): -53.9583 -53.9583 -26.1740 -26.1740 -22.8825 -22.8825 -22.6021 -22.6021 5.6868 5.6868 14.0016 14.0016 15.1585 15.2267 15.3475 15.3475 18.0810 18.0810 18.1203 18.2843 18.6643 18.6643 23.0557 23.1618 23.1618 23.1851 26.6798 26.6798 k = 0.0000 0.0000 0.1748 ( 895 PWs) bands (ev): -53.9575 -53.9575 -26.1767 -26.1767 -22.8885 -22.8885 -22.6012 -22.6012 5.7400 5.7400 13.9656 13.9656 15.1792 15.2521 15.3693 15.3693 18.0203 18.0203 18.0513 18.2215 18.6525 18.6525 23.0544 23.1592 23.1592 23.1861 26.7285 26.7285 k = 0.0000 0.0000 0.1840 ( 895 PWs) bands (ev): -53.9567 -53.9567 -26.1796 -26.1796 -22.8946 -22.8946 -22.6002 -22.6002 5.7957 5.7957 13.9254 13.9254 15.2008 15.2785 15.3917 15.3917 17.9594 17.9594 17.9819 18.1581 18.6447 18.6447 23.0509 23.1541 23.1541 23.1843 26.7788 26.7788 k = 0.0000 0.0000 0.1932 ( 888 PWs) bands (ev): -53.9558 -53.9558 -26.1824 -26.1824 -22.9009 -22.9009 -22.5992 -22.5992 5.8537 5.8537 13.8808 13.8808 15.2232 15.3058 15.4148 15.4148 17.8988 17.8988 17.9125 18.0946 18.6412 18.6412 23.0450 23.1463 23.1463 23.1797 26.8309 26.8309 k = 0.0000 0.0000 0.2024 ( 894 PWs) bands (ev): -53.9549 -53.9549 -26.1855 -26.1855 -22.9074 -22.9074 -22.5982 -22.5982 5.9140 5.9140 13.8315 13.8315 15.2463 15.3339 15.4384 15.4384 17.8383 17.8383 17.8430 18.0307 18.6422 18.6422 23.0365 23.1357 23.1357 23.1721 26.8845 26.8845 k = 0.0000 0.0000 0.2116 ( 894 PWs) bands (ev): -53.9540 -53.9540 -26.1885 -26.1885 -22.9139 -22.9139 -22.5972 -22.5972 5.9766 5.9766 13.7777 13.7777 15.2700 15.3628 15.4625 15.4625 17.7739 17.7786 17.7786 17.9672 18.6479 18.6479 23.0257 23.1224 23.1224 23.1618 26.9397 26.9397 k = 0.0000 0.0000 0.2208 ( 894 PWs) bands (ev): -53.9530 -53.9530 -26.1917 -26.1917 -22.9205 -22.9205 -22.5961 -22.5961 6.0413 6.0413 13.7193 13.7193 15.2942 15.3924 15.4868 15.4868 17.7053 17.7197 17.7197 17.9041 18.6585 18.6585 23.0124 23.1065 23.1065 23.1486 26.9965 26.9965 k = 0.0000 0.0000 0.2300 ( 906 PWs) bands (ev): -53.9521 -53.9521 -26.1949 -26.1949 -22.9273 -22.9273 -22.5951 -22.5951 6.1080 6.1080 13.6564 13.6564 15.3188 15.4225 15.5112 15.5112 17.6372 17.6616 17.6616 17.8415 18.6740 18.6740 22.9965 23.0877 23.0877 23.1324 27.0547 27.0547 k = 0.0000 0.0000 0.2392 ( 906 PWs) bands (ev): -53.9511 -53.9511 -26.1981 -26.1981 -22.9340 -22.9340 -22.5941 -22.5941 6.1767 6.1767 13.5892 13.5892 15.3438 15.4532 15.5358 15.5358 17.5703 17.6050 17.6050 17.7799 18.6945 18.6945 22.9784 23.0665 23.0665 23.1137 27.1144 27.1144 k = 0.0000 0.0000 0.2484 ( 906 PWs) bands (ev): -53.9502 -53.9502 -26.2014 -26.2014 -22.9407 -22.9407 -22.5930 -22.5930 6.2473 6.2473 13.5178 13.5178 15.3692 15.4844 15.5604 15.5604 17.5046 17.5500 17.5500 17.7194 18.7198 18.7198 22.9580 23.0429 23.0429 23.0924 27.1757 27.1757 k = 0.0000 0.0000 0.2576 ( 912 PWs) bands (ev): -53.9492 -53.9492 -26.2047 -26.2047 -22.9474 -22.9474 -22.5919 -22.5919 6.3196 6.3196 13.4421 13.4421 15.3948 15.5159 15.5847 15.5847 17.4401 17.4967 17.4967 17.6601 18.7497 18.7497 22.9355 23.0168 23.0168 23.0686 27.2383 27.2383 k = 0.0000 0.0000 0.2668 ( 906 PWs) bands (ev): -53.9483 -53.9483 -26.2080 -26.2080 -22.9541 -22.9541 -22.5908 -22.5908 6.3935 6.3935 13.3630 13.3630 15.4206 15.5477 15.6088 15.6088 17.3773 17.4456 17.4456 17.6023 18.7842 18.7842 22.9110 22.9885 22.9885 23.0425 27.3025 27.3025 k = 0.0000 0.0000 0.2760 ( 918 PWs) bands (ev): -53.9473 -53.9473 -26.2113 -26.2113 -22.9608 -22.9608 -22.5898 -22.5898 6.4690 6.4690 13.2803 13.2803 15.4462 15.5794 15.6321 15.6321 17.3159 17.3963 17.3963 17.5458 18.8227 18.8227 22.8845 22.9581 22.9581 23.0141 27.3682 27.3682 k = 0.0000 0.0000 0.2852 ( 918 PWs) bands (ev): -53.9464 -53.9464 -26.2146 -26.2146 -22.9673 -22.9673 -22.5887 -22.5887 6.5459 6.5459 13.1945 13.1945 15.4718 15.6111 15.6549 15.6549 17.2564 17.3494 17.3494 17.4911 18.8654 18.8654 22.8565 22.9260 22.9260 22.9839 27.4353 27.4353 k = 0.0000 0.0000 0.2944 ( 918 PWs) bands (ev): -53.9454 -53.9454 -26.2179 -26.2179 -22.9738 -22.9738 -22.5877 -22.5877 6.6241 6.6241 13.1059 13.1059 15.4973 15.6427 15.6768 15.6768 17.1989 17.3051 17.3051 17.4381 18.9116 18.9116 22.8270 22.8922 22.8922 22.9520 27.5040 27.5040 k = 0.0000 0.0000 0.3036 ( 918 PWs) bands (ev): -53.9445 -53.9445 -26.2212 -26.2212 -22.9802 -22.9802 -22.5866 -22.5866 6.7034 6.7034 13.0148 13.0148 15.5224 15.6740 15.6977 15.6977 17.1435 17.2635 17.2635 17.3871 18.9610 18.9610 22.7962 22.8570 22.8570 22.9185 27.5741 27.5741 k = 0.0000 0.0000 0.3128 ( 918 PWs) bands (ev): -53.9436 -53.9436 -26.2244 -26.2244 -22.9864 -22.9864 -22.5856 -22.5856 6.7837 6.7837 12.9215 12.9215 15.5472 15.7047 15.7175 15.7175 17.0905 17.2248 17.2248 17.3380 19.0133 19.0133 22.7645 22.8206 22.8206 22.8838 27.6458 27.6458 k = 0.0000 0.0000 0.3220 ( 918 PWs) bands (ev): -53.9426 -53.9426 -26.2276 -26.2276 -22.9925 -22.9925 -22.5846 -22.5846 6.8648 6.8648 12.8266 12.8266 15.5715 15.7347 15.7358 15.7358 17.0400 17.1890 17.1890 17.2910 19.0679 19.0679 22.7319 22.7834 22.7834 22.8480 27.7190 27.7190 k = 0.0000 0.0000 0.3312 ( 918 PWs) bands (ev): -53.9418 -53.9418 -26.2307 -26.2307 -22.9984 -22.9984 -22.5836 -22.5836 6.9465 6.9465 12.7303 12.7303 15.5953 15.7527 15.7527 15.7637 16.9922 17.1564 17.1564 17.2462 19.1246 19.1246 22.6988 22.7454 22.7454 22.8115 27.7937 27.7937 k = 0.0000 0.0000 0.3404 ( 930 PWs) bands (ev): -53.9409 -53.9409 -26.2338 -26.2338 -23.0042 -23.0042 -22.5827 -22.5827 7.0286 7.0286 12.6330 12.6330 15.6181 15.7678 15.7678 15.7914 16.9471 17.1267 17.1267 17.2034 19.1826 19.1826 22.6653 22.7069 22.7069 22.7742 27.8700 27.8700 k = 0.0000 0.0000 0.3496 ( 930 PWs) bands (ev): -53.9401 -53.9401 -26.2367 -26.2367 -23.0097 -23.0097 -22.5817 -22.5817 7.1109 7.1109 12.5352 12.5352 15.6405 15.7813 15.7813 15.8179 16.9053 17.1005 17.1005 17.1630 19.2417 19.2417 22.6319 22.6684 22.6684 22.7368 27.9478 27.9478 k = 0.0000 0.0000 0.3588 ( 930 PWs) bands (ev): -53.9393 -53.9393 -26.2396 -26.2396 -23.0150 -23.0150 -22.5808 -22.5808 7.1930 7.1930 12.4374 12.4374 15.6620 15.7931 15.7931 15.8427 16.8668 17.0775 17.0775 17.1248 19.3013 19.3013 22.5986 22.6299 22.6299 22.6993 28.0272 28.0272 k = 0.0000 0.0000 0.3680 ( 930 PWs) bands (ev): -53.9385 -53.9385 -26.2423 -26.2423 -23.0201 -23.0201 -22.5800 -22.5800 7.2749 7.2749 12.3400 12.3400 15.6826 15.8030 15.8030 15.8655 16.8319 17.0577 17.0577 17.0889 19.3610 19.3610 22.5658 22.5919 22.5919 22.6621 28.1082 28.1082 k = 0.0000 0.0000 0.3772 ( 930 PWs) bands (ev): -53.9378 -53.9378 -26.2450 -26.2450 -23.0250 -23.0250 -22.5791 -22.5791 7.3560 7.3560 12.2435 12.2435 15.7023 15.8112 15.8112 15.8862 16.8006 17.0409 17.0409 17.0552 19.4203 19.4203 22.5337 22.5545 22.5545 22.6254 28.1906 28.1906 k = 0.0000 0.0000 0.3864 ( 930 PWs) bands (ev): -53.9371 -53.9371 -26.2475 -26.2475 -23.0296 -23.0296 -22.5783 -22.5783 7.4361 7.4361 12.1483 12.1483 15.7211 15.8177 15.8177 15.9044 16.7733 17.0237 17.0271 17.0271 19.4787 19.4787 22.5025 22.5180 22.5180 22.5893 28.2745 28.2745 k = 0.0000 0.0000 0.3956 ( 930 PWs) bands (ev): -53.9364 -53.9364 -26.2499 -26.2499 -23.0340 -23.0340 -22.5776 -22.5776 7.5148 7.5148 12.0550 12.0550 15.7390 15.8226 15.8226 15.9199 16.7499 16.9943 17.0160 17.0160 19.5356 19.5356 22.4726 22.4828 22.4828 22.5543 28.3596 28.3596 k = 0.0000 0.0000 0.4048 ( 930 PWs) bands (ev): -53.9358 -53.9358 -26.2522 -26.2522 -23.0380 -23.0380 -22.5769 -22.5769 7.5916 7.5916 11.9642 11.9642 15.7558 15.8260 15.8260 15.9326 16.7307 16.9669 17.0074 17.0074 19.5907 19.5907 22.4441 22.4489 22.4489 22.5204 28.4459 28.4459 k = 0.0000 0.0000 0.4140 ( 936 PWs) bands (ev): -53.9352 -53.9352 -26.2543 -26.2543 -23.0418 -23.0418 -22.5763 -22.5763 7.6660 7.6660 11.8764 11.8764 15.7717 15.8279 15.8279 15.9423 16.7154 16.9413 17.0009 17.0009 19.6434 19.6434 22.4167 22.4167 22.4171 22.4880 28.5329 28.5329 k = 0.0000 0.0000 0.4232 ( 936 PWs) bands (ev): -53.9347 -53.9347 -26.2563 -26.2563 -23.0453 -23.0453 -22.5757 -22.5757 7.7375 7.7375 11.7925 11.7925 15.7868 15.8289 15.8289 15.9491 16.7044 16.9176 16.9964 16.9964 19.6932 19.6932 22.3864 22.3864 22.3921 22.4572 28.6206 28.6206 k = 0.0000 0.0000 0.4324 ( 936 PWs) bands (ev): -53.9342 -53.9342 -26.2580 -26.2580 -23.0485 -23.0485 -22.5751 -22.5751 7.8055 7.8055 11.7129 11.7129 15.8011 15.8290 15.8290 15.9531 16.6971 16.8956 16.9935 16.9935 19.7399 19.7399 22.3583 22.3583 22.3692 22.4283 28.7084 28.7084 k = 0.0000 0.0000 0.4416 ( 924 PWs) bands (ev): -53.9337 -53.9337 -26.2596 -26.2596 -23.0513 -23.0513 -22.5746 -22.5746 7.8693 7.8693 11.6388 11.6388 15.8148 15.8286 15.8286 15.9547 16.6935 16.8751 16.9920 16.9920 19.7831 19.7831 22.3326 22.3326 22.3486 22.4017 28.7955 28.7955 k = 0.0000 0.0000 0.4508 ( 912 PWs) bands (ev): -53.9333 -53.9333 -26.2610 -26.2610 -23.0538 -23.0538 -22.5741 -22.5741 7.9282 7.9282 11.5705 11.5705 15.8279 15.8279 15.8280 15.9539 16.6932 16.8561 16.9916 16.9916 19.8220 19.8220 22.3095 22.3095 22.3304 22.3772 28.8810 28.8810 k = 0.0000 0.0000 0.4600 ( 912 PWs) bands (ev): -53.9330 -53.9330 -26.2622 -26.2622 -23.0560 -23.0560 -22.5737 -22.5737 7.9814 7.9814 11.5089 11.5089 15.8266 15.8266 15.8403 15.9508 16.6956 16.8380 16.9917 16.9917 19.8565 19.8565 22.2890 22.2890 22.3147 22.3552 28.9635 28.9635 k = 0.0000 0.0000 0.4692 ( 912 PWs) bands (ev): -53.9327 -53.9327 -26.2633 -26.2633 -23.0579 -23.0579 -22.5734 -22.5734 8.0281 8.0281 11.4550 11.4550 15.8251 15.8251 15.8521 15.9460 16.7004 16.8211 16.9922 16.9922 19.8863 19.8863 22.2713 22.2713 22.3017 22.3357 29.0412 29.0412 k = 0.0000 0.0000 0.4784 ( 912 PWs) bands (ev): -53.9324 -53.9324 -26.2642 -26.2642 -23.0594 -23.0594 -22.5731 -22.5731 8.0677 8.0677 11.4095 11.4095 15.8237 15.8237 15.8635 15.9397 16.7073 16.8050 16.9930 16.9930 19.9110 19.9110 22.2567 22.2567 22.2916 22.3189 29.1119 29.1119 k = 0.0000 0.0000 0.4876 ( 912 PWs) bands (ev): -53.9322 -53.9322 -26.2649 -26.2649 -23.0606 -23.0606 -22.5729 -22.5729 8.0993 8.0993 11.3733 11.3733 15.8225 15.8225 15.8745 15.9323 16.7158 16.7899 16.9938 16.9938 19.9305 19.9305 22.2452 22.2452 22.2844 22.3049 29.1724 29.1724 k = 0.0000 0.0000 0.4968 ( 912 PWs) bands (ev): -53.9321 -53.9321 -26.2654 -26.2654 -23.0615 -23.0615 -22.5728 -22.5728 8.1224 8.1224 11.3469 11.3469 15.8215 15.8215 15.8851 15.9239 16.7258 16.7755 16.9945 16.9945 19.9446 19.9446 22.2369 22.2369 22.2802 22.2939 29.2194 29.2194 k = 0.0000 0.0000 0.5060 ( 912 PWs) bands (ev): -53.9320 -53.9320 -26.2657 -26.2657 -23.0620 -23.0620 -22.5727 -22.5727 8.1364 8.1364 11.3308 11.3308 15.8209 15.8209 15.8955 15.9149 16.7369 16.7618 16.9950 16.9950 19.9531 19.9531 22.2320 22.2320 22.2790 22.2859 29.2494 29.2494 k = 0.0000 0.0000 0.5152 ( 912 PWs) bands (ev): -53.9320 -53.9320 -26.2658 -26.2658 -23.0622 -23.0622 -22.5726 -22.5726 8.1412 8.1412 11.3254 11.3254 15.8207 15.8207 15.9054 15.9054 16.7489 16.7489 16.9951 16.9951 19.9559 19.9559 22.2303 22.2303 22.2809 22.2809 29.2597 29.2597 k = 0.0000 0.0000 0.5152 ( 912 PWs) bands (ev): -53.9320 -53.9320 -26.2658 -26.2658 -23.0622 -23.0622 -22.5726 -22.5726 8.1412 8.1412 11.3254 11.3254 15.8207 15.8207 15.9054 15.9054 16.7489 16.7489 16.9951 16.9951 19.9559 19.9559 22.2303 22.2303 22.2809 22.2809 29.2597 29.2597 k = 0.0079 0.0046 0.5152 ( 912 PWs) bands (ev): -53.9320 -53.9320 -26.2658 -26.2658 -23.0622 -23.0622 -22.5728 -22.5728 8.1410 8.1410 11.3270 11.3270 15.8197 15.8197 15.9044 15.9044 16.7489 16.7489 16.9951 16.9951 19.9568 19.9568 22.2307 22.2307 22.2815 22.2815 29.2616 29.2616 k = 0.0159 0.0092 0.5152 ( 912 PWs) bands (ev): -53.9319 -53.9319 -26.2660 -26.2660 -23.0623 -23.0623 -22.5733 -22.5733 8.1405 8.1405 11.3316 11.3316 15.8167 15.8167 15.9014 15.9014 16.7486 16.7486 16.9950 16.9950 19.9595 19.9595 22.2315 22.2315 22.2839 22.2839 29.2673 29.2673 k = 0.0238 0.0137 0.5152 ( 912 PWs) bands (ev): -53.9318 -53.9318 -26.2662 -26.2662 -23.0625 -23.0625 -22.5741 -22.5741 8.1396 8.1396 11.3394 11.3394 15.8116 15.8116 15.8965 15.8965 16.7479 16.7479 16.9953 16.9953 19.9640 19.9640 22.2309 22.2309 22.2899 22.2899 29.2768 29.2768 k = 0.0317 0.0183 0.5152 ( 912 PWs) bands (ev): -53.9316 -53.9316 -26.2666 -26.2666 -23.0628 -23.0628 -22.5752 -22.5752 8.1385 8.1385 11.3502 11.3502 15.8041 15.8041 15.8899 15.8899 16.7462 16.7462 16.9964 16.9964 19.9701 19.9701 22.2274 22.2274 22.3009 22.3009 29.2899 29.2899 k = 0.0397 0.0229 0.5152 ( 916 PWs) bands (ev): -53.9313 -53.9313 -26.2671 -26.2671 -23.0631 -23.0631 -22.5767 -22.5767 8.1369 8.1369 11.3641 11.3641 15.7941 15.7941 15.8817 15.8817 16.7430 16.7430 16.9989 16.9989 19.9779 19.9779 22.2206 22.2206 22.3174 22.3174 29.3066 29.3066 k = 0.0476 0.0275 0.5152 ( 914 PWs) bands (ev): -53.9310 -53.9310 -26.2676 -26.2676 -23.0635 -23.0635 -22.5784 -22.5784 8.1351 8.1351 11.3810 11.3810 15.7816 15.7816 15.8725 15.8725 16.7379 16.7379 17.0038 17.0038 19.9873 19.9873 22.2110 22.2110 22.3390 22.3390 29.3267 29.3267 k = 0.0556 0.0321 0.5152 ( 914 PWs) bands (ev): -53.9307 -53.9307 -26.2683 -26.2683 -23.0640 -23.0640 -22.5804 -22.5804 8.1330 8.1330 11.4008 11.4008 15.7662 15.7662 15.8623 15.8623 16.7302 16.7302 17.0115 17.0115 19.9981 19.9981 22.1990 22.1990 22.3653 22.3653 29.3501 29.3501 k = 0.0635 0.0367 0.5152 ( 914 PWs) bands (ev): -53.9303 -53.9303 -26.2690 -26.2690 -23.0646 -23.0646 -22.5828 -22.5828 8.1306 8.1306 11.4234 11.4234 15.7478 15.7478 15.8511 15.8511 16.7197 16.7197 17.0227 17.0227 20.0104 20.0104 22.1853 22.1853 22.3959 22.3959 29.3765 29.3765 k = 0.0714 0.0412 0.5152 ( 914 PWs) bands (ev): -53.9299 -53.9299 -26.2699 -26.2699 -23.0652 -23.0652 -22.5854 -22.5854 8.1278 8.1278 11.4489 11.4489 15.7267 15.7267 15.8393 15.8393 16.7062 16.7062 17.0377 17.0377 20.0239 20.0239 22.1701 22.1701 22.4304 22.4304 29.4058 29.4058 k = 0.0794 0.0458 0.5152 ( 914 PWs) bands (ev): -53.9294 -53.9294 -26.2708 -26.2708 -23.0659 -23.0659 -22.5883 -22.5883 8.1248 8.1248 11.4770 11.4770 15.7027 15.7027 15.8267 15.8267 16.6897 16.6897 17.0565 17.0565 20.0384 20.0384 22.1538 22.1538 22.4687 22.4687 29.4376 29.4376 k = 0.0873 0.0504 0.5152 ( 910 PWs) bands (ev): -53.9288 -53.9288 -26.2719 -26.2719 -23.0667 -23.0667 -22.5915 -22.5915 8.1216 8.1216 11.5078 11.5078 15.6763 15.6763 15.8133 15.8133 16.6709 16.6709 17.0792 17.0792 20.0540 20.0540 22.1367 22.1367 22.5105 22.5105 29.4718 29.4718 k = 0.0952 0.0550 0.5152 ( 910 PWs) bands (ev): -53.9282 -53.9282 -26.2730 -26.2730 -23.0675 -23.0675 -22.5949 -22.5949 8.1180 8.1180 11.5410 11.5410 15.6474 15.6474 15.7989 15.7989 16.6500 16.6500 17.1053 17.1053 20.0704 20.0704 22.1191 22.1191 22.5555 22.5555 29.5079 29.5079 k = 0.1032 0.0596 0.5152 ( 910 PWs) bands (ev): -53.9276 -53.9276 -26.2742 -26.2742 -23.0684 -23.0684 -22.5986 -22.5986 8.1143 8.1143 11.5766 11.5766 15.6162 15.6162 15.7836 15.7836 16.6274 16.6274 17.1349 17.1349 20.0877 20.0877 22.1013 22.1013 22.6035 22.6035 29.5457 29.5457 k = 0.1111 0.0642 0.5152 ( 910 PWs) bands (ev): -53.9270 -53.9270 -26.2755 -26.2755 -23.0694 -23.0694 -22.6025 -22.6025 8.1103 8.1103 11.6144 11.6144 15.5830 15.5830 15.7672 15.7672 16.6036 16.6036 17.1677 17.1677 20.1055 20.1055 22.0836 22.0836 22.6544 22.6544 29.5848 29.5848 k = 0.1190 0.0687 0.5152 ( 914 PWs) bands (ev): -53.9262 -53.9262 -26.2769 -26.2769 -23.0705 -23.0705 -22.6067 -22.6067 8.1061 8.1061 11.6543 11.6543 15.5481 15.5481 15.7496 15.7496 16.5790 16.5790 17.2034 17.2034 20.1238 20.1238 22.0663 22.0663 22.7079 22.7079 29.6247 29.6247 k = 0.1270 0.0733 0.5152 ( 918 PWs) bands (ev): -53.9255 -53.9255 -26.2784 -26.2784 -23.0716 -23.0716 -22.6111 -22.6111 8.1018 8.1018 11.6960 11.6960 15.5113 15.5113 15.7307 15.7307 16.5542 16.5542 17.2422 17.2422 20.1425 20.1425 22.0496 22.0496 22.7637 22.7637 29.6650 29.6650 k = 0.1349 0.0779 0.5152 ( 918 PWs) bands (ev): -53.9247 -53.9247 -26.2800 -26.2800 -23.0728 -23.0728 -22.6156 -22.6156 8.0972 8.0972 11.7395 11.7395 15.4733 15.4733 15.7107 15.7107 16.5295 16.5295 17.2839 17.2839 20.1616 20.1616 22.0339 22.0339 22.8218 22.8218 29.7054 29.7054 k = 0.1429 0.0825 0.5152 ( 922 PWs) bands (ev): -53.9239 -53.9239 -26.2816 -26.2816 -23.0741 -23.0741 -22.6204 -22.6204 8.0926 8.0926 11.7844 11.7844 15.4341 15.4341 15.6893 15.6893 16.5054 16.5054 17.3281 17.3281 20.1807 20.1807 22.0192 22.0192 22.8818 22.8818 29.7454 29.7454 k = 0.1508 0.0871 0.5152 ( 922 PWs) bands (ev): -53.9230 -53.9230 -26.2833 -26.2833 -23.0754 -23.0754 -22.6253 -22.6253 8.0877 8.0877 11.8306 11.8306 15.3938 15.3938 15.6666 15.6666 16.4822 16.4822 17.3750 17.3750 20.2000 20.2000 22.0059 22.0059 22.9436 22.9436 29.7844 29.7844 k = 0.1587 0.0916 0.5152 ( 922 PWs) bands (ev): -53.9221 -53.9221 -26.2851 -26.2851 -23.0768 -23.0768 -22.6303 -22.6303 8.0828 8.0828 11.8779 11.8779 15.3527 15.3527 15.6426 15.6426 16.4604 16.4604 17.4242 17.4242 20.2193 20.2193 21.9942 21.9942 23.0070 23.0070 29.8219 29.8219 k = 0.1667 0.0962 0.5152 ( 922 PWs) bands (ev): -53.9212 -53.9212 -26.2869 -26.2869 -23.0783 -23.0783 -22.6355 -22.6355 8.0778 8.0778 11.9261 11.9261 15.3107 15.3107 15.6173 15.6173 16.4404 16.4404 17.4758 17.4758 20.2386 20.2386 21.9842 21.9842 23.0718 23.0718 29.8575 29.8575 k = 0.1746 0.1008 0.5152 ( 922 PWs) bands (ev): -53.9203 -53.9203 -26.2888 -26.2888 -23.0798 -23.0798 -22.6408 -22.6408 8.0727 8.0727 11.9747 11.9747 15.2682 15.2682 15.5906 15.5906 16.4225 16.4225 17.5296 17.5296 20.2576 20.2576 21.9761 21.9761 23.1377 23.1377 29.8905 29.8905 k = 0.1825 0.1054 0.5152 ( 922 PWs) bands (ev): -53.9193 -53.9193 -26.2908 -26.2908 -23.0813 -23.0813 -22.6462 -22.6462 8.0676 8.0676 12.0236 12.0236 15.2252 15.2252 15.5628 15.5628 16.4072 16.4072 17.5854 17.5854 20.2763 20.2763 21.9700 21.9700 23.2044 23.2044 29.9203 29.9203 k = 0.1905 0.1100 0.5152 ( 922 PWs) bands (ev): -53.9183 -53.9183 -26.2928 -26.2928 -23.0829 -23.0829 -22.6517 -22.6517 8.0625 8.0625 12.0726 12.0726 15.1820 15.1820 15.5336 15.5336 16.3949 16.3949 17.6433 17.6433 20.2947 20.2947 21.9662 21.9662 23.2720 23.2720 29.9465 29.9465 k = 0.1984 0.1146 0.5152 ( 922 PWs) bands (ev): -53.9173 -53.9173 -26.2948 -26.2948 -23.0846 -23.0846 -22.6572 -22.6572 8.0573 8.0573 12.1212 12.1212 15.1385 15.1385 15.5032 15.5032 16.3858 16.3858 17.7031 17.7031 20.3126 20.3126 21.9645 21.9645 23.3402 23.3402 29.9683 29.9683 k = 0.2063 0.1191 0.5152 ( 918 PWs) bands (ev): -53.9163 -53.9163 -26.2969 -26.2969 -23.0863 -23.0863 -22.6628 -22.6628 8.0521 8.0521 12.1693 12.1693 15.0950 15.0950 15.4718 15.4718 16.3805 16.3805 17.7647 17.7647 20.3301 20.3301 21.9653 21.9653 23.4089 23.4089 29.9853 29.9853 k = 0.2143 0.1237 0.5152 ( 922 PWs) bands (ev): -53.9152 -53.9152 -26.2990 -26.2990 -23.0881 -23.0881 -22.6684 -22.6684 8.0469 8.0469 12.2165 12.2165 15.0515 15.0515 15.4391 15.4391 16.3791 16.3791 17.8278 17.8278 20.3470 20.3470 21.9684 21.9684 23.4777 23.4777 29.9967 29.9967 k = 0.2222 0.1283 0.5152 ( 924 PWs) bands (ev): -53.9142 -53.9142 -26.3012 -26.3012 -23.0899 -23.0899 -22.6741 -22.6741 8.0418 8.0418 12.2624 12.2624 15.0082 15.0082 15.4054 15.4054 16.3821 16.3821 17.8926 17.8926 20.3632 20.3632 21.9736 21.9736 23.5465 23.5465 30.0022 30.0022 k = 0.2302 0.1329 0.5152 ( 920 PWs) bands (ev): -53.9131 -53.9131 -26.3034 -26.3034 -23.0918 -23.0918 -22.6797 -22.6797 8.0367 8.0367 12.3070 12.3070 14.9652 14.9652 15.3709 15.3709 16.3898 16.3898 17.9589 17.9589 20.3788 20.3788 21.9816 21.9816 23.6153 23.6153 30.0012 30.0012 k = 0.2381 0.1375 0.5152 ( 920 PWs) bands (ev): -53.9120 -53.9120 -26.3056 -26.3056 -23.0937 -23.0937 -22.6854 -22.6854 8.0317 8.0317 12.3497 12.3497 14.9225 14.9225 15.3355 15.3355 16.4025 16.4025 18.0263 18.0263 20.3935 20.3935 21.9917 21.9917 23.6837 23.6837 29.9932 29.9932 k = 0.2460 0.1420 0.5152 ( 916 PWs) bands (ev): -53.9110 -53.9110 -26.3078 -26.3078 -23.0956 -23.0956 -22.6910 -22.6910 8.0267 8.0267 12.3905 12.3905 14.8804 14.8804 15.2994 15.2994 16.4205 16.4205 18.0950 18.0950 20.4075 20.4075 22.0043 22.0043 23.7518 23.7518 29.9778 29.9778 k = 0.2540 0.1466 0.5152 ( 916 PWs) bands (ev): -53.9099 -53.9099 -26.3101 -26.3101 -23.0976 -23.0976 -22.6966 -22.6966 8.0219 8.0219 12.4291 12.4291 14.8388 14.8388 15.2626 15.2626 16.4439 16.4439 18.1646 18.1646 20.4204 20.4204 22.0191 22.0191 23.8192 23.8192 29.9546 29.9546 k = 0.2619 0.1512 0.5152 ( 916 PWs) bands (ev): -53.9088 -53.9088 -26.3123 -26.3123 -23.0996 -23.0996 -22.7021 -22.7021 8.0171 8.0171 12.4652 12.4652 14.7977 14.7977 15.2253 15.2253 16.4729 16.4729 18.2351 18.2351 20.4324 20.4324 22.0361 22.0361 23.8858 23.8858 29.9234 29.9234 k = 0.2698 0.1558 0.5152 ( 912 PWs) bands (ev): -53.9077 -53.9077 -26.3145 -26.3145 -23.1016 -23.1016 -22.7075 -22.7075 8.0125 8.0125 12.4988 12.4988 14.7574 14.7574 15.1877 15.1877 16.5076 16.5076 18.3065 18.3065 20.4434 20.4434 22.0550 22.0550 23.9517 23.9517 29.8840 29.8840 k = 0.2778 0.1604 0.5152 ( 912 PWs) bands (ev): -53.9067 -53.9067 -26.3168 -26.3168 -23.1036 -23.1036 -22.7128 -22.7128 8.0080 8.0080 12.5297 12.5297 14.7179 14.7179 15.1498 15.1498 16.5480 16.5480 18.3782 18.3782 20.4531 20.4531 22.0761 22.0761 24.0164 24.0164 29.8364 29.8364 k = 0.2857 0.1650 0.5152 ( 912 PWs) bands (ev): -53.9056 -53.9056 -26.3190 -26.3190 -23.1057 -23.1057 -22.7181 -22.7181 8.0036 8.0036 12.5578 12.5578 14.6792 14.6792 15.1118 15.1118 16.5942 16.5942 18.4503 18.4503 20.4616 20.4616 22.0990 22.0990 24.0800 24.0800 29.7805 29.7805 k = 0.2937 0.1695 0.5152 ( 912 PWs) bands (ev): -53.9045 -53.9045 -26.3212 -26.3212 -23.1077 -23.1077 -22.7232 -22.7232 7.9994 7.9994 12.5831 12.5831 14.6414 14.6414 15.0737 15.0737 16.6461 16.6461 18.5226 18.5226 20.4688 20.4688 22.1237 22.1237 24.1423 24.1423 29.7167 29.7167 k = 0.3016 0.1741 0.5152 ( 912 PWs) bands (ev): -53.9035 -53.9035 -26.3234 -26.3234 -23.1098 -23.1098 -22.7282 -22.7282 7.9953 7.9953 12.6057 12.6057 14.6046 14.6046 15.0358 15.0358 16.7036 16.7036 18.5949 18.5949 20.4745 20.4745 22.1499 22.1499 24.2032 24.2032 29.6452 29.6452 k = 0.3095 0.1787 0.5152 ( 912 PWs) bands (ev): -53.9025 -53.9025 -26.3256 -26.3256 -23.1119 -23.1119 -22.7331 -22.7331 7.9913 7.9913 12.6254 12.6254 14.5688 14.5688 14.9982 14.9982 16.7664 16.7664 18.6671 18.6671 20.4788 20.4788 22.1776 22.1776 24.2626 24.2626 29.5664 29.5664 k = 0.3175 0.1833 0.5152 ( 912 PWs) bands (ev): -53.9015 -53.9015 -26.3277 -26.3277 -23.1139 -23.1139 -22.7378 -22.7378 7.9876 7.9876 12.6426 12.6426 14.5342 14.5342 14.9609 14.9609 16.8343 16.8343 18.7388 18.7388 20.4814 20.4814 22.2065 22.2065 24.3203 24.3203 29.4811 29.4811 k = 0.3254 0.1879 0.5152 ( 912 PWs) bands (ev): -53.9005 -53.9005 -26.3298 -26.3298 -23.1160 -23.1160 -22.7424 -22.7424 7.9840 7.9840 12.6572 12.6572 14.5007 14.5007 14.9242 14.9242 16.9071 16.9071 18.8099 18.8099 20.4824 20.4824 22.2365 22.2365 24.3764 24.3764 29.3897 29.3897 k = 0.3333 0.1925 0.5152 ( 912 PWs) bands (ev): -53.8996 -53.8996 -26.3319 -26.3319 -23.1180 -23.1180 -22.7468 -22.7468 7.9805 7.9805 12.6695 12.6695 14.4683 14.4683 14.8881 14.8881 16.9843 16.9843 18.8803 18.8803 20.4816 20.4816 22.2674 22.2674 24.4305 24.4305 29.2931 29.2931 k = 0.3413 0.1970 0.5152 ( 916 PWs) bands (ev): -53.8987 -53.8987 -26.3339 -26.3339 -23.1200 -23.1200 -22.7511 -22.7511 7.9772 7.9772 12.6795 12.6795 14.4372 14.4372 14.8527 14.8527 17.0656 17.0656 18.9493 18.9493 20.4790 20.4790 22.2989 22.2989 24.4827 24.4827 29.1922 29.1922 k = 0.3492 0.2016 0.5152 ( 910 PWs) bands (ev): -53.8978 -53.8978 -26.3358 -26.3358 -23.1219 -23.1219 -22.7551 -22.7551 7.9742 7.9742 12.6875 12.6875 14.4074 14.4074 14.8183 14.8183 17.1506 17.1506 19.0175 19.0175 20.4747 20.4747 22.3310 22.3310 24.5330 24.5330 29.0878 29.0878 k = 0.3571 0.2062 0.5152 ( 910 PWs) bands (ev): -53.8969 -53.8969 -26.3377 -26.3377 -23.1238 -23.1238 -22.7590 -22.7590 7.9712 7.9712 12.6937 12.6937 14.3788 14.3788 14.7849 14.7849 17.2387 17.2387 19.0840 19.0840 20.4681 20.4681 22.3633 22.3633 24.5811 24.5811 28.9809 28.9809 k = 0.3651 0.2108 0.5152 ( 910 PWs) bands (ev): -53.8961 -53.8961 -26.3395 -26.3395 -23.1257 -23.1257 -22.7627 -22.7627 7.9685 7.9685 12.6982 12.6982 14.3517 14.3517 14.7526 14.7526 17.3294 17.3294 19.1486 19.1486 20.4596 20.4596 22.3957 22.3957 24.6270 24.6270 28.8723 28.8723 k = 0.3730 0.2154 0.5152 ( 910 PWs) bands (ev): -53.8953 -53.8953 -26.3412 -26.3412 -23.1275 -23.1275 -22.7662 -22.7662 7.9659 7.9659 12.7013 12.7013 14.3259 14.3259 14.7216 14.7216 17.4222 17.4222 19.2114 19.2114 20.4489 20.4489 22.4278 22.4278 24.6707 24.6707 28.7633 28.7633 k = 0.3810 0.2199 0.5152 ( 910 PWs) bands (ev): -53.8945 -53.8945 -26.3429 -26.3429 -23.1292 -23.1292 -22.7696 -22.7696 7.9635 7.9635 12.7032 12.7032 14.3016 14.3016 14.6918 14.6918 17.5165 17.5165 19.2720 19.2720 20.4362 20.4362 22.4596 22.4596 24.7121 24.7121 28.6547 28.6547 k = 0.3889 0.2245 0.5152 ( 910 PWs) bands (ev): -53.8938 -53.8938 -26.3445 -26.3445 -23.1309 -23.1309 -22.7727 -22.7727 7.9613 7.9613 12.7039 12.7039 14.2786 14.2786 14.6636 14.6636 17.6116 17.6116 19.3300 19.3300 20.4213 20.4213 22.4906 22.4906 24.7511 24.7511 28.5475 28.5475 k = 0.3968 0.2291 0.5152 ( 910 PWs) bands (ev): -53.8931 -53.8931 -26.3460 -26.3460 -23.1325 -23.1325 -22.7756 -22.7756 7.9593 7.9593 12.7039 12.7039 14.2572 14.2572 14.6368 14.6368 17.7069 17.7069 19.3854 19.3854 20.4044 20.4044 22.5208 22.5208 24.7877 24.7877 28.4427 28.4427 k = 0.4048 0.2337 0.5152 ( 910 PWs) bands (ev): -53.8925 -53.8925 -26.3474 -26.3474 -23.1340 -23.1340 -22.7783 -22.7783 7.9574 7.9574 12.7031 12.7031 14.2372 14.2372 14.6117 14.6117 17.8016 17.8016 19.4377 19.4377 20.3856 20.3856 22.5500 22.5500 24.8218 24.8218 28.3412 28.3412 k = 0.4127 0.2383 0.5152 ( 910 PWs) bands (ev): -53.8919 -53.8919 -26.3487 -26.3487 -23.1354 -23.1354 -22.7808 -22.7808 7.9557 7.9557 12.7018 12.7018 14.2188 14.2188 14.5882 14.5882 17.8950 17.8950 19.4868 19.4868 20.3651 20.3651 22.5777 22.5777 24.8533 24.8533 28.2441 28.2441 k = 0.4206 0.2429 0.5152 ( 910 PWs) bands (ev): -53.8914 -53.8914 -26.3499 -26.3499 -23.1367 -23.1367 -22.7830 -22.7830 7.9541 7.9541 12.7001 12.7001 14.2019 14.2019 14.5666 14.5666 17.9862 17.9862 19.5324 19.5324 20.3430 20.3430 22.6040 22.6040 24.8822 24.8822 28.1520 28.1520 k = 0.4286 0.2474 0.5152 ( 910 PWs) bands (ev): -53.8909 -53.8909 -26.3510 -26.3510 -23.1379 -23.1379 -22.7851 -22.7851 7.9527 7.9527 12.6981 12.6981 14.1866 14.1866 14.5468 14.5468 18.0742 18.0742 19.5743 19.5743 20.3197 20.3197 22.6285 22.6285 24.9085 24.9085 28.0660 28.0660 k = 0.4365 0.2520 0.5152 ( 910 PWs) bands (ev): -53.8904 -53.8904 -26.3520 -26.3520 -23.1390 -23.1390 -22.7869 -22.7869 7.9515 7.9515 12.6960 12.6960 14.1728 14.1728 14.5289 14.5289 18.1581 18.1581 19.6122 19.6122 20.2957 20.2957 22.6510 22.6510 24.9321 24.9321 27.9867 27.9867 k = 0.4444 0.2566 0.5152 ( 910 PWs) bands (ev): -53.8900 -53.8900 -26.3528 -26.3528 -23.1400 -23.1400 -22.7886 -22.7886 7.9504 7.9504 12.6940 12.6940 14.1606 14.1606 14.5130 14.5130 18.2368 18.2368 19.6460 19.6460 20.2715 20.2715 22.6713 22.6713 24.9530 24.9530 27.9149 27.9149 k = 0.4524 0.2612 0.5152 ( 910 PWs) bands (ev): -53.8897 -53.8897 -26.3536 -26.3536 -23.1408 -23.1408 -22.7900 -22.7900 7.9495 7.9495 12.6920 12.6920 14.1500 14.1500 14.4990 14.4990 18.3089 18.3089 19.6755 19.6755 20.2479 20.2479 22.6894 22.6894 24.9711 24.9711 27.8513 27.8513 k = 0.4603 0.2658 0.5152 ( 912 PWs) bands (ev): -53.8894 -53.8894 -26.3543 -26.3543 -23.1416 -23.1416 -22.7912 -22.7912 7.9486 7.9486 12.6901 12.6901 14.1411 14.1411 14.4872 14.4872 18.3733 18.3733 19.7005 19.7005 20.2256 20.2256 22.7048 22.7048 24.9865 24.9865 27.7964 27.7964 k = 0.4683 0.2703 0.5152 ( 908 PWs) bands (ev): -53.8892 -53.8892 -26.3548 -26.3548 -23.1421 -23.1421 -22.7922 -22.7922 7.9480 7.9480 12.6886 12.6886 14.1337 14.1337 14.4775 14.4775 18.4286 18.4286 19.7209 19.7209 20.2057 20.2057 22.7179 22.7179 24.9992 24.9992 27.7508 27.7508 k = 0.4762 0.2749 0.5152 ( 908 PWs) bands (ev): -53.8890 -53.8890 -26.3552 -26.3552 -23.1426 -23.1426 -22.7929 -22.7929 7.9475 7.9475 12.6873 12.6873 14.1280 14.1280 14.4699 14.4699 18.4734 18.4734 19.7368 19.7368 20.1888 20.1888 22.7280 22.7280 25.0090 25.0090 27.7149 27.7149 k = 0.4841 0.2795 0.5152 ( 908 PWs) bands (ev): -53.8888 -53.8888 -26.3555 -26.3555 -23.1430 -23.1430 -22.7935 -22.7935 7.9472 7.9472 12.6863 12.6863 14.1239 14.1239 14.4644 14.4644 18.5065 18.5065 19.7480 19.7480 20.1761 20.1761 22.7354 22.7354 25.0161 25.0161 27.6889 27.6889 k = 0.4921 0.2841 0.5152 ( 914 PWs) bands (ev): -53.8888 -53.8888 -26.3557 -26.3557 -23.1432 -23.1432 -22.7938 -22.7938 7.9469 7.9469 12.6857 12.6857 14.1213 14.1213 14.4611 14.4611 18.5268 18.5268 19.7546 19.7546 20.1680 20.1680 22.7397 22.7397 25.0202 25.0202 27.6733 27.6733 k = 0.5000 0.2887 0.5152 ( 912 PWs) bands (ev): -53.8887 -53.8887 -26.3558 -26.3558 -23.1433 -23.1433 -22.7939 -22.7939 7.9469 7.9469 12.6855 12.6855 14.1204 14.1204 14.4600 14.4600 18.5337 18.5337 19.7568 19.7568 20.1654 20.1654 22.7412 22.7412 25.0216 25.0216 27.6680 27.6680 k = 0.5000 0.2887 0.5152 ( 912 PWs) bands (ev): -53.8887 -53.8887 -26.3558 -26.3558 -23.1433 -23.1433 -22.7939 -22.7939 7.9469 7.9469 12.6855 12.6855 14.1204 14.1204 14.4600 14.4600 18.5337 18.5337 19.7568 19.7568 20.1654 20.1654 22.7412 22.7412 25.0216 25.0216 27.6680 27.6680 k = 0.4955 0.2965 0.5152 ( 908 PWs) bands (ev): -53.8887 -53.8887 -26.3560 -26.3556 -23.1433 -23.1430 -22.7945 -22.7935 7.9470 7.9477 12.6860 12.6875 14.0842 14.1003 14.4813 14.4959 18.5130 18.5384 19.7613 19.7674 20.1568 20.1780 22.7348 22.7431 25.0176 25.0266 27.6664 27.6694 k = 0.4910 0.3043 0.5152 ( 908 PWs) bands (ev): -53.8887 -53.8887 -26.3563 -26.3554 -23.1434 -23.1428 -22.7953 -22.7934 7.9481 7.9494 12.6887 12.6917 14.0126 14.0369 14.5461 14.5674 18.4781 18.5270 19.7815 19.7900 20.1514 20.1956 22.7241 22.7406 25.0143 25.0322 27.6646 27.6706 k = 0.4865 0.3121 0.5152 ( 908 PWs) bands (ev): -53.8886 -53.8886 -26.3566 -26.3552 -23.1433 -23.1424 -22.7964 -22.7934 7.9502 7.9521 12.6937 12.6982 13.9264 13.9546 14.6304 14.6540 18.4313 18.5006 19.8158 19.8205 20.1497 20.2200 22.7092 22.7337 25.0118 25.0385 27.6625 27.6716 k = 0.4820 0.3199 0.5152 ( 908 PWs) bands (ev): -53.8886 -53.8886 -26.3569 -26.3551 -23.1432 -23.1420 -22.7976 -22.7937 7.9532 7.9558 12.7010 12.7070 13.8342 13.8646 14.7226 14.7470 18.3753 18.4616 19.8539 19.8607 20.1528 20.2535 22.6901 22.7225 25.0101 25.0453 27.6602 27.6724 k = 0.4775 0.3277 0.5152 ( 908 PWs) bands (ev): -53.8885 -53.8885 -26.3573 -26.3550 -23.1430 -23.1415 -22.7991 -22.7942 7.9571 7.9603 12.7105 12.7179 13.7396 13.7716 14.8185 14.8428 18.3127 18.4128 19.8855 19.9101 20.1642 20.2982 22.6673 22.7072 25.0093 25.0525 27.6577 27.6730 k = 0.4730 0.3355 0.5152 ( 908 PWs) bands (ev): -53.8884 -53.8884 -26.3576 -26.3549 -23.1427 -23.1409 -22.8008 -22.7949 7.9619 7.9658 12.7221 12.7309 13.6441 13.6774 14.9159 14.9399 18.2456 18.3565 19.9121 19.9556 20.1898 20.3554 22.6409 22.6880 25.0091 25.0601 27.6549 27.6735 k = 0.4685 0.3433 0.5152 ( 908 PWs) bands (ev): -53.8883 -53.8883 -26.3580 -26.3548 -23.1423 -23.1403 -22.8026 -22.7957 7.9676 7.9722 12.7358 12.7460 13.5485 13.5831 15.0138 15.0374 18.1755 18.2951 19.9326 19.9884 20.2360 20.4245 22.6112 22.6650 25.0097 25.0679 27.6519 27.6738 k = 0.4640 0.3511 0.5152 ( 912 PWs) bands (ev): -53.8882 -53.8882 -26.3585 -26.3548 -23.1419 -23.1396 -22.8047 -22.7969 7.9741 7.9793 12.7515 12.7628 13.4535 13.4893 15.1117 15.1347 18.1037 18.2303 19.9469 20.0064 20.3032 20.5040 22.5785 22.6388 25.0108 25.0757 27.6485 27.6739 k = 0.4595 0.3589 0.5152 ( 912 PWs) bands (ev): -53.8881 -53.8881 -26.3589 -26.3548 -23.1414 -23.1388 -22.8069 -22.7981 7.9814 7.9873 12.7690 12.7813 13.3593 13.3965 15.2090 15.2314 18.0315 18.1638 19.9563 20.0136 20.3859 20.5921 22.5432 22.6094 25.0124 25.0837 27.6450 27.6739 k = 0.4550 0.3667 0.5152 ( 912 PWs) bands (ev): -53.8879 -53.8879 -26.3593 -26.3549 -23.1409 -23.1379 -22.8093 -22.7996 7.9895 7.9961 12.7883 12.8013 13.2663 13.3051 15.3054 15.3272 17.9594 18.0964 19.9616 20.0144 20.4787 20.6867 22.5057 22.5773 25.0145 25.0915 27.6412 27.6739 k = 0.4505 0.3745 0.5152 ( 914 PWs) bands (ev): -53.8877 -53.8877 -26.3598 -26.3549 -23.1403 -23.1370 -22.8118 -22.8012 7.9984 8.0056 12.8092 12.8224 13.1747 13.2155 15.4007 15.4218 17.8882 18.0291 19.9637 20.0114 20.5780 20.7864 22.4662 22.5429 25.0168 25.0991 27.6372 27.6737 k = 0.4459 0.3823 0.5152 ( 910 PWs) bands (ev): -53.8876 -53.8876 -26.3603 -26.3550 -23.1397 -23.1361 -22.8145 -22.8029 8.0079 8.0158 12.8316 12.8439 13.0846 13.1286 15.4945 15.5150 17.8185 17.9627 19.9635 20.0060 20.6819 20.8900 22.4251 22.5066 25.0194 25.1065 27.6331 27.6737 k = 0.4414 0.3901 0.5152 ( 906 PWs) bands (ev): -53.8874 -53.8874 -26.3608 -26.3551 -23.1390 -23.1350 -22.8172 -22.8047 8.0180 8.0266 12.8551 12.8637 12.9965 13.0463 15.5867 15.6064 17.7507 17.8978 19.9613 19.9990 20.7889 20.9966 22.3829 22.4687 25.0223 25.1137 27.6287 27.6736 k = 0.4369 0.3979 0.5152 ( 902 PWs) bands (ev): -53.8872 -53.8872 -26.3613 -26.3552 -23.1382 -23.1340 -22.8201 -22.8067 8.0287 8.0380 12.8726 12.8791 12.9110 12.9782 15.6770 15.6960 17.6849 17.8346 19.9575 19.9906 20.8980 21.1052 22.3399 22.4295 25.0252 25.1205 27.6240 27.6734 k = 0.4324 0.4057 0.5152 ( 902 PWs) bands (ev): -53.8870 -53.8870 -26.3618 -26.3553 -23.1374 -23.1329 -22.8231 -22.8088 8.0399 8.0499 12.8254 12.8384 12.9061 12.9558 15.7651 15.7834 17.6216 17.7736 19.9523 19.9813 21.0086 21.2153 22.2963 22.3895 25.0281 25.1269 27.6189 27.6732 k = 0.4279 0.4135 0.5152 ( 902 PWs) bands (ev): -53.8868 -53.8868 -26.3623 -26.3555 -23.1366 -23.1318 -22.8262 -22.8110 8.0515 8.0622 12.7436 12.7699 12.9322 12.9707 15.8508 15.8685 17.5610 17.7151 19.9460 19.9712 21.1200 21.3264 22.2526 22.3491 25.0309 25.1328 27.6135 27.6731 k = 0.4234 0.4213 0.5152 ( 898 PWs) bands (ev): -53.8865 -53.8865 -26.3628 -26.3557 -23.1358 -23.1306 -22.8293 -22.8133 8.0635 8.0749 12.6641 12.6954 12.9590 12.9945 15.9340 15.9510 17.5035 17.6596 19.9387 19.9603 21.2319 21.4380 22.2091 22.3086 25.0336 25.1384 27.6080 27.6731 k = 0.4189 0.4291 0.5152 ( 898 PWs) bands (ev): -53.8863 -53.8863 -26.3633 -26.3559 -23.1350 -23.1294 -22.8324 -22.8156 8.0758 8.0879 12.5872 12.6212 12.9861 13.0208 16.0143 16.0307 17.4491 17.6072 19.9306 19.9489 21.3437 21.5496 22.1662 22.2683 25.0362 25.1435 27.6019 27.6731 k = 0.4144 0.4369 0.5152 ( 898 PWs) bands (ev): -53.8861 -53.8861 -26.3639 -26.3561 -23.1341 -23.1283 -22.8356 -22.8180 8.0882 8.1010 12.5129 12.5488 13.0132 13.0480 16.0916 16.1075 17.3981 17.5581 19.9218 19.9370 21.4549 21.6607 22.1242 22.2286 25.0386 25.1481 27.5955 27.6731 k = 0.4099 0.4447 0.5152 ( 898 PWs) bands (ev): -53.8859 -53.8859 -26.3644 -26.3563 -23.1333 -23.1271 -22.8388 -22.8204 8.1008 8.1143 12.4416 12.4789 13.0401 13.0753 16.1656 16.1810 17.3506 17.5124 19.9123 19.9247 21.5652 21.7710 22.0834 22.1898 25.0409 25.1524 27.5886 27.6732 k = 0.4054 0.4525 0.5152 ( 898 PWs) bands (ev): -53.8856 -53.8856 -26.3649 -26.3566 -23.1325 -23.1259 -22.8419 -22.8227 8.1134 8.1275 12.3733 12.4118 13.0666 13.1024 16.2362 16.2511 17.3067 17.4704 19.9024 19.9120 21.6737 21.8799 22.0444 22.1524 25.0429 25.1562 27.5811 27.6734 k = 0.4009 0.4603 0.5152 ( 894 PWs) bands (ev): -53.8854 -53.8854 -26.3654 -26.3568 -23.1316 -23.1248 -22.8450 -22.8251 8.1258 8.1407 12.3082 12.3478 13.0925 13.1289 16.3031 16.3176 17.2667 17.4322 19.8921 19.8991 21.7796 21.9867 22.0082 22.1170 25.0448 25.1597 27.5731 27.6737 k = 0.3964 0.4681 0.5152 ( 898 PWs) bands (ev): -53.8852 -53.8852 -26.3660 -26.3571 -23.1308 -23.1237 -22.8480 -22.8274 8.1381 8.1536 12.2464 12.2869 13.1175 13.1546 16.3662 16.3803 17.2302 17.3977 19.8815 19.8861 21.8778 21.9791 22.0727 22.1016 25.0463 25.1627 27.5642 27.6739 k = 0.3919 0.4759 0.5152 ( 898 PWs) bands (ev): -53.8850 -53.8850 -26.3665 -26.3573 -23.1301 -23.1226 -22.8509 -22.8297 8.1501 8.1663 12.1881 12.2295 13.1414 13.1792 16.4252 16.4391 17.1977 17.3671 19.8707 19.8730 21.9183 22.0071 22.0474 22.1969 25.0477 25.1654 27.5546 27.6741 k = 0.3874 0.4837 0.5152 ( 898 PWs) bands (ev): -53.8848 -53.8848 -26.3669 -26.3576 -23.1293 -23.1216 -22.8538 -22.8319 8.1618 8.1785 12.1335 12.1757 13.1640 13.2025 16.4800 16.4937 17.1689 17.3402 19.8598 19.8599 21.8954 22.0175 22.0976 22.2956 25.0490 25.1679 27.5441 27.6742 k = 0.3829 0.4915 0.5152 ( 898 PWs) bands (ev): -53.8846 -53.8846 -26.3674 -26.3578 -23.1286 -23.1206 -22.8565 -22.8340 8.1729 8.1902 12.0827 12.1256 13.1853 13.2244 16.5305 16.5442 17.1438 17.3172 19.8471 19.8490 21.8680 21.9897 22.1913 22.3908 25.0500 25.1700 27.5325 27.6740 k = 0.3784 0.4993 0.5152 ( 898 PWs) bands (ev): -53.8844 -53.8844 -26.3678 -26.3581 -23.1280 -23.1197 -22.8590 -22.8360 8.1835 8.2013 12.0357 12.0793 13.2049 13.2446 16.5765 16.5902 17.1224 17.2978 19.8345 19.8383 21.8420 21.9641 22.2816 22.4818 25.0509 25.1719 27.5197 27.6735 k = 0.3739 0.5071 0.5152 ( 900 PWs) bands (ev): -53.8842 -53.8842 -26.3683 -26.3583 -23.1274 -23.1188 -22.8614 -22.8378 8.1933 8.2117 11.9929 12.0371 13.2227 13.2630 16.6179 16.6318 17.1044 17.2819 19.8223 19.8280 21.8182 21.9411 22.3672 22.5676 25.0517 25.1736 27.5058 27.6724 k = 0.3694 0.5149 0.5152 ( 900 PWs) bands (ev): -53.8840 -53.8840 -26.3686 -26.3585 -23.1268 -23.1181 -22.8635 -22.8396 8.2024 8.2213 11.9542 11.9990 13.2388 13.2796 16.6548 16.6689 17.0898 17.2693 19.8108 19.8181 21.7971 21.9207 22.4472 22.6476 25.0523 25.1751 27.4906 27.6706 k = 0.3649 0.5227 0.5152 ( 900 PWs) bands (ev): -53.8839 -53.8839 -26.3690 -26.3588 -23.1264 -23.1174 -22.8655 -22.8411 8.2106 8.2299 11.9198 11.9651 13.2529 13.2942 16.6871 16.7014 17.0782 17.2597 19.8000 19.8087 21.7786 21.9030 22.5207 22.7210 25.0528 25.1764 27.4744 27.6678 k = 0.3604 0.5305 0.5152 ( 900 PWs) bands (ev): -53.8837 -53.8837 -26.3693 -26.3590 -23.1259 -23.1168 -22.8672 -22.8425 8.2179 8.2376 11.8898 11.9356 13.2651 13.3067 16.7147 16.7294 17.0694 17.2527 19.7901 19.8002 21.7629 21.8880 22.5868 22.7870 25.0533 25.1775 27.4576 27.6641 k = 0.3559 0.5383 0.5152 ( 896 PWs) bands (ev): -53.8836 -53.8836 -26.3695 -26.3591 -23.1256 -23.1162 -22.8687 -22.8437 8.2241 8.2442 11.8643 11.9105 13.2753 13.3172 16.7378 16.7528 17.0631 17.2480 19.7814 19.7927 21.7500 21.8757 22.6448 22.8449 25.0537 25.1785 27.4406 27.6594 k = 0.3514 0.5461 0.5152 ( 900 PWs) bands (ev): -53.8835 -53.8835 -26.3698 -26.3593 -23.1253 -23.1158 -22.8700 -22.8447 8.2293 8.2497 11.8433 11.8898 13.2834 13.3257 16.7564 16.7717 17.0588 17.2452 19.7738 19.7861 21.7395 21.8657 22.6937 22.8937 25.0539 25.1793 27.4242 27.6538 k = 0.3468 0.5539 0.5152 ( 900 PWs) bands (ev): -53.8834 -53.8834 -26.3700 -26.3594 -23.1251 -23.1155 -22.8710 -22.8455 8.2334 8.2540 11.8270 11.8737 13.2897 13.3322 16.7707 16.7862 17.0563 17.2438 19.7677 19.7807 21.7317 21.8583 22.7328 22.9328 25.0542 25.1799 27.4094 27.6480 k = 0.3423 0.5617 0.5152 ( 900 PWs) bands (ev): -53.8834 -53.8834 -26.3701 -26.3595 -23.1249 -23.1153 -22.8717 -22.8461 8.2363 8.2570 11.8153 11.8622 13.2941 13.3367 16.7807 16.7963 17.0550 17.2434 19.7631 19.7767 21.7264 21.8532 22.7614 22.9613 25.0543 25.1804 27.3975 27.6425 k = 0.3378 0.5695 0.5152 ( 896 PWs) bands (ev): -53.8833 -53.8833 -26.3702 -26.3595 -23.1249 -23.1152 -22.8721 -22.8464 8.2381 8.2589 11.8083 11.8553 13.2967 13.3394 16.7866 16.8023 17.0547 17.2436 19.7603 19.7743 21.7232 21.8503 22.7790 22.9789 25.0544 25.1807 27.3895 27.6385 k = 0.3333 0.5774 0.5152 ( 888 PWs) bands (ev): -53.8833 -53.8833 -26.3702 -26.3595 -23.1248 -23.1151 -22.8722 -22.8465 8.2387 8.2595 11.8061 11.8531 13.2975 13.3402 16.7886 16.8043 17.0547 17.2437 19.7596 19.7737 21.7225 21.8496 22.7850 22.9849 25.0546 25.1810 27.3867 27.6368 k = 0.3333 0.5774 0.5152 ( 888 PWs) bands (ev): -53.8833 -53.8833 -26.3702 -26.3595 -23.1248 -23.1151 -22.8722 -22.8465 8.2387 8.2595 11.8061 11.8531 13.2975 13.3402 16.7886 16.8043 17.0547 17.2437 19.7596 19.7737 21.7225 21.8496 22.7850 22.9849 25.0546 25.1810 27.3867 27.6368 k = 0.3288 0.5694 0.5152 ( 892 PWs) bands (ev): -53.8833 -53.8833 -26.3702 -26.3595 -23.1248 -23.1151 -22.8721 -22.8464 8.2381 8.2589 11.8084 11.8554 13.2967 13.3394 16.7866 16.8024 17.0546 17.2434 19.7604 19.7744 21.7233 21.8503 22.7788 22.9787 25.0545 25.1808 27.3900 27.6389 k = 0.3242 0.5615 0.5152 ( 896 PWs) bands (ev): -53.8834 -53.8834 -26.3701 -26.3595 -23.1249 -23.1153 -22.8716 -22.8460 8.2363 8.2570 11.8155 11.8624 13.2943 13.3369 16.7810 16.7967 17.0539 17.2422 19.7635 19.7771 21.7259 21.8528 22.7604 22.9602 25.0543 25.1803 27.4005 27.6459 k = 0.3196 0.5536 0.5152 ( 904 PWs) bands (ev): -53.8834 -53.8834 -26.3700 -26.3594 -23.1251 -23.1155 -22.8709 -22.8454 8.2334 8.2540 11.8273 11.8740 13.2905 13.3329 16.7718 16.7874 17.0522 17.2397 19.7688 19.7817 21.7299 21.8565 22.7296 22.9294 25.0538 25.1795 27.4188 27.6587 k = 0.3151 0.5457 0.5152 ( 908 PWs) bands (ev): -53.8835 -53.8835 -26.3698 -26.3592 -23.1252 -23.1157 -22.8699 -22.8446 8.2295 8.2498 11.8437 11.8901 13.2854 13.3276 16.7593 16.7749 17.0492 17.2356 19.7764 19.7884 21.7353 21.8614 22.6870 22.8866 25.0532 25.1785 27.4452 27.6780 k = 0.3105 0.5378 0.5152 ( 908 PWs) bands (ev): -53.8837 -53.8837 -26.3695 -26.3590 -23.1254 -23.1160 -22.8686 -22.8435 8.2245 8.2446 11.8646 11.9107 13.2791 13.3211 16.7437 16.7593 17.0446 17.2295 19.7862 19.7970 21.7416 21.8673 22.6333 22.8326 25.0524 25.1770 27.4801 27.7043 k = 0.3059 0.5299 0.5152 ( 904 PWs) bands (ev): -53.8838 -53.8838 -26.3691 -26.3587 -23.1256 -23.1164 -22.8670 -22.8422 8.2187 8.2385 11.8899 11.9357 13.2719 13.3135 16.7253 16.7409 17.0381 17.2212 19.7980 19.8076 21.7487 21.8738 22.5690 22.7679 25.0512 25.1751 27.5230 27.7377 k = 0.3014 0.5220 0.5152 ( 904 PWs) bands (ev): -53.8840 -53.8840 -26.3686 -26.3584 -23.1258 -23.1167 -22.8652 -22.8407 8.2120 8.2314 11.9195 11.9648 13.2636 13.3049 16.7042 16.7200 17.0292 17.2104 19.8119 19.8198 21.7562 21.8807 22.4950 22.6932 25.0495 25.1726 27.5736 27.7781 k = 0.2968 0.5141 0.5152 ( 904 PWs) bands (ev): -53.8843 -53.8843 -26.3681 -26.3580 -23.1260 -23.1171 -22.8630 -22.8389 8.2046 8.2236 11.9533 11.9981 13.2545 13.2954 16.6808 16.6967 17.0180 17.1969 19.8274 19.8336 21.7640 21.8878 22.4121 22.6096 25.0471 25.1694 27.6314 27.8251 k = 0.2922 0.5062 0.5152 ( 904 PWs) bands (ev): -53.8845 -53.8845 -26.3675 -26.3575 -23.1262 -23.1174 -22.8607 -22.8369 8.1966 8.2151 11.9910 12.0353 13.2447 13.2851 16.6552 16.6713 17.0042 17.1807 19.8445 19.8487 21.7716 21.8948 22.3216 22.5178 25.0441 25.1654 27.6959 27.8784 k = 0.2877 0.4983 0.5152 ( 904 PWs) bands (ev): -53.8848 -53.8848 -26.3668 -26.3570 -23.1263 -23.1178 -22.8580 -22.8347 8.1880 8.2060 12.0325 12.0762 13.2342 13.2742 16.6278 16.6441 16.9877 17.1617 19.8627 19.8649 21.7789 21.9016 22.2244 22.4191 25.0402 25.1605 27.7662 27.9375 k = 0.2831 0.4904 0.5152 ( 904 PWs) bands (ev): -53.8852 -53.8852 -26.3660 -26.3564 -23.1265 -23.1181 -22.8552 -22.8323 8.1790 8.1965 12.0778 12.1208 13.2232 13.2626 16.5987 16.6153 16.9687 17.1399 19.8818 19.8818 21.7853 21.9079 22.1218 22.3144 25.0353 25.1545 27.8419 28.0019 k = 0.2785 0.4824 0.5152 ( 908 PWs) bands (ev): -53.8856 -53.8856 -26.3652 -26.3557 -23.1266 -23.1184 -22.8521 -22.8297 8.1696 8.1866 12.1265 12.1689 13.2115 13.2504 16.5682 16.5850 16.9470 17.1154 19.8991 19.9011 21.7897 21.9134 22.0159 22.2048 25.0292 25.1473 27.9221 28.0711 k = 0.2740 0.4745 0.5152 ( 908 PWs) bands (ev): -53.8860 -53.8860 -26.3643 -26.3550 -23.1266 -23.1187 -22.8488 -22.8269 8.1601 8.1765 12.1786 12.2203 13.1994 13.2377 16.5364 16.5537 16.9228 17.0883 19.9163 19.9205 21.7877 21.9121 21.9177 22.0918 25.0218 25.1386 28.0064 28.1446 k = 0.2694 0.4666 0.5152 ( 908 PWs) bands (ev): -53.8864 -53.8864 -26.3632 -26.3541 -23.1266 -23.1189 -22.8454 -22.8239 8.1503 8.1662 12.2340 12.2748 13.1869 13.2245 16.5037 16.5213 16.8963 17.0588 19.9330 19.9393 21.7489 21.8414 21.9161 21.9808 25.0129 25.1285 28.0940 28.2218 k = 0.2648 0.4587 0.5152 ( 908 PWs) bands (ev): -53.8869 -53.8869 -26.3621 -26.3533 -23.1265 -23.1190 -22.8417 -22.8207 8.1406 8.1559 12.2923 12.3324 13.1739 13.2109 16.4702 16.4882 16.8676 17.0271 19.9487 19.9569 21.6499 21.8283 21.8455 21.9359 25.0023 25.1166 28.1844 28.3023 k = 0.2603 0.4508 0.5152 ( 908 PWs) bands (ev): -53.8874 -53.8874 -26.3610 -26.3523 -23.1264 -23.1191 -22.8378 -22.8174 8.1309 8.1456 12.3536 12.3927 13.1604 13.1969 16.4361 16.4545 16.8369 16.9933 19.9628 19.9727 21.5359 21.7284 21.8284 21.9355 24.9897 25.1027 28.2771 28.3857 k = 0.2557 0.4429 0.5152 ( 908 PWs) bands (ev): -53.8880 -53.8880 -26.3597 -26.3512 -23.1261 -23.1190 -22.8338 -22.8139 8.1213 8.1354 12.4175 12.4557 13.1465 13.1824 16.4016 16.4204 16.8044 16.9577 19.9745 19.9859 21.4193 21.6083 21.8304 21.9369 24.9752 25.0868 28.3715 28.4713 k = 0.2511 0.4350 0.5152 ( 908 PWs) bands (ev): -53.8886 -53.8886 -26.3583 -26.3501 -23.1258 -23.1189 -22.8295 -22.8102 8.1120 8.1255 12.4840 12.5211 13.1321 13.1674 16.3669 16.3860 16.7704 16.9207 19.9832 19.9955 21.3033 21.4885 21.8324 21.9379 24.9584 25.0687 28.4671 28.5589 k = 0.2466 0.4271 0.5152 ( 908 PWs) bands (ev): -53.8892 -53.8892 -26.3569 -26.3489 -23.1254 -23.1188 -22.8252 -22.8064 8.1029 8.1158 12.5529 12.5888 13.1171 13.1520 16.3321 16.3516 16.7352 16.8823 19.9880 20.0005 21.1896 21.3707 21.8341 21.9383 24.9393 25.0481 28.5635 28.6478 k = 0.2420 0.4192 0.5152 ( 912 PWs) bands (ev): -53.8899 -53.8899 -26.3554 -26.3477 -23.1249 -23.1185 -22.8206 -22.8025 8.0941 8.1065 12.6240 12.6585 13.1015 13.1362 16.2974 16.3172 16.6989 16.8430 19.9876 19.9993 21.0801 21.2561 21.8350 21.9379 24.9175 25.0249 28.6601 28.7376 k = 0.2374 0.4113 0.5152 ( 912 PWs) bands (ev): -53.8906 -53.8906 -26.3538 -26.3464 -23.1244 -23.1181 -22.8160 -22.7984 8.0858 8.0976 12.6972 12.7299 13.0852 13.1201 16.2629 16.2831 16.6620 16.8030 19.9808 19.9903 20.9769 21.1464 21.8353 21.9368 24.8932 24.9991 28.7567 28.8280 k = 0.2329 0.4034 0.5152 ( 912 PWs) bands (ev): -53.8913 -53.8913 -26.3522 -26.3450 -23.1237 -23.1177 -22.8111 -22.7942 8.0779 8.0891 12.7723 12.8025 13.0682 13.1039 16.2287 16.2493 16.6247 16.7627 19.9662 19.9715 20.8822 21.0434 21.8350 21.9350 24.8662 24.9706 28.8526 28.9183 k = 0.2283 0.3954 0.5152 ( 916 PWs) bands (ev): -53.8921 -53.8921 -26.3505 -26.3435 -23.1230 -23.1171 -22.8062 -22.7898 8.0704 8.0811 12.8492 12.8752 13.0503 13.0884 16.1951 16.2160 16.5872 16.7222 19.9407 19.9419 20.7982 20.9489 21.8339 21.9325 24.8363 24.9392 28.9474 29.0081 k = 0.2237 0.3875 0.5152 ( 912 PWs) bands (ev): -53.8929 -53.8929 -26.3486 -26.3419 -23.1221 -23.1165 -22.8011 -22.7853 8.0635 8.0737 12.9277 12.9443 13.0316 13.0773 16.1621 16.1832 16.5500 16.6820 19.8966 19.9066 20.7269 20.8646 21.8325 21.9295 24.8036 24.9050 29.0408 29.0971 k = 0.2192 0.3796 0.5152 ( 912 PWs) bands (ev): -53.8937 -53.8937 -26.3468 -26.3403 -23.1212 -23.1157 -22.7959 -22.7807 8.0572 8.0668 12.9926 13.0069 13.0125 13.0874 16.1298 16.1512 16.5133 16.6423 19.8385 19.8593 20.6689 20.7918 21.8304 21.9259 24.7680 24.8678 29.1322 29.1846 k = 0.2146 0.3717 0.5152 ( 912 PWs) bands (ev): -53.8946 -53.8946 -26.3448 -26.3387 -23.1201 -23.1149 -22.7906 -22.7760 8.0514 8.0605 12.9905 12.9969 13.0891 13.1415 16.0983 16.1199 16.4774 16.6033 19.7674 19.7996 20.6235 20.7310 21.8279 21.9219 24.7294 24.8277 29.2213 29.2701 k = 0.2100 0.3638 0.5152 ( 912 PWs) bands (ev): -53.8955 -53.8955 -26.3428 -26.3369 -23.1190 -23.1140 -22.7852 -22.7712 8.0462 8.0548 12.9682 12.9812 13.1716 13.2157 16.0678 16.0895 16.4426 16.5655 19.6851 19.7283 20.5890 20.6815 21.8250 21.9176 24.6878 24.7846 29.3075 29.3533 k = 0.2055 0.3559 0.5152 ( 912 PWs) bands (ev): -53.8964 -53.8964 -26.3408 -26.3351 -23.1178 -23.1130 -22.7797 -22.7663 8.0416 8.0497 12.9445 12.9596 13.2551 13.2953 16.0383 16.0600 16.4092 16.5290 19.5941 19.6470 20.5631 20.6420 21.8219 21.9130 24.6434 24.7387 29.3905 29.4335 k = 0.2009 0.3480 0.5152 ( 912 PWs) bands (ev): -53.8973 -53.8973 -26.3387 -26.3333 -23.1165 -23.1119 -22.7741 -22.7613 8.0377 8.0453 12.9193 12.9351 13.3396 13.3773 16.0100 16.0316 16.3774 16.4941 19.4970 19.5577 20.5434 20.6106 21.8186 21.9083 24.5962 24.6899 29.4699 29.5105 k = 0.1963 0.3401 0.5152 ( 912 PWs) bands (ev): -53.8983 -53.8983 -26.3365 -26.3314 -23.1152 -23.1107 -22.7684 -22.7562 8.0343 8.0415 12.8925 12.9083 13.4248 13.4606 15.9828 16.0043 16.3476 16.4612 19.3958 19.4625 20.5282 20.5855 21.8153 21.9036 24.5461 24.6383 29.5453 29.5837 k = 0.1918 0.3322 0.5152 ( 912 PWs) bands (ev): -53.8993 -53.8993 -26.3343 -26.3295 -23.1137 -23.1095 -22.7626 -22.7510 8.0316 8.0383 12.8640 12.8795 13.5105 13.5449 15.9569 15.9782 16.3199 16.4303 19.2921 19.3631 20.5158 20.5650 21.8120 21.8990 24.4935 24.5841 29.6163 29.6527 k = 0.1872 0.3243 0.5152 ( 912 PWs) bands (ev): -53.9003 -53.9003 -26.3321 -26.3275 -23.1122 -23.1082 -22.7567 -22.7457 8.0294 8.0357 12.8337 12.8487 13.5968 13.6298 15.9323 15.9533 16.2946 16.4018 19.1873 19.2612 20.5053 20.5477 21.8089 21.8946 24.4382 24.5273 29.6826 29.7171 k = 0.1826 0.3164 0.5152 ( 908 PWs) bands (ev): -53.9013 -53.9013 -26.3298 -26.3255 -23.1107 -23.1068 -22.7508 -22.7403 8.0279 8.0338 12.8016 12.8160 13.6833 13.7151 15.9091 15.9297 16.2719 16.3759 19.0823 19.1579 20.4958 20.5327 21.8062 21.8905 24.3806 24.4682 29.7439 29.7767 k = 0.1781 0.3084 0.5152 ( 910 PWs) bands (ev): -53.9023 -53.9023 -26.3275 -26.3234 -23.1091 -23.1054 -22.7448 -22.7349 8.0269 8.0324 12.7676 12.7814 13.7700 13.8007 15.8873 15.9075 16.2520 16.3526 18.9778 19.0542 20.4868 20.5189 21.8037 21.8867 24.3207 24.4067 29.7998 29.8310 k = 0.1735 0.3005 0.5152 ( 914 PWs) bands (ev): -53.9034 -53.9034 -26.3252 -26.3214 -23.1074 -23.1040 -22.7387 -22.7294 8.0265 8.0317 12.7317 12.7448 13.8567 13.8862 15.8670 15.8866 16.2348 16.3320 18.8743 18.9509 20.4776 20.5059 21.8017 21.8834 24.2586 24.3431 29.8501 29.8797 k = 0.1689 0.2926 0.5152 ( 924 PWs) bands (ev): -53.9045 -53.9045 -26.3229 -26.3193 -23.1058 -23.1025 -22.7327 -22.7239 8.0267 8.0314 12.6939 12.7063 13.9431 13.9716 15.8482 15.8671 16.2205 16.3144 18.7722 18.8483 20.4682 20.4932 21.8003 21.8808 24.1946 24.2775 29.8947 29.9227 k = 0.1644 0.2847 0.5152 ( 920 PWs) bands (ev): -53.9056 -53.9056 -26.3205 -26.3172 -23.1040 -23.1009 -22.7265 -22.7183 8.0273 8.0318 12.6544 12.6660 14.0294 14.0568 15.8309 15.8491 16.2097 16.3002 18.6721 18.7472 20.4586 20.4807 21.7996 21.8789 24.1288 24.2102 29.9335 29.9601 k = 0.1598 0.2768 0.5152 ( 920 PWs) bands (ev): -53.9066 -53.9066 -26.3182 -26.3151 -23.1023 -23.0994 -22.7204 -22.7126 8.0285 8.0326 12.6131 12.6240 14.1152 14.1415 15.8152 15.8326 16.2019 16.2889 18.5740 18.6478 20.4483 20.4680 21.7997 21.8777 24.0615 24.1413 29.9663 29.9914 k = 0.1553 0.2689 0.5152 ( 920 PWs) bands (ev): -53.9077 -53.9077 -26.3158 -26.3129 -23.1005 -23.0978 -22.7142 -22.7070 8.0301 8.0339 12.5700 12.5802 14.2004 14.2256 15.8011 15.8176 16.1972 16.2809 18.4781 18.5504 20.4374 20.4549 21.8007 21.8775 23.9927 24.0710 29.9929 30.0166 k = 0.1507 0.2610 0.5152 ( 920 PWs) bands (ev): -53.9088 -53.9088 -26.3134 -26.3108 -23.0987 -23.0962 -22.7079 -22.7013 8.0322 8.0357 12.5254 12.5349 14.2849 14.3090 15.7884 15.8041 16.1958 16.2760 18.3847 18.4552 20.4258 20.4414 21.8027 21.8782 23.9227 23.9994 30.0136 30.0357 k = 0.1461 0.2531 0.5152 ( 912 PWs) bands (ev): -53.9099 -53.9099 -26.3111 -26.3086 -23.0969 -23.0945 -22.7017 -22.6955 8.0347 8.0379 12.4792 12.4881 14.3685 14.3915 15.7775 15.7923 16.1975 16.2743 18.2941 18.3625 20.4135 20.4274 21.8058 21.8800 23.8518 23.9270 30.0282 30.0489 k = 0.1416 0.2452 0.5152 ( 912 PWs) bands (ev): -53.9110 -53.9110 -26.3087 -26.3064 -23.0951 -23.0929 -22.6955 -22.6898 8.0376 8.0405 12.4318 12.4400 14.4510 14.4730 15.7680 15.7818 16.2022 16.2756 18.2059 18.2722 20.4003 20.4128 21.8099 21.8828 23.7800 23.8536 30.0370 30.0562 k = 0.1370 0.2373 0.5152 ( 912 PWs) bands (ev): -53.9121 -53.9121 -26.3064 -26.3043 -23.0933 -23.0913 -22.6893 -22.6840 8.0408 8.0434 12.3832 12.3907 14.5323 14.5531 15.7599 15.7729 16.2098 16.2800 18.1204 18.1845 20.3865 20.3977 21.8151 21.8868 23.7075 23.7795 30.0399 30.0577 k = 0.1324 0.2294 0.5152 ( 908 PWs) bands (ev): -53.9131 -53.9131 -26.3041 -26.3022 -23.0915 -23.0896 -22.6831 -22.6783 8.0442 8.0466 12.3336 12.3405 14.6123 14.6320 15.7533 15.7653 16.2204 16.2872 18.0380 18.0998 20.3720 20.3819 21.8217 21.8920 23.6347 23.7051 30.0375 30.0539 k = 0.1279 0.2214 0.5152 ( 908 PWs) bands (ev): -53.9142 -53.9142 -26.3018 -26.3001 -23.0898 -23.0880 -22.6770 -22.6726 8.0480 8.0502 12.2832 12.2896 14.6907 14.7093 15.7482 15.7592 16.2336 16.2972 17.9583 18.0177 20.3568 20.3656 21.8294 21.8983 23.5617 23.6304 30.0297 30.0447 k = 0.1233 0.2135 0.5152 ( 908 PWs) bands (ev): -53.9153 -53.9153 -26.2996 -26.2980 -23.0880 -23.0865 -22.6709 -22.6669 8.0520 8.0540 12.2323 12.2380 14.7675 14.7849 15.7445 15.7546 16.2494 16.3099 17.8814 17.9384 20.3409 20.3487 21.8385 21.9059 23.4887 23.5558 30.0169 30.0306 k = 0.1187 0.2056 0.5152 ( 908 PWs) bands (ev): -53.9163 -53.9163 -26.2974 -26.2959 -23.0863 -23.0849 -22.6649 -22.6613 8.0562 8.0580 12.1810 12.1862 14.8425 14.8588 15.7421 15.7513 16.2675 16.3250 17.8073 17.8619 20.3244 20.3314 21.8488 21.9148 23.4160 23.4813 29.9995 30.0119 k = 0.1142 0.1977 0.5152 ( 908 PWs) bands (ev): -53.9174 -53.9174 -26.2952 -26.2939 -23.0846 -23.0833 -22.6590 -22.6557 8.0606 8.0622 12.1295 12.1342 14.9156 14.9307 15.7411 15.7494 16.2879 16.3423 17.7363 17.7884 20.3074 20.3135 21.8605 21.9248 23.3436 23.4073 29.9779 29.9890 k = 0.1096 0.1898 0.5152 ( 908 PWs) bands (ev): -53.9184 -53.9184 -26.2931 -26.2920 -23.0830 -23.0818 -22.6532 -22.6502 8.0651 8.0665 12.0781 12.0823 14.9866 15.0005 15.7413 15.7487 16.3102 16.3616 17.6684 17.7180 20.2898 20.2952 21.8734 21.9361 23.2719 23.3338 29.9523 29.9623 k = 0.1050 0.1819 0.5152 ( 912 PWs) bands (ev): -53.9194 -53.9194 -26.2911 -26.2901 -23.0814 -23.0804 -22.6474 -22.6448 8.0697 8.0710 12.0270 12.0307 15.0553 15.0680 15.7426 15.7492 16.3342 16.3828 17.6033 17.6505 20.2719 20.2766 21.8874 21.9484 23.2011 23.2611 29.9234 29.9322 k = 0.1005 0.1740 0.5152 ( 916 PWs) bands (ev): -53.9203 -53.9203 -26.2891 -26.2882 -23.0799 -23.0790 -22.6418 -22.6395 8.0744 8.0755 11.9763 11.9796 15.1217 15.1333 15.7449 15.7508 16.3597 16.4055 17.5414 17.5861 20.2535 20.2576 21.9027 21.9619 23.1313 23.1895 29.8914 29.8992 k = 0.0959 0.1661 0.5152 ( 920 PWs) bands (ev): -53.9213 -53.9213 -26.2872 -26.2864 -23.0784 -23.0776 -22.6364 -22.6343 8.0791 8.0800 11.9264 11.9293 15.1857 15.1960 15.7485 15.7536 16.3865 16.4295 17.4824 17.5247 20.2349 20.2384 21.9192 21.9764 23.0628 23.1190 29.8569 29.8637 k = 0.0913 0.1582 0.5152 ( 920 PWs) bands (ev): -53.9222 -53.9222 -26.2853 -26.2846 -23.0769 -23.0762 -22.6310 -22.6292 8.0838 8.0846 11.8773 11.8798 15.2471 15.2563 15.7531 15.7574 16.4143 16.4547 17.4267 17.4665 20.2160 20.2191 21.9367 21.9920 22.9958 23.0501 29.8203 29.8262 k = 0.0868 0.1503 0.5152 ( 920 PWs) bands (ev): -53.9231 -53.9231 -26.2835 -26.2829 -23.0755 -23.0749 -22.6258 -22.6243 8.0885 8.0892 11.8294 11.8316 15.3058 15.3139 15.7585 15.7621 16.4429 16.4806 17.3740 17.4113 20.1971 20.1997 21.9552 22.0084 22.9305 22.9827 29.7821 29.7871 k = 0.0822 0.1424 0.5152 ( 920 PWs) bands (ev): -53.9239 -53.9239 -26.2818 -26.2813 -23.0742 -23.0737 -22.6208 -22.6195 8.0931 8.0937 11.7827 11.7846 15.3617 15.3687 15.7647 15.7677 16.4719 16.5071 17.3245 17.3594 20.1781 20.1803 21.9744 22.0255 22.8671 22.9172 29.7427 29.7470 k = 0.0776 0.1345 0.5152 ( 916 PWs) bands (ev): -53.9248 -53.9248 -26.2801 -26.2797 -23.0729 -23.0725 -22.6160 -22.6149 8.0977 8.0982 11.7376 11.7392 15.4147 15.4207 15.7718 15.7742 16.5012 16.5337 17.2782 17.3106 20.1593 20.1611 21.9945 22.0433 22.8059 22.8538 29.7026 29.7062 k = 0.0731 0.1265 0.5152 ( 916 PWs) bands (ev): -53.9255 -53.9255 -26.2785 -26.2782 -23.0717 -23.0713 -22.6113 -22.6104 8.1021 8.1025 11.6940 11.6954 15.4647 15.4697 15.7794 15.7812 16.5302 16.5602 17.2351 17.2650 20.1406 20.1421 22.0149 22.0614 22.7470 22.7926 29.6621 29.6651 k = 0.0685 0.1186 0.5152 ( 916 PWs) bands (ev): -53.9263 -53.9263 -26.2770 -26.2767 -23.0706 -23.0703 -22.6069 -22.6061 8.1064 8.1067 11.6523 11.6534 15.5117 15.5157 15.7876 15.7889 16.5588 16.5862 17.1953 17.2228 20.1221 20.1233 22.0357 22.0798 22.6905 22.7338 29.6218 29.6243 k = 0.0639 0.1107 0.5152 ( 916 PWs) bands (ev): -53.9270 -53.9270 -26.2756 -26.2754 -23.0695 -23.0693 -22.6027 -22.6021 8.1105 8.1108 11.6125 11.6135 15.5554 15.5586 15.7963 15.7970 16.5866 16.6114 17.1590 17.1839 20.1039 20.1049 22.0567 22.0983 22.6369 22.6777 29.5821 29.5841 k = 0.0594 0.1028 0.5152 ( 916 PWs) bands (ev): -53.9277 -53.9277 -26.2743 -26.2741 -23.0685 -23.0683 -22.5987 -22.5982 8.1144 8.1147 11.5749 11.5756 15.5959 15.5983 15.8053 15.8057 16.6132 16.6354 17.1261 17.1484 20.0863 20.0871 22.0776 22.1166 22.5861 22.6244 29.5433 29.5449 k = 0.0548 0.0949 0.5152 ( 916 PWs) bands (ev): -53.9283 -53.9283 -26.2731 -26.2729 -23.0676 -23.0674 -22.5950 -22.5946 8.1182 8.1183 11.5395 11.5401 15.6330 15.6347 15.8146 15.8147 16.6382 16.6579 17.0968 17.1165 20.0693 20.0699 22.0983 22.1345 22.5384 22.5742 29.5058 29.5070 k = 0.0502 0.0870 0.5152 ( 916 PWs) bands (ev): -53.9289 -53.9289 -26.2719 -26.2718 -23.0667 -23.0666 -22.5916 -22.5912 8.1217 8.1218 11.5065 11.5069 15.6667 15.6678 15.8240 15.8243 16.6613 16.6783 17.0713 17.0884 20.0531 20.0535 22.1184 22.1519 22.4941 22.5271 29.4700 29.4710 k = 0.0457 0.0791 0.5152 ( 916 PWs) bands (ev): -53.9294 -53.9294 -26.2709 -26.2708 -23.0659 -23.0658 -22.5884 -22.5881 8.1249 8.1250 11.4759 11.4762 15.6968 15.6974 15.8336 15.8341 16.6820 16.6963 17.0497 17.0640 20.0376 20.0380 22.1378 22.1684 22.4532 22.4834 29.4361 29.4368 k = 0.0411 0.0712 0.5152 ( 912 PWs) bands (ev): -53.9299 -53.9299 -26.2699 -26.2698 -23.0652 -23.0651 -22.5854 -22.5852 8.1279 8.1280 11.4480 11.4482 15.7233 15.7236 15.8435 15.8440 16.7002 16.7118 17.0321 17.0438 20.0233 20.0235 22.1562 22.1838 22.4161 22.4434 29.4046 29.4051 k = 0.0365 0.0633 0.5152 ( 912 PWs) bands (ev): -53.9303 -53.9303 -26.2690 -26.2690 -23.0646 -23.0645 -22.5828 -22.5826 8.1306 8.1307 11.4227 11.4229 15.7462 15.7462 15.8534 15.8540 16.7152 16.7242 17.0184 17.0273 20.0100 20.0101 22.1734 22.1978 22.3829 22.4071 29.3756 29.3760 k = 0.0320 0.0554 0.5152 ( 916 PWs) bands (ev): -53.9307 -53.9307 -26.2683 -26.2683 -23.0640 -23.0640 -22.5804 -22.5804 8.1330 8.1331 11.4002 11.4003 15.7654 15.7655 15.8633 15.8638 16.7271 16.7335 17.0082 17.0147 19.9978 19.9979 22.1890 22.2101 22.3539 22.3749 29.3493 29.3496 k = 0.0274 0.0475 0.5152 ( 916 PWs) bands (ev): -53.9311 -53.9311 -26.2676 -26.2676 -23.0635 -23.0635 -22.5784 -22.5783 8.1352 8.1352 11.3805 11.3806 15.7813 15.7815 15.8729 15.8733 16.7358 16.7401 17.0015 17.0058 19.9871 19.9871 22.2028 22.2203 22.3294 22.3468 29.3262 29.3263 k = 0.0228 0.0395 0.5152 ( 912 PWs) bands (ev): -53.9313 -53.9313 -26.2671 -26.2670 -23.0631 -23.0631 -22.5766 -22.5766 8.1370 8.1370 11.3638 11.3639 15.7942 15.7943 15.8820 15.8823 16.7419 16.7444 16.9976 17.0002 19.9778 19.9778 22.2143 22.2280 22.3099 22.3234 29.3062 29.3063 k = 0.0183 0.0316 0.5152 ( 912 PWs) bands (ev): -53.9316 -53.9316 -26.2666 -26.2666 -23.0628 -23.0628 -22.5752 -22.5752 8.1385 8.1385 11.3500 11.3501 15.8042 15.8042 15.8900 15.8901 16.7456 16.7469 16.9957 16.9970 19.9700 19.9700 22.2231 22.2324 22.2958 22.3050 29.2897 29.2897 k = 0.0137 0.0237 0.5152 ( 912 PWs) bands (ev): -53.9318 -53.9318 -26.2662 -26.2662 -23.0625 -23.0625 -22.5741 -22.5741 8.1396 8.1396 11.3393 11.3393 15.8116 15.8116 15.8965 15.8966 16.7476 16.7482 16.9950 16.9956 19.9639 19.9639 22.2286 22.2334 22.2873 22.2921 29.2767 29.2767 k = 0.0091 0.0158 0.5152 ( 912 PWs) bands (ev): -53.9319 -53.9319 -26.2660 -26.2660 -23.0623 -23.0623 -22.5733 -22.5733 8.1405 8.1405 11.3316 11.3316 15.8167 15.8167 15.9014 15.9014 16.7485 16.7487 16.9949 16.9951 19.9595 19.9595 22.2307 22.2323 22.2831 22.2847 29.2673 29.2673 k = 0.0046 0.0079 0.5152 ( 912 PWs) bands (ev): -53.9320 -53.9320 -26.2658 -26.2658 -23.0622 -23.0622 -22.5728 -22.5728 8.1410 8.1410 11.3269 11.3269 15.8197 15.8197 15.9044 15.9044 16.7489 16.7489 16.9951 16.9951 19.9568 19.9568 22.2306 22.2309 22.2814 22.2816 29.2616 29.2616 k = 0.0000 0.0000 0.5152 ( 912 PWs) bands (ev): -53.9320 -53.9320 -26.2658 -26.2658 -23.0622 -23.0622 -22.5726 -22.5726 8.1412 8.1412 11.3254 11.3254 15.8207 15.8207 15.9054 15.9054 16.7489 16.7489 16.9951 16.9951 19.9559 19.9559 22.2303 22.2303 22.2809 22.2809 29.2597 29.2597 k = 0.5000 0.2887 0.5152 ( 912 PWs) bands (ev): -53.8887 -53.8887 -26.3558 -26.3558 -23.1433 -23.1433 -22.7939 -22.7939 7.9469 7.9469 12.6855 12.6855 14.1204 14.1204 14.4600 14.4600 18.5337 18.5337 19.7568 19.7568 20.1654 20.1654 22.7412 22.7412 25.0216 25.0216 27.6680 27.6680 k = 0.5000 0.2887 0.5060 ( 906 PWs) bands (ev): -53.8887 -53.8887 -26.3557 -26.3557 -23.1431 -23.1431 -22.7939 -22.7939 7.9468 7.9477 12.6802 12.6871 14.1220 14.1222 14.4561 14.4665 18.5305 18.5324 19.7563 19.7568 20.1566 20.1710 22.7329 22.7515 25.0167 25.0190 27.6700 27.6701 k = 0.5000 0.2887 0.4968 ( 906 PWs) bands (ev): -53.8888 -53.8888 -26.3555 -26.3555 -23.1426 -23.1426 -22.7940 -22.7940 7.9474 7.9492 12.6710 12.6847 14.1265 14.1267 14.4547 14.4753 18.5230 18.5267 19.7550 19.7560 20.1444 20.1729 22.7265 22.7635 25.0039 25.0086 27.6761 27.6763 k = 0.5000 0.2887 0.4876 ( 906 PWs) bands (ev): -53.8890 -53.8890 -26.3551 -26.3551 -23.1419 -23.1418 -22.7941 -22.7941 7.9487 7.9514 12.6583 12.6785 14.1339 14.1343 14.4557 14.4864 18.5110 18.5167 19.7532 19.7545 20.1291 20.1713 22.7221 22.7770 24.9835 24.9906 27.6863 27.6865 k = 0.5000 0.2887 0.4784 ( 906 PWs) bands (ev): -53.8891 -53.8891 -26.3546 -26.3545 -23.1408 -23.1408 -22.7943 -22.7943 7.9507 7.9543 12.6422 12.6686 14.1444 14.1450 14.4590 14.4992 18.4946 18.5022 19.7507 19.7521 20.1113 20.1663 22.7199 22.7918 24.9556 24.9650 27.7007 27.7008 k = 0.5000 0.2887 0.4692 ( 906 PWs) bands (ev): -53.8894 -53.8894 -26.3539 -26.3539 -23.1395 -23.1394 -22.7945 -22.7945 7.9534 7.9579 12.6231 12.6552 14.1578 14.1586 14.4643 14.5136 18.4740 18.4836 19.7476 19.7490 20.0913 20.1582 22.7196 22.8077 24.9204 24.9321 27.7192 27.7194 k = 0.5000 0.2887 0.4600 ( 908 PWs) bands (ev): -53.8897 -53.8897 -26.3531 -26.3531 -23.1379 -23.1377 -22.7948 -22.7947 7.9567 7.9621 12.6013 12.6385 14.1742 14.1752 14.4713 14.5292 18.4492 18.4607 19.7440 19.7449 20.0696 20.1471 22.7214 22.8245 24.8780 24.8919 27.7417 27.7423 k = 0.5000 0.2887 0.4508 ( 910 PWs) bands (ev): -53.8900 -53.8900 -26.3521 -26.3521 -23.1359 -23.1358 -22.7950 -22.7950 7.9606 7.9669 12.5772 12.6190 14.1936 14.1948 14.4796 14.5454 18.4202 18.4337 19.7397 19.7399 20.0469 20.1336 22.7251 22.8420 24.8286 24.8449 27.7683 27.7695 k = 0.5000 0.2887 0.4416 ( 908 PWs) bands (ev): -53.8904 -53.8904 -26.3510 -26.3510 -23.1337 -23.1336 -22.7954 -22.7953 7.9650 7.9723 12.5512 12.5970 14.2159 14.2174 14.4888 14.5619 18.3872 18.4027 19.7340 19.7350 20.0238 20.1184 22.7307 22.8600 24.7727 24.7911 27.7992 27.8012 k = 0.5000 0.2887 0.4324 ( 908 PWs) bands (ev): -53.8908 -53.8908 -26.3498 -26.3498 -23.1312 -23.1311 -22.7957 -22.7957 7.9699 7.9782 12.5236 12.5728 14.2412 14.2430 14.4985 14.5781 18.3504 18.3678 19.7270 19.7297 20.0008 20.1017 22.7378 22.8782 24.7103 24.7310 27.8342 27.8372 k = 0.5000 0.2887 0.4232 ( 912 PWs) bands (ev): -53.8913 -53.8913 -26.3485 -26.3484 -23.1285 -23.1283 -22.7961 -22.7961 7.9753 7.9845 12.4948 12.5468 14.2694 14.2715 14.5081 14.5938 18.3097 18.3292 19.7190 19.7239 19.9786 20.0842 22.7464 22.8965 24.6418 24.6647 27.8733 27.8775 k = 0.5000 0.2887 0.4140 ( 912 PWs) bands (ev): -53.8918 -53.8918 -26.3470 -26.3469 -23.1255 -23.1253 -22.7966 -22.7965 7.9810 7.9912 12.4652 12.5194 14.3005 14.3029 14.5173 14.6084 18.2655 18.2869 19.7101 19.7176 19.9577 20.0665 22.7564 22.9148 24.5676 24.5927 27.9166 27.9223 k = 0.5000 0.2887 0.4048 ( 912 PWs) bands (ev): -53.8924 -53.8924 -26.3454 -26.3453 -23.1223 -23.1221 -22.7970 -22.7970 7.9871 7.9982 12.4351 12.4911 14.3345 14.3372 14.5257 14.6217 18.2178 18.2412 19.7003 19.7108 19.9385 20.0492 22.7675 22.9331 24.4879 24.5152 27.9639 27.9713 k = 0.5000 0.2887 0.3956 ( 912 PWs) bands (ev): -53.8930 -53.8930 -26.3437 -26.3436 -23.1188 -23.1186 -22.7975 -22.7974 7.9934 8.0055 12.4048 12.4620 14.3712 14.3742 14.5329 14.6333 18.1667 18.1921 19.6900 19.7035 19.9214 20.0328 22.7798 22.9511 24.4031 24.4325 28.0152 28.0246 k = 0.5000 0.2887 0.3864 ( 908 PWs) bands (ev): -53.8936 -53.8936 -26.3418 -26.3418 -23.1151 -23.1148 -22.7980 -22.7979 7.9999 8.0129 12.3747 12.4327 14.4105 14.4139 14.5389 14.6431 18.1126 18.1398 19.6793 19.6957 19.9067 20.0181 22.7930 22.9689 24.3136 24.3451 28.0704 28.0820 k = 0.5000 0.2887 0.3772 ( 908 PWs) bands (ev): -53.8943 -53.8943 -26.3399 -26.3399 -23.1112 -23.1109 -22.7984 -22.7984 8.0064 8.0205 12.3449 12.4033 14.4519 14.4559 14.5438 14.6510 18.0554 18.0844 19.6686 19.6875 19.8943 20.0051 22.8070 22.9865 24.2195 24.2532 28.1293 28.1434 k = 0.5000 0.2887 0.3680 ( 912 PWs) bands (ev): -53.8950 -53.8950 -26.3380 -26.3379 -23.1071 -23.1068 -22.7989 -22.7989 8.0130 8.0280 12.3158 12.3742 14.4934 14.4998 14.5492 14.6572 17.9954 18.0261 19.6582 19.6788 19.8842 19.9945 22.8215 23.0036 24.1212 24.1570 28.1916 28.2084 k = 0.5000 0.2887 0.3588 ( 912 PWs) bands (ev): -53.8958 -53.8958 -26.3359 -26.3358 -23.1028 -23.1025 -22.7994 -22.7994 8.0195 8.0356 12.2875 12.3456 14.5234 14.5443 14.5666 14.6630 17.9327 17.9650 19.6486 19.6697 19.8766 19.9868 22.8369 23.0206 24.0190 24.0570 28.2572 28.2771 k = 0.5000 0.2887 0.3496 ( 908 PWs) bands (ev): -53.8965 -53.8965 -26.3337 -26.3336 -23.0983 -23.0980 -22.7999 -22.7998 8.0259 8.0429 12.2604 12.3178 14.5294 14.5851 14.6086 14.6725 17.8675 17.9013 19.6398 19.6602 19.8715 19.9821 22.8529 23.0374 23.9134 23.9537 28.3260 28.3491 k = 0.5000 0.2887 0.3404 ( 912 PWs) bands (ev): -53.8973 -53.8973 -26.3315 -26.3314 -23.0937 -23.0934 -22.8004 -22.8003 8.0321 8.0501 12.2346 12.2909 14.5259 14.6111 14.6601 14.6965 17.7999 17.8352 19.6320 19.6503 19.8689 19.9806 22.8694 23.0540 23.8044 23.8469 28.3974 28.4241 k = 0.5000 0.2887 0.3312 ( 908 PWs) bands (ev): -53.8982 -53.8982 -26.3292 -26.3291 -23.0890 -23.0887 -22.8008 -22.8007 8.0380 8.0569 12.2101 12.2653 14.5185 14.6176 14.7159 14.7402 17.7303 17.7668 19.6253 19.6399 19.8693 19.9829 22.8866 23.0706 23.6925 23.7373 28.4713 28.5018 k = 0.5000 0.2887 0.3220 ( 908 PWs) bands (ev): -53.8990 -53.8990 -26.3268 -26.3268 -23.0841 -23.0838 -22.8012 -22.8011 8.0435 8.0634 12.1873 12.2409 14.5081 14.6131 14.7750 14.7947 17.6585 17.6962 19.6193 19.6291 19.8725 19.9887 22.9041 23.0870 23.5779 23.6252 28.5471 28.5818 k = 0.5000 0.2887 0.3128 ( 908 PWs) bands (ev): -53.8999 -53.8999 -26.3245 -26.3244 -23.0792 -23.0789 -22.8016 -22.8015 8.0486 8.0694 12.1661 12.2181 14.4953 14.6030 14.8369 14.8550 17.5848 17.6235 19.6139 19.6178 19.8789 19.9981 22.9221 23.1033 23.4611 23.5109 28.6245 28.6637 k = 0.5000 0.2887 0.3036 ( 908 PWs) bands (ev): -53.9008 -53.9008 -26.3220 -26.3220 -23.0742 -23.0738 -22.8019 -22.8018 8.0532 8.0748 12.1467 12.1969 14.4802 14.5893 14.9016 14.9191 17.5093 17.5491 19.6061 19.6088 19.8886 20.0112 22.9403 23.1192 23.3426 23.3949 28.7031 28.7470 k = 0.5000 0.2887 0.2944 ( 912 PWs) bands (ev): -53.9017 -53.9017 -26.3196 -26.3195 -23.0692 -23.0688 -22.8022 -22.8021 8.0572 8.0796 12.1292 12.1773 14.4633 14.5728 14.9689 14.9863 17.4323 17.4729 19.5937 19.6036 19.9019 20.0277 22.9579 23.1320 23.2255 23.2783 28.7821 28.8311 k = 0.5000 0.2887 0.2852 ( 912 PWs) bands (ev): -53.9026 -53.9026 -26.3171 -26.3171 -23.0641 -23.0637 -22.8024 -22.8023 8.0606 8.0838 12.1135 12.1595 14.4447 14.5542 15.0388 15.0566 17.3537 17.3951 19.5810 19.5982 19.9189 20.0475 22.9724 23.0863 23.1641 23.1657 28.8610 28.9156 k = 0.5000 0.2887 0.2760 ( 912 PWs) bands (ev): -53.9035 -53.9035 -26.3147 -26.3146 -23.0590 -23.0586 -22.8026 -22.8025 8.0633 8.0872 12.0998 12.1435 14.4249 14.5338 15.1113 15.1296 17.2738 17.3159 19.5677 19.5923 19.9395 20.0706 22.9652 22.9674 23.0710 23.1782 28.9390 28.9996 k = 0.5000 0.2887 0.2668 ( 912 PWs) bands (ev): -53.9045 -53.9045 -26.3122 -26.3121 -23.0539 -23.0535 -22.8027 -22.8026 8.0654 8.0899 12.0880 12.1293 14.4041 14.5121 15.1863 15.2052 17.1927 17.2354 19.5539 19.5857 19.9636 20.0965 22.8426 22.8842 23.0516 23.1958 29.0153 29.0822 k = 0.5000 0.2887 0.2576 ( 912 PWs) bands (ev): -53.9054 -53.9054 -26.3097 -26.3096 -23.0488 -23.0485 -22.8027 -22.8026 8.0667 8.0918 12.0782 12.1170 14.3828 14.4896 15.2637 15.2834 17.1105 17.1538 19.5394 19.5783 19.9909 20.1249 22.7162 22.7686 23.0670 23.2149 29.0889 29.1626 k = 0.5000 0.2887 0.2484 ( 912 PWs) bands (ev): -53.9063 -53.9063 -26.3073 -26.3072 -23.0439 -23.0435 -22.8026 -22.8025 8.0673 8.0929 12.0701 12.1064 14.3613 14.4666 15.3434 15.3640 17.0274 17.0711 19.5242 19.5700 20.0212 20.1557 22.5888 22.6466 23.0893 23.2351 29.1586 29.2395 k = 0.5000 0.2887 0.2392 ( 912 PWs) bands (ev): -53.9073 -53.9073 -26.3048 -26.3048 -23.0389 -23.0386 -22.8025 -22.8024 8.0672 8.0932 12.0639 12.0976 14.3401 14.4436 15.4254 15.4471 16.9433 16.9876 19.5082 19.5608 20.0541 20.1883 22.4607 22.5226 23.1144 23.2564 29.2231 29.3117 k = 0.5000 0.2887 0.2300 ( 906 PWs) bands (ev): -53.9082 -53.9082 -26.3024 -26.3023 -23.0341 -23.0337 -22.8022 -22.8021 8.0664 8.0927 12.0593 12.0904 14.3196 14.4212 15.5097 15.5325 16.8587 16.9034 19.4915 19.5505 20.0893 20.2226 22.3325 22.3980 23.1416 23.2789 29.2813 29.3777 k = 0.5000 0.2887 0.2208 ( 902 PWs) bands (ev): -53.9091 -53.9091 -26.3000 -26.2999 -23.0294 -23.0290 -22.8018 -22.8017 8.0649 8.0914 12.0563 12.0848 14.3001 14.3995 15.5961 15.6201 16.7734 16.8186 19.4740 19.5394 20.1264 20.2581 22.2043 22.2730 23.1704 23.3025 29.3315 29.4357 k = 0.5000 0.2887 0.2116 ( 902 PWs) bands (ev): -53.9100 -53.9100 -26.2977 -26.2976 -23.0248 -23.0245 -22.8014 -22.8013 8.0627 8.0892 12.0547 12.0806 14.2820 14.3791 15.6844 15.7099 16.6877 16.7334 19.4553 19.5269 20.1648 20.2943 22.0762 22.1482 23.2008 23.3272 29.3725 29.4840 k = 0.5000 0.2887 0.2024 ( 906 PWs) bands (ev): -53.9109 -53.9109 -26.2954 -26.2953 -23.0204 -23.0201 -22.8009 -22.8008 8.0598 8.0864 12.0544 12.0777 14.2657 14.3604 15.7745 15.8015 16.6016 16.6478 19.4353 19.5131 20.2042 20.3310 21.9486 22.0238 23.2327 23.3532 29.4028 29.5211 k = 0.5000 0.2887 0.1932 ( 906 PWs) bands (ev): -53.9118 -53.9118 -26.2932 -26.2931 -23.0162 -23.0158 -22.8002 -22.8001 8.0564 8.0828 12.0552 12.0760 14.2518 14.3438 15.8661 15.8950 16.5156 16.5625 19.4141 19.4979 20.2443 20.3678 21.8221 21.9006 23.2662 23.3805 29.4218 29.5456 k = 0.5000 0.2887 0.1840 ( 906 PWs) bands (ev): -53.9126 -53.9126 -26.2910 -26.2910 -23.0121 -23.0118 -22.7995 -22.7994 8.0525 8.0786 12.0569 12.0753 14.2404 14.3297 15.9586 15.9897 16.4301 16.4781 19.3913 19.4811 20.2846 20.4044 21.6970 21.7786 23.3011 23.4090 29.4291 29.5567 k = 0.5000 0.2887 0.1748 ( 900 PWs) bands (ev): -53.9134 -53.9134 -26.2889 -26.2888 -23.0082 -23.0079 -22.7986 -22.7985 8.0481 8.0738 12.0594 12.0754 14.2319 14.3186 16.0502 16.0839 16.3470 16.3962 19.3669 19.4627 20.3248 20.4404 21.5739 21.6587 23.3373 23.4388 29.4247 29.5545 k = 0.5000 0.2887 0.1656 ( 896 PWs) bands (ev): -53.9142 -53.9142 -26.2869 -26.2868 -23.0046 -23.0042 -22.7977 -22.7976 8.0433 8.0685 12.0625 12.0762 14.2267 14.3106 16.1330 16.1647 16.2791 16.3249 19.3404 19.4420 20.3646 20.4755 21.4530 21.5409 23.3748 23.4697 29.4092 29.5392 k = 0.5000 0.2887 0.1564 ( 902 PWs) bands (ev): -53.9150 -53.9150 -26.2850 -26.2849 -23.0011 -23.0008 -22.7968 -22.7967 8.0382 8.0628 12.0659 12.0775 14.2249 14.3060 16.1460 16.1593 16.3116 16.3125 19.3115 19.4187 20.4032 20.5092 21.3349 21.4258 23.4133 23.5015 29.3837 29.5122 k = 0.5000 0.2887 0.1472 ( 902 PWs) bands (ev): -53.9158 -53.9158 -26.2831 -26.2830 -22.9979 -22.9976 -22.7957 -22.7956 8.0329 8.0567 12.0696 12.0792 14.2269 14.3052 16.0680 16.1011 16.3848 16.4070 19.2799 19.3926 20.4407 20.5414 21.2205 21.3141 23.4527 23.5343 29.3497 29.4751 k = 0.5000 0.2887 0.1380 ( 906 PWs) bands (ev): -53.9165 -53.9165 -26.2814 -26.2813 -22.9949 -22.9946 -22.7946 -22.7946 8.0273 8.0503 12.0733 12.0811 14.2327 14.3083 15.9840 16.0220 16.4805 16.5094 19.2453 19.3632 20.4765 20.5716 21.1105 21.2064 23.4928 23.5677 29.3087 29.4298 k = 0.5000 0.2887 0.1288 ( 906 PWs) bands (ev): -53.9172 -53.9172 -26.2797 -26.2796 -22.9921 -22.9918 -22.7935 -22.7934 8.0218 8.0438 12.0771 12.0831 14.2428 14.3156 15.8990 15.9391 16.5818 16.6148 19.2073 19.3297 20.5102 20.5993 21.0060 21.1037 23.5334 23.6017 29.2625 29.3782 k = 0.5000 0.2887 0.1196 ( 906 PWs) bands (ev): -53.9178 -53.9178 -26.2781 -26.2781 -22.9895 -22.9893 -22.7924 -22.7923 8.0162 8.0371 12.0806 12.0851 14.2570 14.3272 15.8139 15.8552 16.6858 16.7219 19.1655 19.2918 20.5407 20.6239 20.9086 21.0071 23.5740 23.6359 29.2125 29.3220 k = 0.5000 0.2887 0.1104 ( 906 PWs) bands (ev): -53.9184 -53.9184 -26.2766 -26.2766 -22.9872 -22.9870 -22.7912 -22.7912 8.0108 8.0305 12.0839 12.0871 14.2755 14.3432 15.7293 15.7713 16.7915 16.8305 19.1194 19.2488 20.5662 20.6436 20.8207 20.9187 23.6143 23.6700 29.1603 29.2631 k = 0.5000 0.2887 0.1012 ( 916 PWs) bands (ev): -53.9190 -53.9190 -26.2753 -26.2753 -22.9851 -22.9849 -22.7901 -22.7901 8.0055 8.0239 12.0868 12.0889 14.2982 14.3636 15.6452 15.6878 16.8983 16.9400 19.0686 19.1999 20.5806 20.6541 20.7488 20.8432 23.6538 23.7034 29.1073 29.2029 k = 0.5000 0.2887 0.0920 ( 916 PWs) bands (ev): -53.9195 -53.9195 -26.2741 -26.2740 -22.9832 -22.9830 -22.7890 -22.7889 8.0005 8.0175 12.0894 12.0905 14.3252 14.3883 15.5620 15.6050 17.0061 17.0507 19.0133 19.1452 20.5697 20.6452 20.7083 20.7917 23.6923 23.7360 29.0548 29.1429 k = 0.5000 0.2887 0.0828 ( 916 PWs) bands (ev): -53.9200 -53.9200 -26.2729 -26.2729 -22.9814 -22.9813 -22.7879 -22.7879 7.9958 8.0114 12.0916 12.0920 14.3566 14.4175 15.4797 15.5232 17.1143 17.1618 18.9529 19.0839 20.5284 20.6078 20.7045 20.7732 23.7292 23.7675 29.0040 29.0842 k = 0.5000 0.2887 0.0736 ( 916 PWs) bands (ev): -53.9204 -53.9204 -26.2719 -26.2718 -22.9799 -22.9798 -22.7869 -22.7869 7.9915 8.0055 12.0933 12.0935 14.3921 14.4511 15.3986 15.4425 17.2228 17.2731 18.8875 19.0162 20.4774 20.5555 20.7168 20.7747 23.7642 23.7971 28.9560 29.0280 k = 0.5000 0.2887 0.0644 ( 916 PWs) bands (ev): -53.9208 -53.9208 -26.2709 -26.2709 -22.9786 -22.9785 -22.7860 -22.7859 7.9877 8.0001 12.0943 12.0949 14.4317 14.4889 15.3188 15.3631 17.3309 17.3841 18.8174 18.9423 20.4293 20.5021 20.7330 20.7823 23.7966 23.8246 28.9118 28.9754 k = 0.5000 0.2887 0.0552 ( 914 PWs) bands (ev): -53.9211 -53.9211 -26.2701 -26.2701 -22.9775 -22.9773 -22.7851 -22.7851 7.9844 7.9951 12.0952 12.0961 14.4753 14.5308 15.2405 15.2852 17.4383 17.4941 18.7432 18.8629 20.3877 20.4530 20.7492 20.7909 23.8260 23.8494 28.8723 28.9272 k = 0.5000 0.2887 0.0460 ( 914 PWs) bands (ev): -53.9214 -53.9214 -26.2694 -26.2694 -22.9765 -22.9764 -22.7844 -22.7844 7.9816 7.9907 12.0960 12.0969 14.5226 14.5765 15.1637 15.2089 17.5441 17.6022 18.6661 18.7789 20.3536 20.4099 20.7642 20.7987 23.8521 23.8710 28.8381 28.8843 k = 0.5000 0.2887 0.0368 ( 914 PWs) bands (ev): -53.9216 -53.9216 -26.2689 -26.2689 -22.9757 -22.9757 -22.7838 -22.7838 7.9795 7.9868 12.0966 12.0975 14.5735 14.6260 15.0888 15.1344 17.6471 17.7065 18.5878 18.6919 20.3273 20.3734 20.7774 20.8048 23.8743 23.8891 28.8101 28.8473 k = 0.5000 0.2887 0.0276 ( 910 PWs) bands (ev): -53.9218 -53.9218 -26.2684 -26.2684 -22.9751 -22.9751 -22.7833 -22.7833 7.9780 7.9835 12.0971 12.0978 14.6278 14.6791 15.0158 15.0620 17.7455 17.8037 18.5120 18.6043 20.3086 20.3437 20.7886 20.8091 23.8923 23.9032 28.7888 28.8168 k = 0.5000 0.2887 0.0184 ( 910 PWs) bands (ev): -53.9219 -53.9219 -26.2681 -26.2681 -22.9747 -22.9747 -22.7829 -22.7829 7.9772 7.9809 12.0974 12.0980 14.6853 14.7354 14.9450 14.9917 17.8353 17.8870 18.4455 18.5201 20.2971 20.3208 20.7976 20.8112 23.9059 23.9131 28.7746 28.7933 k = 0.5000 0.2887 0.0092 ( 906 PWs) bands (ev): -53.9220 -53.9220 -26.2679 -26.2679 -22.9744 -22.9744 -22.7827 -22.7827 7.9771 7.9790 12.0977 12.0980 14.7459 14.7945 14.8771 14.9241 17.9088 17.9423 18.4026 18.4477 20.2928 20.3047 20.8044 20.8112 23.9148 23.9184 28.7678 28.7772 k = 0.5000 0.2887-0.0000 ( 898 PWs) bands (ev): -53.9220 -53.9220 -26.2678 -26.2678 -22.9743 -22.9743 -22.7826 -22.7826 7.9777 7.9777 12.0980 12.0980 14.8082 14.8082 14.8602 14.8602 17.9504 17.9504 18.4025 18.4025 20.2954 20.2954 20.8091 20.8091 23.9191 23.9191 28.7687 28.7687 k = 0.3333 0.5774-0.0000 ( 924 PWs) bands (ev): -53.9165 -53.9165 -26.2858 -26.2738 -22.9273 -22.9006 -22.8935 -22.8845 8.3758 8.4799 12.6727 12.6751 14.2096 14.3205 14.9394 15.0161 17.4054 17.5433 18.2996 18.4973 19.2962 19.3083 19.6335 19.9017 24.9170 25.0137 31.8598 31.8883 k = 0.3333 0.5774 0.0092 ( 924 PWs) bands (ev): -53.9164 -53.9164 -26.2859 -26.2739 -22.9273 -22.9005 -22.8937 -22.8847 8.3757 8.4798 12.6751 12.6775 14.2067 14.3177 14.9373 15.0138 17.4009 17.5339 18.3135 18.5062 19.2967 19.3089 19.6360 19.9040 24.9149 25.0116 31.8584 31.8870 k = 0.3333 0.5774 0.0184 ( 924 PWs) bands (ev): -53.9164 -53.9164 -26.2860 -26.2741 -22.9271 -22.9004 -22.8943 -22.8853 8.3756 8.4795 12.6823 12.6847 14.1983 14.3094 14.9312 15.0071 17.3881 17.5077 18.3533 18.5326 19.2983 19.3109 19.6437 19.9108 24.9085 25.0052 31.8540 31.8831 k = 0.3333 0.5774 0.0276 ( 918 PWs) bands (ev): -53.9162 -53.9162 -26.2863 -26.2743 -22.9269 -22.9002 -22.8952 -22.8862 8.3753 8.4789 12.6943 12.6968 14.1843 14.2955 14.9210 14.9961 17.3683 17.4695 18.4142 18.5749 19.3011 19.3143 19.6564 19.9222 24.8981 24.9947 31.8467 31.8767 k = 0.3333 0.5774 0.0368 ( 918 PWs) bands (ev): -53.9161 -53.9161 -26.2867 -26.2748 -22.9266 -22.8999 -22.8965 -22.8876 8.3749 8.4782 12.7111 12.7135 14.1648 14.2763 14.9069 14.9808 17.3430 17.4237 18.4912 18.6313 19.3049 19.3189 19.6740 19.9380 24.8835 24.9799 31.8364 31.8675 k = 0.3333 0.5774 0.0460 ( 915 PWs) bands (ev): -53.9158 -53.9158 -26.2872 -26.2753 -22.9262 -22.8995 -22.8983 -22.8893 8.3744 8.4772 12.7326 12.7351 14.1400 14.2518 14.8890 14.9613 17.3144 17.3745 18.5805 18.6995 19.3098 19.3251 19.6963 19.9580 24.8648 24.9610 31.8231 31.8557 k = 0.3333 0.5774 0.0552 ( 909 PWs) bands (ev): -53.9155 -53.9155 -26.2879 -26.2759 -22.9257 -22.9003 -22.8990 -22.8914 8.3737 8.4760 12.7588 12.7613 14.1102 14.2222 14.8676 14.9381 17.2839 17.3245 18.6791 18.7778 19.3157 19.3327 19.7233 19.9821 24.8423 24.9383 31.8068 31.8412 k = 0.3333 0.5774 0.0644 ( 909 PWs) bands (ev): -53.9152 -53.9152 -26.2886 -26.2767 -22.9252 -22.9028 -22.8985 -22.8938 8.3730 8.4745 12.7897 12.7922 14.0755 14.1877 14.8425 14.9110 17.2529 17.2754 18.7850 18.8641 19.3226 19.3421 19.7545 20.0100 24.8160 24.9117 31.7874 31.8239 k = 0.3333 0.5774 0.0736 ( 915 PWs) bands (ev): -53.9148 -53.9148 -26.2895 -26.2776 -22.9246 -22.9057 -22.8979 -22.8967 8.3721 8.4728 12.8250 12.8277 14.0363 14.1485 14.8143 14.8805 17.2224 17.2284 18.8969 18.9567 19.3302 19.3533 19.7897 20.0415 24.7862 24.8814 31.7648 31.8038 k = 0.3333 0.5774 0.0828 ( 915 PWs) bands (ev): -53.9144 -53.9144 -26.2905 -26.2787 -22.9239 -22.9088 -22.8998 -22.8972 8.3711 8.4709 12.8651 12.8678 13.9927 14.1049 14.7830 14.8469 17.1841 17.1933 19.0137 19.0535 19.3392 19.3682 19.8288 20.0764 24.7530 24.8478 31.7389 31.7808 k = 0.3333 0.5774 0.0920 ( 915 PWs) bands (ev): -53.9139 -53.9139 -26.2916 -26.2798 -22.9231 -22.9123 -22.9033 -22.8964 8.3699 8.4687 12.9096 12.9125 13.9453 14.0572 14.7491 14.8105 17.1431 17.1659 19.1347 19.1510 19.3491 19.3888 19.8714 20.1144 24.7167 24.8109 31.7097 31.7548 k = 0.3333 0.5774 0.1012 ( 915 PWs) bands (ev): -53.9134 -53.9134 -26.2928 -26.2810 -22.9222 -22.9161 -22.9071 -22.8956 8.3687 8.4664 12.9587 12.9616 13.8942 14.0057 14.7127 14.7715 17.1054 17.1407 19.2416 19.2592 19.3599 19.4221 19.9172 20.1552 24.6775 24.7709 31.6771 31.7257 k = 0.3333 0.5774 0.1104 ( 915 PWs) bands (ev): -53.9129 -53.9129 -26.2942 -26.2823 -22.9213 -22.9203 -22.9112 -22.8947 8.3672 8.4637 13.0121 13.0152 13.8399 13.9508 14.6740 14.7302 17.0713 17.1179 19.3104 19.3717 19.3869 19.4825 19.9660 20.1985 24.6355 24.7282 31.6410 31.6934 k = 0.3333 0.5774 0.1196 ( 915 PWs) bands (ev): -53.9123 -53.9123 -26.2956 -26.2838 -22.9247 -22.9203 -22.9156 -22.8937 8.3657 8.4609 13.0697 13.0730 13.7827 13.8929 14.6335 14.6870 17.0406 17.0975 19.3521 19.3844 19.5172 19.5746 20.0176 20.2441 24.5912 24.6828 31.6012 31.6579 k = 0.3333 0.5774 0.1288 ( 915 PWs) bands (ev): -53.9116 -53.9116 -26.2971 -26.2853 -22.9294 -22.9203 -22.9193 -22.8927 8.3640 8.4578 13.1316 13.1351 13.7230 13.8321 14.5913 14.6420 17.0134 17.0796 19.3791 19.3978 19.6497 19.6856 20.0718 20.2917 24.5446 24.6351 31.5577 31.6189 k = 0.3333 0.5774 0.1380 ( 915 PWs) bands (ev): -53.9109 -53.9109 -26.2987 -26.2869 -22.9343 -22.9252 -22.9181 -22.8916 8.3621 8.4544 13.1975 13.2014 13.6611 13.7691 14.5477 14.5958 16.9894 17.0642 19.4004 19.4121 19.7837 19.8060 20.1286 20.3409 24.4961 24.5853 31.5103 31.5765 k = 0.3333 0.5774 0.1472 ( 915 PWs) bands (ev): -53.9102 -53.9102 -26.3004 -26.2887 -22.9395 -22.9304 -22.9170 -22.8904 8.3601 8.4508 13.2674 13.2717 13.5973 13.7040 14.5029 14.5483 16.9686 17.0511 19.4197 19.4271 19.9185 19.9318 20.1884 20.3916 24.4458 24.5335 31.4589 31.5304 k = 0.3333 0.5774 0.1564 ( 906 PWs) bands (ev): -53.9095 -53.9095 -26.3021 -26.2904 -22.9448 -22.9357 -22.9157 -22.8892 8.3580 8.4470 13.3411 13.3459 13.5322 13.6373 14.4575 14.5002 16.9508 17.0405 19.4386 19.4430 20.0523 20.0616 20.2525 20.4434 24.3942 24.4802 31.4035 31.4805 k = 0.3333 0.5774 0.1656 ( 906 PWs) bands (ev): -53.9087 -53.9087 -26.3040 -26.2923 -22.9505 -22.9413 -22.9145 -22.8880 8.3557 8.4429 13.4185 13.4239 13.4658 13.5692 14.4114 14.4513 16.9358 17.0320 19.4569 19.4592 20.1804 20.1943 20.3250 20.4961 24.3412 24.4252 31.3438 31.4267 k = 0.3333 0.5774 0.1748 ( 906 PWs) bands (ev): -53.9079 -53.9079 -26.3059 -26.2943 -22.9562 -22.9471 -22.9131 -22.8867 8.3532 8.4386 13.3983 13.4993 13.5000 13.5058 14.3651 14.4021 16.9233 17.0255 19.4753 19.4760 20.2916 20.3295 20.4168 20.5495 24.2871 24.3691 31.2798 31.3689 k = 0.3333 0.5774 0.1840 ( 906 PWs) bands (ev): -53.9071 -53.9071 -26.3079 -26.2963 -22.9622 -22.9530 -22.9118 -22.8853 8.3506 8.4341 13.3304 13.4302 13.5832 13.5910 14.3188 14.3527 16.9132 17.0209 19.4932 19.4938 20.3780 20.4667 20.5352 20.6033 24.2323 24.3118 31.2114 31.3070 k = 0.3333 0.5774 0.1932 ( 900 PWs) bands (ev): -53.9062 -53.9062 -26.3100 -26.2984 -22.9683 -22.9591 -22.9103 -22.8839 8.3478 8.4293 13.2622 13.3600 13.6699 13.6797 14.2733 14.3034 16.9055 17.0183 19.5108 19.5125 20.4498 20.6059 20.6573 20.6699 24.1770 24.2539 31.1386 31.2408 k = 0.3333 0.5774 0.2024 ( 900 PWs) bands (ev): -53.9054 -53.9054 -26.3121 -26.3006 -22.9745 -22.9653 -22.9089 -22.8825 8.3449 8.4243 13.1938 13.2895 13.7585 13.7717 14.2290 14.2543 16.8997 17.0171 19.5287 19.5312 20.5159 20.7113 20.7466 20.8115 24.1212 24.1952 31.0612 31.1702 k = 0.3333 0.5774 0.2116 ( 891 PWs) bands (ev): -53.9045 -53.9045 -26.3143 -26.3028 -22.9808 -22.9715 -22.9074 -22.8810 8.3419 8.4192 13.1258 13.2193 13.8473 13.8668 14.1880 14.2057 16.8958 17.0176 19.5468 19.5502 20.5798 20.7652 20.8888 20.9566 24.0653 24.1362 30.9792 31.0952 k = 0.3333 0.5774 0.2208 ( 891 PWs) bands (ev): -53.9036 -53.9036 -26.3165 -26.3050 -22.9872 -22.9779 -22.9059 -22.8796 8.3387 8.4138 13.0579 13.1492 13.9307 13.9647 14.1556 14.1575 16.8936 17.0194 19.5649 19.5690 20.6421 20.8186 21.0321 21.1035 24.0094 24.0767 30.8925 31.0157 k = 0.3333 0.5774 0.2300 ( 891 PWs) bands (ev): -53.9027 -53.9027 -26.3188 -26.3074 -22.9936 -22.9844 -22.9044 -22.8781 8.3353 8.4082 12.9906 13.0797 13.9879 14.0655 14.1100 14.1527 16.8928 17.0224 19.5831 19.5879 20.7034 20.8714 21.1766 21.2518 23.9536 24.0172 30.8013 30.9317 k = 0.3333 0.5774 0.2392 ( 891 PWs) bands (ev): -53.9017 -53.9017 -26.3211 -26.3097 -23.0001 -22.9908 -22.9029 -22.8766 8.3318 8.4024 12.9240 13.0109 13.9899 14.0634 14.1687 14.2083 16.8935 17.0266 19.6012 19.6066 20.7639 20.9235 21.3220 21.4010 23.8983 23.9578 30.7055 30.8431 k = 0.3333 0.5774 0.2484 ( 903 PWs) bands (ev): -53.9008 -53.9008 -26.3235 -26.3121 -23.0067 -22.9974 -22.9014 -22.8751 8.3282 8.3965 12.8583 12.9430 13.9608 14.0175 14.2743 14.2979 16.8951 17.0315 19.6191 19.6250 20.8233 20.9745 21.4681 21.5508 23.8433 23.8984 30.6053 30.7500 k = 0.3333 0.5774 0.2576 ( 903 PWs) bands (ev): -53.8999 -53.8999 -26.3259 -26.3145 -23.0132 -23.0038 -22.8999 -22.8736 8.3244 8.3904 12.7937 12.8762 13.9235 13.9729 14.3820 14.3989 16.8981 17.0377 19.6367 19.6431 20.8819 21.0246 21.6151 21.7013 23.7892 23.8396 30.5008 30.6526 k = 0.3333 0.5774 0.2668 ( 903 PWs) bands (ev): -53.8990 -53.8990 -26.3282 -26.3170 -23.0196 -23.0103 -22.8983 -22.8721 8.3206 8.3842 12.7304 12.8106 13.8841 13.9295 14.4916 14.5050 16.9021 17.0446 19.6539 19.6608 20.9394 21.0735 21.7627 21.8521 23.7361 23.7814 30.3921 30.5508 k = 0.3333 0.5774 0.2760 ( 894 PWs) bands (ev): -53.8980 -53.8980 -26.3306 -26.3193 -23.0260 -23.0167 -22.8967 -22.8706 8.3166 8.3779 12.6685 12.7466 13.8445 13.8874 14.6029 14.6142 16.9070 17.0523 19.6706 19.6781 20.9961 21.1214 21.9108 22.0032 23.6842 23.7242 30.2796 30.4450 k = 0.3333 0.5774 0.2852 ( 894 PWs) bands (ev): -53.8971 -53.8971 -26.3330 -26.3217 -23.0324 -23.0230 -22.8952 -22.8691 8.3126 8.3714 12.6080 12.6839 13.8053 13.8465 14.7155 14.7255 16.9126 17.0604 19.6867 19.6945 21.0513 21.1677 22.0592 22.1543 23.6332 23.6677 30.1633 30.3351 k = 0.3333 0.5774 0.2944 ( 900 PWs) bands (ev): -53.8962 -53.8962 -26.3354 -26.3242 -23.0387 -23.0293 -22.8937 -22.8676 8.3085 8.3649 12.5491 12.6229 13.7670 13.8070 14.8292 14.8382 16.9188 17.0691 19.7016 19.7099 21.1052 21.2123 22.2077 22.3050 23.5836 23.6124 30.0436 30.2214 k = 0.3333 0.5774 0.3036 ( 900 PWs) bands (ev): -53.8953 -53.8953 -26.3377 -26.3266 -23.0449 -23.0355 -22.8922 -22.8661 8.3043 8.3584 12.4919 12.5637 13.7298 13.7690 14.9437 14.9520 16.9255 17.0782 19.7161 19.7248 21.1579 21.2554 22.3565 22.4553 23.5355 23.5585 29.9207 30.1043 k = 0.3333 0.5774 0.3128 ( 888 PWs) bands (ev): -53.8944 -53.8944 -26.3400 -26.3289 -23.0509 -23.0415 -22.8907 -22.8646 8.3001 8.3519 12.4366 12.5064 13.6939 13.7326 15.0587 15.0666 16.9330 17.0879 19.7297 19.7388 21.2093 21.2970 22.5054 22.6047 23.4891 23.5066 29.7952 29.9841 k = 0.3333 0.5774 0.3220 ( 888 PWs) bands (ev): -53.8935 -53.8935 -26.3423 -26.3312 -23.0568 -23.0474 -22.8892 -22.8632 8.2959 8.3453 12.3831 12.4510 13.6592 13.6976 15.1738 15.1813 16.9405 17.0976 19.7421 19.7516 21.2591 21.3366 22.6541 22.7525 23.4443 23.4572 29.6669 29.8609 k = 0.3333 0.5774 0.3312 ( 888 PWs) bands (ev): -53.8927 -53.8927 -26.3445 -26.3335 -23.0626 -23.0531 -22.8878 -22.8618 8.2917 8.3389 12.3316 12.3977 13.6260 13.6642 15.2887 15.2960 16.9482 17.1074 19.7533 19.7632 21.3074 21.3743 22.8026 22.8969 23.4013 23.4120 29.5364 29.7351 k = 0.3333 0.5774 0.3404 ( 888 PWs) bands (ev): -53.8919 -53.8919 -26.3467 -26.3357 -23.0681 -23.0586 -22.8864 -22.8604 8.2875 8.3324 12.2823 12.3466 13.5942 13.6325 15.4030 15.4101 16.9561 17.1173 19.7633 19.7736 21.3541 21.4102 22.9506 23.0330 23.3601 23.3758 29.4042 29.6071 k = 0.3333 0.5774 0.3496 ( 888 PWs) bands (ev): -53.8911 -53.8911 -26.3489 -26.3379 -23.0735 -23.0640 -22.8851 -22.8591 8.2834 8.3261 12.2350 12.2976 13.5640 13.6023 15.5163 15.5233 16.9641 17.1272 19.7719 19.7826 21.3992 21.4441 23.0982 23.1421 23.3209 23.3675 29.2704 29.4772 k = 0.3333 0.5774 0.3588 ( 888 PWs) bands (ev): -53.8903 -53.8903 -26.3510 -26.3400 -23.0787 -23.0692 -22.8838 -22.8579 8.2793 8.3199 12.1900 12.2509 13.5353 13.5737 15.6282 15.6352 16.9721 17.1371 19.7792 19.7902 21.4426 21.4760 23.1806 23.2449 23.2838 23.4304 29.1357 29.3460 k = 0.3333 0.5774 0.3680 ( 888 PWs) bands (ev): -53.8895 -53.8895 -26.3530 -26.3420 -23.0837 -23.0741 -22.8826 -22.8567 8.2753 8.3138 12.1472 12.2066 13.5082 13.5469 15.7381 15.7452 16.9801 17.1468 19.7850 19.7964 21.4842 21.5058 23.1634 23.2488 23.3907 23.5495 29.0002 29.2138 k = 0.3333 0.5774 0.3772 ( 888 PWs) bands (ev): -53.8888 -53.8888 -26.3549 -26.3440 -23.0884 -23.0789 -22.8814 -22.8555 8.2714 8.3079 12.1068 12.1647 13.4827 13.5216 15.8457 15.8529 16.9879 17.1564 19.7894 19.8011 21.5241 21.5337 23.1304 23.2159 23.5353 23.6847 28.8645 29.0811 k = 0.3333 0.5774 0.3864 ( 885 PWs) bands (ev): -53.8881 -53.8881 -26.3567 -26.3459 -23.0929 -23.0833 -22.8803 -22.8544 8.2676 8.3023 12.0688 12.1253 13.4588 13.4981 15.9504 15.9578 16.9955 17.1658 19.7924 19.8044 21.5595 21.5621 23.0940 23.1854 23.6784 23.8236 28.7291 28.9485 k = 0.3333 0.5774 0.3956 ( 885 PWs) bands (ev): -53.8875 -53.8875 -26.3585 -26.3476 -23.0971 -23.0875 -22.8792 -22.8533 8.2640 8.2969 12.0331 12.0884 13.4366 13.4762 16.0517 16.0593 17.0029 17.1748 19.7940 19.8062 21.5832 21.5983 23.0572 23.1570 23.8197 23.9627 28.5944 28.8163 k = 0.3333 0.5774 0.4048 ( 888 PWs) bands (ev): -53.8869 -53.8869 -26.3601 -26.3493 -23.1011 -23.0915 -22.8782 -22.8524 8.2605 8.2917 12.0000 12.0541 13.4160 13.4559 16.1489 16.1569 17.0099 17.1835 19.7940 19.8066 21.6049 21.6324 23.0213 23.1307 23.9586 24.1002 28.4609 28.6853 k = 0.3333 0.5774 0.4140 ( 888 PWs) bands (ev): -53.8863 -53.8863 -26.3617 -26.3509 -23.1048 -23.0952 -22.8773 -22.8514 8.2573 8.2869 11.9694 12.0223 13.3970 13.4374 16.2416 16.2500 17.0166 17.1918 19.7930 19.8058 21.6246 21.6645 22.9871 23.1068 24.0947 24.2353 28.3294 28.5562 k = 0.3333 0.5774 0.4232 ( 888 PWs) bands (ev): -53.8858 -53.8858 -26.3631 -26.3523 -23.1082 -23.0986 -22.8764 -22.8506 8.2542 8.2824 11.9413 11.9932 13.3797 13.4204 16.3291 16.3380 17.0228 17.1996 19.7910 19.8040 21.6424 21.6945 22.9548 23.0851 24.2273 24.3670 28.2006 28.4297 k = 0.3333 0.5774 0.4324 ( 888 PWs) bands (ev): -53.8854 -53.8854 -26.3644 -26.3537 -23.1113 -23.1017 -22.8756 -22.8498 8.2514 8.2782 11.9158 11.9668 13.3641 13.4051 16.4108 16.4203 17.0286 17.2070 19.7880 19.8012 21.6582 21.7222 22.9246 23.0657 24.3556 24.4943 28.0754 28.3070 k = 0.3333 0.5774 0.4416 ( 888 PWs) bands (ev): -53.8849 -53.8849 -26.3656 -26.3549 -23.1141 -23.1044 -22.8749 -22.8491 8.2488 8.2744 11.8929 11.9431 13.3501 13.3915 16.4860 16.4962 17.0339 17.2139 19.7843 19.7977 21.6721 21.7476 22.8969 23.0484 24.4785 24.6161 27.9550 28.1890 k = 0.3333 0.5774 0.4508 ( 888 PWs) bands (ev): -53.8845 -53.8845 -26.3666 -26.3559 -23.1166 -23.1069 -22.8743 -22.8485 8.2465 8.2710 11.8726 11.9221 13.3378 13.3794 16.5541 16.5651 17.0387 17.2203 19.7801 19.7937 21.6842 21.7705 22.8719 23.0333 24.5949 24.7311 27.8407 28.0772 k = 0.3333 0.5774 0.4600 ( 894 PWs) bands (ev): -53.8842 -53.8842 -26.3676 -26.3569 -23.1188 -23.1091 -22.8738 -22.8480 8.2444 8.2680 11.8549 11.9037 13.3270 13.3690 16.6145 16.6263 17.0428 17.2260 19.7757 19.7894 21.6944 21.7907 22.8495 23.0202 24.7030 24.8377 27.7342 27.9733 k = 0.3333 0.5774 0.4692 ( 894 PWs) bands (ev): -53.8839 -53.8839 -26.3684 -26.3577 -23.1206 -23.1109 -22.8733 -22.8475 8.2427 8.2654 11.8400 11.8883 13.3180 13.3602 16.6666 16.6794 17.0464 17.2311 19.7714 19.7853 21.7031 21.8082 22.8303 23.0093 24.8010 24.9340 27.6375 27.8791 k = 0.3333 0.5774 0.4784 ( 894 PWs) bands (ev): -53.8837 -53.8837 -26.3690 -26.3584 -23.1221 -23.1124 -22.8729 -22.8472 8.2412 8.2633 11.8278 11.8756 13.3106 13.3530 16.7100 16.7236 17.0494 17.2354 19.7674 19.7814 21.7101 21.8228 22.8143 23.0005 24.8867 25.0177 27.5528 27.7971 k = 0.3333 0.5774 0.4876 ( 894 PWs) bands (ev): -53.8835 -53.8835 -26.3696 -26.3589 -23.1233 -23.1136 -22.8726 -22.8469 8.2401 8.2616 11.8182 11.8657 13.3049 13.3474 16.7441 16.7586 17.0517 17.2390 19.7640 19.7780 21.7155 21.8343 22.8016 22.9936 24.9573 25.0866 27.4829 27.7295 k = 0.3333 0.5774 0.4968 ( 900 PWs) bands (ev): -53.8834 -53.8834 -26.3700 -26.3593 -23.1242 -23.1145 -22.8724 -22.8467 8.2393 8.2604 11.8114 11.8586 13.3007 13.3434 16.7687 16.7839 17.0533 17.2415 19.7614 19.7755 21.7191 21.8425 22.7923 22.9887 25.0102 25.1380 27.4303 27.6788 k = 0.3333 0.5774 0.5060 ( 900 PWs) bands (ev): -53.8833 -53.8833 -26.3702 -26.3595 -23.1247 -23.1150 -22.8723 -22.8465 8.2388 8.2597 11.8073 11.8544 13.2983 13.3410 16.7836 16.7992 17.0543 17.2431 19.7598 19.7739 21.7214 21.8475 22.7868 22.9858 25.0432 25.1699 27.3977 27.6474 k = 0.3333 0.5774 0.5152 ( 888 PWs) bands (ev): -53.8833 -53.8833 -26.3702 -26.3595 -23.1248 -23.1151 -22.8722 -22.8465 8.2387 8.2595 11.8061 11.8531 13.2975 13.3402 16.7886 16.8043 17.0547 17.2437 19.7596 19.7737 21.7225 21.8496 22.7850 22.9849 25.0546 25.1810 27.3867 27.6368 Writing output data file RuC.save init_run : 2.80s CPU 12.99s WALL ( 1 calls) electrons : 145.18s CPU 150.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 145.16s CPU 149.65s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.78s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.42s WALL ( 1 calls) newd : 0.28s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 523 calls) cegterg : 101.96s CPU 103.06s WALL ( 523 calls) Called by sum_band: Called by *egterg: h_psi : 47.54s CPU 51.42s WALL ( 7721 calls) s_psi : 3.01s CPU 3.69s WALL ( 7721 calls) g_psi : 0.04s CPU 0.09s WALL ( 6675 calls) cdiaghg : 39.08s CPU 37.88s WALL ( 7198 calls) cegterg:over : 9.68s CPU 8.30s WALL ( 6675 calls) cegterg:upda : 0.22s CPU 0.94s WALL ( 6675 calls) cegterg:last : 0.26s CPU 0.73s WALL ( 1569 calls) Called by h_psi: h_psi:vloc : 40.50s CPU 44.05s WALL ( 7721 calls) h_psi:vnl : 7.02s CPU 7.28s WALL ( 7721 calls) add_vuspsi : 0.90s CPU 2.44s WALL ( 7721 calls) General routines calbec : 6.11s CPU 4.77s WALL ( 7721 calls) fft : 0.28s CPU 1.12s WALL ( 19 calls) ffts : 0.04s CPU 0.05s WALL ( 4 calls) fftw : 38.71s CPU 42.25s WALL ( 598992 calls) interpolate : 0.07s CPU 0.11s WALL ( 4 calls) davcio : 0.01s CPU 1.23s WALL ( 1046 calls) Parallel routines fft_scatter : 26.44s CPU 30.08s WALL ( 599015 calls) PWSCF : 3m 9.45s CPU 5m42.26s WALL This run was terminated on: 17:37: 0 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=