Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:34:24 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: ./TcB.save/ file Tc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 19 9 3 465 171 29 Max 20 10 4 469 184 33 Sum 913 475 151 22381 8541 1509 bravais-lattice index = 14 lattice parameter (alat) = 5.4160 a.u. unit-cell volume = 139.7403 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 448.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.415955 celldm(2)= 1.000000 celldm(3)= 1.015701 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 1.015701 ) 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 0.984541 ) PseudoPot. # 1 for Tc read from file: /home/autes/Pseudo/Tc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20e1f658a7aa6a4afb3e3f899e3635d1 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1231 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 B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 Tc 15.00 98.00000 Tc( 1.00) B 3.00 10.81100 B( 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= 521 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019194 k( 2) = ( 0.0078125 0.0045105 -0.0000000), wk = 0.0019194 k( 3) = ( 0.0156250 0.0090211 -0.0000000), wk = 0.0019194 k( 4) = ( 0.0234375 0.0135316 -0.0000000), wk = 0.0019194 k( 5) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0019194 k( 6) = ( 0.0390625 0.0225527 -0.0000000), wk = 0.0019194 k( 7) = ( 0.0468750 0.0270633 -0.0000000), wk = 0.0019194 k( 8) = ( 0.0546875 0.0315738 -0.0000000), wk = 0.0019194 k( 9) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0019194 k( 10) = ( 0.0703125 0.0405949 -0.0000000), wk = 0.0019194 k( 11) = ( 0.0781250 0.0451055 -0.0000000), wk = 0.0019194 k( 12) = ( 0.0859375 0.0496160 -0.0000000), wk = 0.0019194 k( 13) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0019194 k( 14) = ( 0.1015625 0.0586371 -0.0000000), wk = 0.0019194 k( 15) = ( 0.1093750 0.0631477 -0.0000000), wk = 0.0019194 k( 16) = ( 0.1171875 0.0676582 -0.0000000), wk = 0.0019194 k( 17) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0019194 k( 18) = ( 0.1328125 0.0766793 -0.0000000), wk = 0.0019194 k( 19) = ( 0.1406250 0.0811899 -0.0000000), wk = 0.0019194 k( 20) = ( 0.1484375 0.0857004 -0.0000000), wk = 0.0019194 k( 21) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0019194 k( 22) = ( 0.1640625 0.0947215 -0.0000000), wk = 0.0019194 k( 23) = ( 0.1718750 0.0992321 -0.0000000), wk = 0.0019194 k( 24) = ( 0.1796875 0.1037426 -0.0000000), wk = 0.0019194 k( 25) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0019194 k( 26) = ( 0.1953125 0.1127637 -0.0000000), wk = 0.0019194 k( 27) = ( 0.2031250 0.1172743 -0.0000000), wk = 0.0019194 k( 28) = ( 0.2109375 0.1217848 -0.0000000), wk = 0.0019194 k( 29) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0019194 k( 30) = ( 0.2265625 0.1308059 -0.0000000), wk = 0.0019194 k( 31) = ( 0.2343750 0.1353165 -0.0000000), wk = 0.0019194 k( 32) = ( 0.2421875 0.1398270 -0.0000000), wk = 0.0019194 k( 33) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0019194 k( 34) = ( 0.2578125 0.1488481 -0.0000000), wk = 0.0019194 k( 35) = ( 0.2656250 0.1533587 -0.0000000), wk = 0.0019194 k( 36) = ( 0.2734375 0.1578692 -0.0000000), wk = 0.0019194 k( 37) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0019194 k( 38) = ( 0.2890625 0.1668903 -0.0000000), wk = 0.0019194 k( 39) = ( 0.2968750 0.1714009 -0.0000000), wk = 0.0019194 k( 40) = ( 0.3046875 0.1759114 -0.0000000), wk = 0.0019194 k( 41) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0019194 k( 42) = ( 0.3203125 0.1849325 -0.0000000), wk = 0.0019194 k( 43) = ( 0.3281250 0.1894431 -0.0000000), wk = 0.0019194 k( 44) = ( 0.3359375 0.1939536 -0.0000000), wk = 0.0019194 k( 45) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0019194 k( 46) = ( 0.3515625 0.2029747 -0.0000000), wk = 0.0019194 k( 47) = ( 0.3593750 0.2074853 -0.0000000), wk = 0.0019194 k( 48) = ( 0.3671875 0.2119958 -0.0000000), wk = 0.0019194 k( 49) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0019194 k( 50) = ( 0.3828125 0.2210169 -0.0000000), wk = 0.0019194 k( 51) = ( 0.3906250 0.2255274 -0.0000000), wk = 0.0019194 k( 52) = ( 0.3984375 0.2300380 -0.0000000), wk = 0.0019194 k( 53) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0019194 k( 54) = ( 0.4140625 0.2390591 -0.0000000), wk = 0.0019194 k( 55) = ( 0.4218750 0.2435696 -0.0000000), wk = 0.0019194 k( 56) = ( 0.4296875 0.2480802 -0.0000000), wk = 0.0019194 k( 57) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0019194 k( 58) = ( 0.4453125 0.2571013 -0.0000000), wk = 0.0019194 k( 59) = ( 0.4531250 0.2616118 -0.0000000), wk = 0.0019194 k( 60) = ( 0.4609375 0.2661224 -0.0000000), wk = 0.0019194 k( 61) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0019194 k( 62) = ( 0.4765625 0.2751435 -0.0000000), wk = 0.0019194 k( 63) = ( 0.4843750 0.2796540 -0.0000000), wk = 0.0019194 k( 64) = ( 0.4921875 0.2841646 -0.0000000), wk = 0.0019194 k( 65) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019194 k( 66) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019194 k( 67) = ( 0.4954955 0.2964772 -0.0000000), wk = 0.0019194 k( 68) = ( 0.4909910 0.3042792 -0.0000000), wk = 0.0019194 k( 69) = ( 0.4864865 0.3120812 -0.0000000), wk = 0.0019194 k( 70) = ( 0.4819820 0.3198833 -0.0000000), wk = 0.0019194 k( 71) = ( 0.4774775 0.3276853 -0.0000000), wk = 0.0019194 k( 72) = ( 0.4729730 0.3354873 -0.0000000), wk = 0.0019194 k( 73) = ( 0.4684685 0.3432893 -0.0000000), wk = 0.0019194 k( 74) = ( 0.4639640 0.3510914 -0.0000000), wk = 0.0019194 k( 75) = ( 0.4594595 0.3588934 -0.0000000), wk = 0.0019194 k( 76) = ( 0.4549550 0.3666954 -0.0000000), wk = 0.0019194 k( 77) = ( 0.4504505 0.3744975 -0.0000000), wk = 0.0019194 k( 78) = ( 0.4459459 0.3822995 -0.0000000), wk = 0.0019194 k( 79) = ( 0.4414414 0.3901015 -0.0000000), wk = 0.0019194 k( 80) = ( 0.4369369 0.3979036 -0.0000000), wk = 0.0019194 k( 81) = ( 0.4324324 0.4057056 -0.0000000), wk = 0.0019194 k( 82) = ( 0.4279279 0.4135076 -0.0000000), wk = 0.0019194 k( 83) = ( 0.4234234 0.4213097 -0.0000000), wk = 0.0019194 k( 84) = ( 0.4189189 0.4291117 -0.0000000), wk = 0.0019194 k( 85) = ( 0.4144144 0.4369137 -0.0000000), wk = 0.0019194 k( 86) = ( 0.4099099 0.4447157 -0.0000000), wk = 0.0019194 k( 87) = ( 0.4054054 0.4525178 -0.0000000), wk = 0.0019194 k( 88) = ( 0.4009009 0.4603198 -0.0000000), wk = 0.0019194 k( 89) = ( 0.3963964 0.4681218 -0.0000000), wk = 0.0019194 k( 90) = ( 0.3918919 0.4759239 -0.0000000), wk = 0.0019194 k( 91) = ( 0.3873874 0.4837259 -0.0000000), wk = 0.0019194 k( 92) = ( 0.3828829 0.4915279 -0.0000000), wk = 0.0019194 k( 93) = ( 0.3783784 0.4993300 -0.0000000), wk = 0.0019194 k( 94) = ( 0.3738739 0.5071320 -0.0000000), wk = 0.0019194 k( 95) = ( 0.3693694 0.5149340 -0.0000000), wk = 0.0019194 k( 96) = ( 0.3648649 0.5227361 -0.0000000), wk = 0.0019194 k( 97) = ( 0.3603604 0.5305381 -0.0000000), wk = 0.0019194 k( 98) = ( 0.3558559 0.5383401 -0.0000000), wk = 0.0019194 k( 99) = ( 0.3513514 0.5461421 -0.0000000), wk = 0.0019194 k( 100) = ( 0.3468468 0.5539442 -0.0000000), wk = 0.0019194 k( 101) = ( 0.3423423 0.5617462 -0.0000000), wk = 0.0019194 k( 102) = ( 0.3378378 0.5695482 -0.0000000), wk = 0.0019194 k( 103) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019194 k( 104) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019194 k( 105) = ( 0.3288288 0.5695482 -0.0000000), wk = 0.0019194 k( 106) = ( 0.3243243 0.5617462 -0.0000000), wk = 0.0019194 k( 107) = ( 0.3198198 0.5539442 -0.0000000), wk = 0.0019194 k( 108) = ( 0.3153153 0.5461422 -0.0000000), wk = 0.0019194 k( 109) = ( 0.3108108 0.5383401 -0.0000000), wk = 0.0019194 k( 110) = ( 0.3063063 0.5305381 -0.0000000), wk = 0.0019194 k( 111) = ( 0.3018018 0.5227361 -0.0000000), wk = 0.0019194 k( 112) = ( 0.2972973 0.5149340 -0.0000000), wk = 0.0019194 k( 113) = ( 0.2927928 0.5071320 -0.0000000), wk = 0.0019194 k( 114) = ( 0.2882883 0.4993300 -0.0000000), wk = 0.0019194 k( 115) = ( 0.2837838 0.4915279 -0.0000000), wk = 0.0019194 k( 116) = ( 0.2792793 0.4837259 -0.0000000), wk = 0.0019194 k( 117) = ( 0.2747748 0.4759239 -0.0000000), wk = 0.0019194 k( 118) = ( 0.2702703 0.4681218 -0.0000000), wk = 0.0019194 k( 119) = ( 0.2657658 0.4603198 -0.0000000), wk = 0.0019194 k( 120) = ( 0.2612613 0.4525178 -0.0000000), wk = 0.0019194 k( 121) = ( 0.2567568 0.4447158 -0.0000000), wk = 0.0019194 k( 122) = ( 0.2522523 0.4369137 -0.0000000), wk = 0.0019194 k( 123) = ( 0.2477477 0.4291117 -0.0000000), wk = 0.0019194 k( 124) = ( 0.2432432 0.4213097 -0.0000000), wk = 0.0019194 k( 125) = ( 0.2387387 0.4135076 -0.0000000), wk = 0.0019194 k( 126) = ( 0.2342342 0.4057056 -0.0000000), wk = 0.0019194 k( 127) = ( 0.2297297 0.3979036 -0.0000000), wk = 0.0019194 k( 128) = ( 0.2252252 0.3901015 -0.0000000), wk = 0.0019194 k( 129) = ( 0.2207207 0.3822995 -0.0000000), wk = 0.0019194 k( 130) = ( 0.2162162 0.3744975 -0.0000000), wk = 0.0019194 k( 131) = ( 0.2117117 0.3666954 -0.0000000), wk = 0.0019194 k( 132) = ( 0.2072072 0.3588934 -0.0000000), wk = 0.0019194 k( 133) = ( 0.2027027 0.3510914 -0.0000000), wk = 0.0019194 k( 134) = ( 0.1981982 0.3432894 -0.0000000), wk = 0.0019194 k( 135) = ( 0.1936937 0.3354873 -0.0000000), wk = 0.0019194 k( 136) = ( 0.1891892 0.3276853 -0.0000000), wk = 0.0019194 k( 137) = ( 0.1846847 0.3198832 -0.0000000), wk = 0.0019194 k( 138) = ( 0.1801802 0.3120812 -0.0000000), wk = 0.0019194 k( 139) = ( 0.1756757 0.3042792 -0.0000000), wk = 0.0019194 k( 140) = ( 0.1711712 0.2964772 -0.0000000), wk = 0.0019194 k( 141) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0019194 k( 142) = ( 0.1621622 0.2808731 -0.0000000), wk = 0.0019194 k( 143) = ( 0.1576577 0.2730711 -0.0000000), wk = 0.0019194 k( 144) = ( 0.1531531 0.2652690 -0.0000000), wk = 0.0019194 k( 145) = ( 0.1486486 0.2574670 -0.0000000), wk = 0.0019194 k( 146) = ( 0.1441441 0.2496650 -0.0000000), wk = 0.0019194 k( 147) = ( 0.1396396 0.2418630 -0.0000000), wk = 0.0019194 k( 148) = ( 0.1351351 0.2340609 -0.0000000), wk = 0.0019194 k( 149) = ( 0.1306306 0.2262589 -0.0000000), wk = 0.0019194 k( 150) = ( 0.1261261 0.2184569 -0.0000000), wk = 0.0019194 k( 151) = ( 0.1216216 0.2106548 -0.0000000), wk = 0.0019194 k( 152) = ( 0.1171171 0.2028528 -0.0000000), wk = 0.0019194 k( 153) = ( 0.1126126 0.1950508 -0.0000000), wk = 0.0019194 k( 154) = ( 0.1081081 0.1872487 -0.0000000), wk = 0.0019194 k( 155) = ( 0.1036036 0.1794467 -0.0000000), wk = 0.0019194 k( 156) = ( 0.0990991 0.1716447 -0.0000000), wk = 0.0019194 k( 157) = ( 0.0945946 0.1638426 -0.0000000), wk = 0.0019194 k( 158) = ( 0.0900901 0.1560406 -0.0000000), wk = 0.0019194 k( 159) = ( 0.0855856 0.1482386 -0.0000000), wk = 0.0019194 k( 160) = ( 0.0810811 0.1404366 -0.0000000), wk = 0.0019194 k( 161) = ( 0.0765766 0.1326345 -0.0000000), wk = 0.0019194 k( 162) = ( 0.0720721 0.1248325 -0.0000000), wk = 0.0019194 k( 163) = ( 0.0675676 0.1170305 -0.0000000), wk = 0.0019194 k( 164) = ( 0.0630631 0.1092284 -0.0000000), wk = 0.0019194 k( 165) = ( 0.0585586 0.1014264 -0.0000000), wk = 0.0019194 k( 166) = ( 0.0540540 0.0936244 -0.0000000), wk = 0.0019194 k( 167) = ( 0.0495495 0.0858223 -0.0000000), wk = 0.0019194 k( 168) = ( 0.0450451 0.0780203 -0.0000000), wk = 0.0019194 k( 169) = ( 0.0405405 0.0702183 -0.0000000), wk = 0.0019194 k( 170) = ( 0.0360360 0.0624163 -0.0000000), wk = 0.0019194 k( 171) = ( 0.0315315 0.0546142 -0.0000000), wk = 0.0019194 k( 172) = ( 0.0270270 0.0468122 -0.0000000), wk = 0.0019194 k( 173) = ( 0.0225225 0.0390101 -0.0000000), wk = 0.0019194 k( 174) = ( 0.0180180 0.0312081 -0.0000000), wk = 0.0019194 k( 175) = ( 0.0135135 0.0234061 -0.0000000), wk = 0.0019194 k( 176) = ( 0.0090090 0.0156041 -0.0000000), wk = 0.0019194 k( 177) = ( 0.0045045 0.0078020 -0.0000000), wk = 0.0019194 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019194 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019194 k( 180) = ( 0.0000000 0.0000000 0.0091161), wk = 0.0019194 k( 181) = ( 0.0000000 0.0000000 0.0182322), wk = 0.0019194 k( 182) = ( 0.0000000 0.0000000 0.0273484), wk = 0.0019194 k( 183) = ( 0.0000000 0.0000000 0.0364645), wk = 0.0019194 k( 184) = ( 0.0000000 0.0000000 0.0455806), wk = 0.0019194 k( 185) = ( 0.0000000 0.0000000 0.0546967), wk = 0.0019194 k( 186) = ( 0.0000000 0.0000000 0.0638129), wk = 0.0019194 k( 187) = ( 0.0000000 0.0000000 0.0729290), wk = 0.0019194 k( 188) = ( 0.0000000 0.0000000 0.0820451), wk = 0.0019194 k( 189) = ( 0.0000000 0.0000000 0.0911612), wk = 0.0019194 k( 190) = ( 0.0000000 0.0000000 0.1002774), wk = 0.0019194 k( 191) = ( 0.0000000 0.0000000 0.1093935), wk = 0.0019194 k( 192) = ( 0.0000000 0.0000000 0.1185096), wk = 0.0019194 k( 193) = ( 0.0000000 0.0000000 0.1276257), wk = 0.0019194 k( 194) = ( 0.0000000 0.0000000 0.1367419), wk = 0.0019194 k( 195) = ( 0.0000000 0.0000000 0.1458580), wk = 0.0019194 k( 196) = ( 0.0000000 0.0000000 0.1549741), wk = 0.0019194 k( 197) = ( 0.0000000 0.0000000 0.1640902), wk = 0.0019194 k( 198) = ( 0.0000000 0.0000000 0.1732064), wk = 0.0019194 k( 199) = ( 0.0000000 0.0000000 0.1823225), wk = 0.0019194 k( 200) = ( 0.0000000 0.0000000 0.1914386), wk = 0.0019194 k( 201) = ( 0.0000000 0.0000000 0.2005547), wk = 0.0019194 k( 202) = ( 0.0000000 0.0000000 0.2096708), wk = 0.0019194 k( 203) = ( 0.0000000 0.0000000 0.2187870), wk = 0.0019194 k( 204) = ( 0.0000000 0.0000000 0.2279031), wk = 0.0019194 k( 205) = ( 0.0000000 0.0000000 0.2370192), wk = 0.0019194 k( 206) = ( 0.0000000 0.0000000 0.2461353), wk = 0.0019194 k( 207) = ( 0.0000000 0.0000000 0.2552515), wk = 0.0019194 k( 208) = ( 0.0000000 0.0000000 0.2643676), wk = 0.0019194 k( 209) = ( 0.0000000 0.0000000 0.2734837), wk = 0.0019194 k( 210) = ( 0.0000000 0.0000000 0.2825998), wk = 0.0019194 k( 211) = ( 0.0000000 0.0000000 0.2917160), wk = 0.0019194 k( 212) = ( 0.0000000 0.0000000 0.3008321), wk = 0.0019194 k( 213) = ( 0.0000000 0.0000000 0.3099482), wk = 0.0019194 k( 214) = ( 0.0000000 0.0000000 0.3190643), wk = 0.0019194 k( 215) = ( 0.0000000 0.0000000 0.3281805), wk = 0.0019194 k( 216) = ( 0.0000000 0.0000000 0.3372966), wk = 0.0019194 k( 217) = ( 0.0000000 0.0000000 0.3464127), wk = 0.0019194 k( 218) = ( 0.0000000 0.0000000 0.3555288), wk = 0.0019194 k( 219) = ( 0.0000000 0.0000000 0.3646450), wk = 0.0019194 k( 220) = ( 0.0000000 0.0000000 0.3737611), wk = 0.0019194 k( 221) = ( 0.0000000 0.0000000 0.3828772), wk = 0.0019194 k( 222) = ( 0.0000000 0.0000000 0.3919933), wk = 0.0019194 k( 223) = ( 0.0000000 0.0000000 0.4011095), wk = 0.0019194 k( 224) = ( 0.0000000 0.0000000 0.4102256), wk = 0.0019194 k( 225) = ( 0.0000000 0.0000000 0.4193417), wk = 0.0019194 k( 226) = ( 0.0000000 0.0000000 0.4284578), wk = 0.0019194 k( 227) = ( 0.0000000 0.0000000 0.4375739), wk = 0.0019194 k( 228) = ( 0.0000000 0.0000000 0.4466901), wk = 0.0019194 k( 229) = ( 0.0000000 0.0000000 0.4558062), wk = 0.0019194 k( 230) = ( 0.0000000 0.0000000 0.4649223), wk = 0.0019194 k( 231) = ( 0.0000000 0.0000000 0.4740384), wk = 0.0019194 k( 232) = ( 0.0000000 0.0000000 0.4831546), wk = 0.0019194 k( 233) = ( 0.0000000 0.0000000 0.4922707), wk = 0.0019194 k( 234) = ( 0.0000000 0.0000000 0.4922707), wk = 0.0019194 k( 235) = ( 0.0078125 0.0045105 0.4922707), wk = 0.0019194 k( 236) = ( 0.0156250 0.0090211 0.4922707), wk = 0.0019194 k( 237) = ( 0.0234375 0.0135316 0.4922707), wk = 0.0019194 k( 238) = ( 0.0312500 0.0180422 0.4922707), wk = 0.0019194 k( 239) = ( 0.0390625 0.0225527 0.4922707), wk = 0.0019194 k( 240) = ( 0.0468750 0.0270633 0.4922707), wk = 0.0019194 k( 241) = ( 0.0546875 0.0315738 0.4922707), wk = 0.0019194 k( 242) = ( 0.0625000 0.0360844 0.4922707), wk = 0.0019194 k( 243) = ( 0.0703125 0.0405949 0.4922707), wk = 0.0019194 k( 244) = ( 0.0781250 0.0451055 0.4922707), wk = 0.0019194 k( 245) = ( 0.0859375 0.0496160 0.4922707), wk = 0.0019194 k( 246) = ( 0.0937500 0.0541266 0.4922707), wk = 0.0019194 k( 247) = ( 0.1015625 0.0586371 0.4922707), wk = 0.0019194 k( 248) = ( 0.1093750 0.0631477 0.4922707), wk = 0.0019194 k( 249) = ( 0.1171875 0.0676582 0.4922707), wk = 0.0019194 k( 250) = ( 0.1250000 0.0721688 0.4922707), wk = 0.0019194 k( 251) = ( 0.1328125 0.0766793 0.4922707), wk = 0.0019194 k( 252) = ( 0.1406250 0.0811899 0.4922707), wk = 0.0019194 k( 253) = ( 0.1484375 0.0857004 0.4922707), wk = 0.0019194 k( 254) = ( 0.1562500 0.0902110 0.4922707), wk = 0.0019194 k( 255) = ( 0.1640625 0.0947215 0.4922707), wk = 0.0019194 k( 256) = ( 0.1718750 0.0992321 0.4922707), wk = 0.0019194 k( 257) = ( 0.1796875 0.1037426 0.4922707), wk = 0.0019194 k( 258) = ( 0.1875000 0.1082532 0.4922707), wk = 0.0019194 k( 259) = ( 0.1953125 0.1127637 0.4922707), wk = 0.0019194 k( 260) = ( 0.2031250 0.1172743 0.4922707), wk = 0.0019194 k( 261) = ( 0.2109375 0.1217848 0.4922707), wk = 0.0019194 k( 262) = ( 0.2187500 0.1262954 0.4922707), wk = 0.0019194 k( 263) = ( 0.2265625 0.1308059 0.4922707), wk = 0.0019194 k( 264) = ( 0.2343750 0.1353165 0.4922707), wk = 0.0019194 k( 265) = ( 0.2421875 0.1398270 0.4922707), wk = 0.0019194 k( 266) = ( 0.2500000 0.1443376 0.4922707), wk = 0.0019194 k( 267) = ( 0.2578125 0.1488481 0.4922707), wk = 0.0019194 k( 268) = ( 0.2656250 0.1533587 0.4922707), wk = 0.0019194 k( 269) = ( 0.2734375 0.1578692 0.4922707), wk = 0.0019194 k( 270) = ( 0.2812500 0.1623798 0.4922707), wk = 0.0019194 k( 271) = ( 0.2890625 0.1668903 0.4922707), wk = 0.0019194 k( 272) = ( 0.2968750 0.1714009 0.4922707), wk = 0.0019194 k( 273) = ( 0.3046875 0.1759114 0.4922707), wk = 0.0019194 k( 274) = ( 0.3125000 0.1804220 0.4922707), wk = 0.0019194 k( 275) = ( 0.3203125 0.1849325 0.4922707), wk = 0.0019194 k( 276) = ( 0.3281250 0.1894431 0.4922707), wk = 0.0019194 k( 277) = ( 0.3359375 0.1939536 0.4922707), wk = 0.0019194 k( 278) = ( 0.3437500 0.1984642 0.4922707), wk = 0.0019194 k( 279) = ( 0.3515625 0.2029747 0.4922707), wk = 0.0019194 k( 280) = ( 0.3593750 0.2074853 0.4922707), wk = 0.0019194 k( 281) = ( 0.3671875 0.2119958 0.4922707), wk = 0.0019194 k( 282) = ( 0.3750000 0.2165064 0.4922707), wk = 0.0019194 k( 283) = ( 0.3828125 0.2210169 0.4922707), wk = 0.0019194 k( 284) = ( 0.3906250 0.2255274 0.4922707), wk = 0.0019194 k( 285) = ( 0.3984375 0.2300380 0.4922707), wk = 0.0019194 k( 286) = ( 0.4062500 0.2345485 0.4922707), wk = 0.0019194 k( 287) = ( 0.4140625 0.2390591 0.4922707), wk = 0.0019194 k( 288) = ( 0.4218750 0.2435696 0.4922707), wk = 0.0019194 k( 289) = ( 0.4296875 0.2480802 0.4922707), wk = 0.0019194 k( 290) = ( 0.4375000 0.2525907 0.4922707), wk = 0.0019194 k( 291) = ( 0.4453125 0.2571013 0.4922707), wk = 0.0019194 k( 292) = ( 0.4531250 0.2616118 0.4922707), wk = 0.0019194 k( 293) = ( 0.4609375 0.2661224 0.4922707), wk = 0.0019194 k( 294) = ( 0.4687500 0.2706329 0.4922707), wk = 0.0019194 k( 295) = ( 0.4765625 0.2751435 0.4922707), wk = 0.0019194 k( 296) = ( 0.4843750 0.2796540 0.4922707), wk = 0.0019194 k( 297) = ( 0.4921875 0.2841646 0.4922707), wk = 0.0019194 k( 298) = ( 0.5000000 0.2886751 0.4922707), wk = 0.0019194 k( 299) = ( 0.5000000 0.2886751 0.4922707), wk = 0.0019194 k( 300) = ( 0.4954955 0.2964772 0.4922707), wk = 0.0019194 k( 301) = ( 0.4909910 0.3042792 0.4922707), wk = 0.0019194 k( 302) = ( 0.4864865 0.3120812 0.4922707), wk = 0.0019194 k( 303) = ( 0.4819820 0.3198833 0.4922707), wk = 0.0019194 k( 304) = ( 0.4774775 0.3276853 0.4922707), wk = 0.0019194 k( 305) = ( 0.4729730 0.3354873 0.4922707), wk = 0.0019194 k( 306) = ( 0.4684685 0.3432893 0.4922707), wk = 0.0019194 k( 307) = ( 0.4639640 0.3510914 0.4922707), wk = 0.0019194 k( 308) = ( 0.4594595 0.3588934 0.4922707), wk = 0.0019194 k( 309) = ( 0.4549550 0.3666954 0.4922707), wk = 0.0019194 k( 310) = ( 0.4504505 0.3744975 0.4922707), wk = 0.0019194 k( 311) = ( 0.4459459 0.3822995 0.4922707), wk = 0.0019194 k( 312) = ( 0.4414414 0.3901015 0.4922707), wk = 0.0019194 k( 313) = ( 0.4369369 0.3979036 0.4922707), wk = 0.0019194 k( 314) = ( 0.4324324 0.4057056 0.4922707), wk = 0.0019194 k( 315) = ( 0.4279279 0.4135076 0.4922707), wk = 0.0019194 k( 316) = ( 0.4234234 0.4213097 0.4922707), wk = 0.0019194 k( 317) = ( 0.4189189 0.4291117 0.4922707), wk = 0.0019194 k( 318) = ( 0.4144144 0.4369137 0.4922707), wk = 0.0019194 k( 319) = ( 0.4099099 0.4447157 0.4922707), wk = 0.0019194 k( 320) = ( 0.4054054 0.4525178 0.4922707), wk = 0.0019194 k( 321) = ( 0.4009009 0.4603198 0.4922707), wk = 0.0019194 k( 322) = ( 0.3963964 0.4681218 0.4922707), wk = 0.0019194 k( 323) = ( 0.3918919 0.4759239 0.4922707), wk = 0.0019194 k( 324) = ( 0.3873874 0.4837259 0.4922707), wk = 0.0019194 k( 325) = ( 0.3828829 0.4915279 0.4922707), wk = 0.0019194 k( 326) = ( 0.3783784 0.4993300 0.4922707), wk = 0.0019194 k( 327) = ( 0.3738739 0.5071320 0.4922707), wk = 0.0019194 k( 328) = ( 0.3693694 0.5149340 0.4922707), wk = 0.0019194 k( 329) = ( 0.3648649 0.5227361 0.4922707), wk = 0.0019194 k( 330) = ( 0.3603604 0.5305381 0.4922707), wk = 0.0019194 k( 331) = ( 0.3558559 0.5383401 0.4922707), wk = 0.0019194 k( 332) = ( 0.3513514 0.5461421 0.4922707), wk = 0.0019194 k( 333) = ( 0.3468468 0.5539442 0.4922707), wk = 0.0019194 k( 334) = ( 0.3423423 0.5617462 0.4922707), wk = 0.0019194 k( 335) = ( 0.3378378 0.5695482 0.4922707), wk = 0.0019194 k( 336) = ( 0.3333333 0.5773503 0.4922707), wk = 0.0019194 k( 337) = ( 0.3333333 0.5773503 0.4922707), wk = 0.0019194 k( 338) = ( 0.3288288 0.5695482 0.4922707), wk = 0.0019194 k( 339) = ( 0.3243243 0.5617462 0.4922707), wk = 0.0019194 k( 340) = ( 0.3198198 0.5539442 0.4922707), wk = 0.0019194 k( 341) = ( 0.3153153 0.5461422 0.4922707), wk = 0.0019194 k( 342) = ( 0.3108108 0.5383401 0.4922707), wk = 0.0019194 k( 343) = ( 0.3063063 0.5305381 0.4922707), wk = 0.0019194 k( 344) = ( 0.3018018 0.5227361 0.4922707), wk = 0.0019194 k( 345) = ( 0.2972973 0.5149340 0.4922707), wk = 0.0019194 k( 346) = ( 0.2927928 0.5071320 0.4922707), wk = 0.0019194 k( 347) = ( 0.2882883 0.4993300 0.4922707), wk = 0.0019194 k( 348) = ( 0.2837838 0.4915279 0.4922707), wk = 0.0019194 k( 349) = ( 0.2792793 0.4837259 0.4922707), wk = 0.0019194 k( 350) = ( 0.2747748 0.4759239 0.4922707), wk = 0.0019194 k( 351) = ( 0.2702703 0.4681218 0.4922707), wk = 0.0019194 k( 352) = ( 0.2657658 0.4603198 0.4922707), wk = 0.0019194 k( 353) = ( 0.2612613 0.4525178 0.4922707), wk = 0.0019194 k( 354) = ( 0.2567568 0.4447158 0.4922707), wk = 0.0019194 k( 355) = ( 0.2522523 0.4369137 0.4922707), wk = 0.0019194 k( 356) = ( 0.2477477 0.4291117 0.4922707), wk = 0.0019194 k( 357) = ( 0.2432432 0.4213097 0.4922707), wk = 0.0019194 k( 358) = ( 0.2387387 0.4135076 0.4922707), wk = 0.0019194 k( 359) = ( 0.2342342 0.4057056 0.4922707), wk = 0.0019194 k( 360) = ( 0.2297297 0.3979036 0.4922707), wk = 0.0019194 k( 361) = ( 0.2252252 0.3901015 0.4922707), wk = 0.0019194 k( 362) = ( 0.2207207 0.3822995 0.4922707), wk = 0.0019194 k( 363) = ( 0.2162162 0.3744975 0.4922707), wk = 0.0019194 k( 364) = ( 0.2117117 0.3666954 0.4922707), wk = 0.0019194 k( 365) = ( 0.2072072 0.3588934 0.4922707), wk = 0.0019194 k( 366) = ( 0.2027027 0.3510914 0.4922707), wk = 0.0019194 k( 367) = ( 0.1981982 0.3432894 0.4922707), wk = 0.0019194 k( 368) = ( 0.1936937 0.3354873 0.4922707), wk = 0.0019194 k( 369) = ( 0.1891892 0.3276853 0.4922707), wk = 0.0019194 k( 370) = ( 0.1846847 0.3198832 0.4922707), wk = 0.0019194 k( 371) = ( 0.1801802 0.3120812 0.4922707), wk = 0.0019194 k( 372) = ( 0.1756757 0.3042792 0.4922707), wk = 0.0019194 k( 373) = ( 0.1711712 0.2964772 0.4922707), wk = 0.0019194 k( 374) = ( 0.1666667 0.2886751 0.4922707), wk = 0.0019194 k( 375) = ( 0.1621622 0.2808731 0.4922707), wk = 0.0019194 k( 376) = ( 0.1576577 0.2730711 0.4922707), wk = 0.0019194 k( 377) = ( 0.1531531 0.2652690 0.4922707), wk = 0.0019194 k( 378) = ( 0.1486486 0.2574670 0.4922707), wk = 0.0019194 k( 379) = ( 0.1441441 0.2496650 0.4922707), wk = 0.0019194 k( 380) = ( 0.1396396 0.2418630 0.4922707), wk = 0.0019194 k( 381) = ( 0.1351351 0.2340609 0.4922707), wk = 0.0019194 k( 382) = ( 0.1306306 0.2262589 0.4922707), wk = 0.0019194 k( 383) = ( 0.1261261 0.2184569 0.4922707), wk = 0.0019194 k( 384) = ( 0.1216216 0.2106548 0.4922707), wk = 0.0019194 k( 385) = ( 0.1171171 0.2028528 0.4922707), wk = 0.0019194 k( 386) = ( 0.1126126 0.1950508 0.4922707), wk = 0.0019194 k( 387) = ( 0.1081081 0.1872487 0.4922707), wk = 0.0019194 k( 388) = ( 0.1036036 0.1794467 0.4922707), wk = 0.0019194 k( 389) = ( 0.0990991 0.1716447 0.4922707), wk = 0.0019194 k( 390) = ( 0.0945946 0.1638426 0.4922707), wk = 0.0019194 k( 391) = ( 0.0900901 0.1560406 0.4922707), wk = 0.0019194 k( 392) = ( 0.0855856 0.1482386 0.4922707), wk = 0.0019194 k( 393) = ( 0.0810811 0.1404366 0.4922707), wk = 0.0019194 k( 394) = ( 0.0765766 0.1326345 0.4922707), wk = 0.0019194 k( 395) = ( 0.0720721 0.1248325 0.4922707), wk = 0.0019194 k( 396) = ( 0.0675676 0.1170305 0.4922707), wk = 0.0019194 k( 397) = ( 0.0630631 0.1092284 0.4922707), wk = 0.0019194 k( 398) = ( 0.0585586 0.1014264 0.4922707), wk = 0.0019194 k( 399) = ( 0.0540540 0.0936244 0.4922707), wk = 0.0019194 k( 400) = ( 0.0495495 0.0858223 0.4922707), wk = 0.0019194 k( 401) = ( 0.0450451 0.0780203 0.4922707), wk = 0.0019194 k( 402) = ( 0.0405405 0.0702183 0.4922707), wk = 0.0019194 k( 403) = ( 0.0360360 0.0624163 0.4922707), wk = 0.0019194 k( 404) = ( 0.0315315 0.0546142 0.4922707), wk = 0.0019194 k( 405) = ( 0.0270270 0.0468122 0.4922707), wk = 0.0019194 k( 406) = ( 0.0225225 0.0390101 0.4922707), wk = 0.0019194 k( 407) = ( 0.0180180 0.0312081 0.4922707), wk = 0.0019194 k( 408) = ( 0.0135135 0.0234061 0.4922707), wk = 0.0019194 k( 409) = ( 0.0090090 0.0156041 0.4922707), wk = 0.0019194 k( 410) = ( 0.0045045 0.0078020 0.4922707), wk = 0.0019194 k( 411) = ( 0.0000000 0.0000000 0.4922707), wk = 0.0019194 k( 412) = ( 0.5000000 0.2886751 0.4922707), wk = 0.0019194 k( 413) = ( 0.5000000 0.2886751 0.4831546), wk = 0.0019194 k( 414) = ( 0.5000000 0.2886751 0.4740384), wk = 0.0019194 k( 415) = ( 0.5000000 0.2886751 0.4649223), wk = 0.0019194 k( 416) = ( 0.5000000 0.2886751 0.4558062), wk = 0.0019194 k( 417) = ( 0.5000000 0.2886751 0.4466901), wk = 0.0019194 k( 418) = ( 0.5000000 0.2886751 0.4375739), wk = 0.0019194 k( 419) = ( 0.5000000 0.2886751 0.4284578), wk = 0.0019194 k( 420) = ( 0.5000000 0.2886751 0.4193417), wk = 0.0019194 k( 421) = ( 0.5000000 0.2886751 0.4102256), wk = 0.0019194 k( 422) = ( 0.5000000 0.2886751 0.4011095), wk = 0.0019194 k( 423) = ( 0.5000000 0.2886751 0.3919933), wk = 0.0019194 k( 424) = ( 0.5000000 0.2886751 0.3828772), wk = 0.0019194 k( 425) = ( 0.5000000 0.2886751 0.3737611), wk = 0.0019194 k( 426) = ( 0.5000000 0.2886751 0.3646450), wk = 0.0019194 k( 427) = ( 0.5000000 0.2886751 0.3555288), wk = 0.0019194 k( 428) = ( 0.5000000 0.2886751 0.3464127), wk = 0.0019194 k( 429) = ( 0.5000000 0.2886751 0.3372966), wk = 0.0019194 k( 430) = ( 0.5000000 0.2886751 0.3281805), wk = 0.0019194 k( 431) = ( 0.5000000 0.2886751 0.3190643), wk = 0.0019194 k( 432) = ( 0.5000000 0.2886751 0.3099482), wk = 0.0019194 k( 433) = ( 0.5000000 0.2886751 0.3008321), wk = 0.0019194 k( 434) = ( 0.5000000 0.2886751 0.2917160), wk = 0.0019194 k( 435) = ( 0.5000000 0.2886751 0.2825998), wk = 0.0019194 k( 436) = ( 0.5000000 0.2886751 0.2734837), wk = 0.0019194 k( 437) = ( 0.5000000 0.2886751 0.2643676), wk = 0.0019194 k( 438) = ( 0.5000000 0.2886751 0.2552515), wk = 0.0019194 k( 439) = ( 0.5000000 0.2886751 0.2461353), wk = 0.0019194 k( 440) = ( 0.5000000 0.2886751 0.2370192), wk = 0.0019194 k( 441) = ( 0.5000000 0.2886751 0.2279031), wk = 0.0019194 k( 442) = ( 0.5000000 0.2886751 0.2187870), wk = 0.0019194 k( 443) = ( 0.5000000 0.2886751 0.2096708), wk = 0.0019194 k( 444) = ( 0.5000000 0.2886751 0.2005547), wk = 0.0019194 k( 445) = ( 0.5000000 0.2886751 0.1914386), wk = 0.0019194 k( 446) = ( 0.5000000 0.2886751 0.1823225), wk = 0.0019194 k( 447) = ( 0.5000000 0.2886751 0.1732064), wk = 0.0019194 k( 448) = ( 0.5000000 0.2886751 0.1640902), wk = 0.0019194 k( 449) = ( 0.5000000 0.2886751 0.1549741), wk = 0.0019194 k( 450) = ( 0.5000000 0.2886751 0.1458580), wk = 0.0019194 k( 451) = ( 0.5000000 0.2886751 0.1367419), wk = 0.0019194 k( 452) = ( 0.5000000 0.2886751 0.1276257), wk = 0.0019194 k( 453) = ( 0.5000000 0.2886751 0.1185096), wk = 0.0019194 k( 454) = ( 0.5000000 0.2886751 0.1093935), wk = 0.0019194 k( 455) = ( 0.5000000 0.2886751 0.1002774), wk = 0.0019194 k( 456) = ( 0.5000000 0.2886751 0.0911612), wk = 0.0019194 k( 457) = ( 0.5000000 0.2886751 0.0820451), wk = 0.0019194 k( 458) = ( 0.5000000 0.2886751 0.0729290), wk = 0.0019194 k( 459) = ( 0.5000000 0.2886751 0.0638129), wk = 0.0019194 k( 460) = ( 0.5000000 0.2886751 0.0546967), wk = 0.0019194 k( 461) = ( 0.5000000 0.2886751 0.0455806), wk = 0.0019194 k( 462) = ( 0.5000000 0.2886751 0.0364645), wk = 0.0019194 k( 463) = ( 0.5000000 0.2886751 0.0273484), wk = 0.0019194 k( 464) = ( 0.5000000 0.2886751 0.0182322), wk = 0.0019194 k( 465) = ( 0.5000000 0.2886751 0.0091161), wk = 0.0019194 k( 466) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019194 k( 467) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019194 k( 468) = ( 0.3333333 0.5773503 0.0091161), wk = 0.0019194 k( 469) = ( 0.3333333 0.5773503 0.0182322), wk = 0.0019194 k( 470) = ( 0.3333333 0.5773503 0.0273484), wk = 0.0019194 k( 471) = ( 0.3333333 0.5773503 0.0364645), wk = 0.0019194 k( 472) = ( 0.3333333 0.5773503 0.0455806), wk = 0.0019194 k( 473) = ( 0.3333333 0.5773503 0.0546967), wk = 0.0019194 k( 474) = ( 0.3333333 0.5773503 0.0638129), wk = 0.0019194 k( 475) = ( 0.3333333 0.5773503 0.0729290), wk = 0.0019194 k( 476) = ( 0.3333333 0.5773503 0.0820451), wk = 0.0019194 k( 477) = ( 0.3333333 0.5773503 0.0911612), wk = 0.0019194 k( 478) = ( 0.3333333 0.5773503 0.1002774), wk = 0.0019194 k( 479) = ( 0.3333333 0.5773503 0.1093935), wk = 0.0019194 k( 480) = ( 0.3333333 0.5773503 0.1185096), wk = 0.0019194 k( 481) = ( 0.3333333 0.5773503 0.1276257), wk = 0.0019194 k( 482) = ( 0.3333333 0.5773503 0.1367419), wk = 0.0019194 k( 483) = ( 0.3333333 0.5773503 0.1458580), wk = 0.0019194 k( 484) = ( 0.3333333 0.5773503 0.1549741), wk = 0.0019194 k( 485) = ( 0.3333333 0.5773503 0.1640902), wk = 0.0019194 k( 486) = ( 0.3333333 0.5773503 0.1732064), wk = 0.0019194 k( 487) = ( 0.3333333 0.5773503 0.1823225), wk = 0.0019194 k( 488) = ( 0.3333333 0.5773503 0.1914386), wk = 0.0019194 k( 489) = ( 0.3333333 0.5773503 0.2005547), wk = 0.0019194 k( 490) = ( 0.3333333 0.5773503 0.2096708), wk = 0.0019194 k( 491) = ( 0.3333333 0.5773503 0.2187870), wk = 0.0019194 k( 492) = ( 0.3333333 0.5773503 0.2279031), wk = 0.0019194 k( 493) = ( 0.3333333 0.5773503 0.2370192), wk = 0.0019194 k( 494) = ( 0.3333333 0.5773503 0.2461353), wk = 0.0019194 k( 495) = ( 0.3333333 0.5773503 0.2552515), wk = 0.0019194 k( 496) = ( 0.3333333 0.5773503 0.2643676), wk = 0.0019194 k( 497) = ( 0.3333333 0.5773503 0.2734837), wk = 0.0019194 k( 498) = ( 0.3333333 0.5773503 0.2825998), wk = 0.0019194 k( 499) = ( 0.3333333 0.5773503 0.2917160), wk = 0.0019194 k( 500) = ( 0.3333333 0.5773503 0.3008321), wk = 0.0019194 k( 501) = ( 0.3333333 0.5773503 0.3099482), wk = 0.0019194 k( 502) = ( 0.3333333 0.5773503 0.3190643), wk = 0.0019194 k( 503) = ( 0.3333333 0.5773503 0.3281805), wk = 0.0019194 k( 504) = ( 0.3333333 0.5773503 0.3372966), wk = 0.0019194 k( 505) = ( 0.3333333 0.5773503 0.3464127), wk = 0.0019194 k( 506) = ( 0.3333333 0.5773503 0.3555288), wk = 0.0019194 k( 507) = ( 0.3333333 0.5773503 0.3646450), wk = 0.0019194 k( 508) = ( 0.3333333 0.5773503 0.3737611), wk = 0.0019194 k( 509) = ( 0.3333333 0.5773503 0.3828772), wk = 0.0019194 k( 510) = ( 0.3333333 0.5773503 0.3919933), wk = 0.0019194 k( 511) = ( 0.3333333 0.5773503 0.4011095), wk = 0.0019194 k( 512) = ( 0.3333333 0.5773503 0.4102256), wk = 0.0019194 k( 513) = ( 0.3333333 0.5773503 0.4193417), wk = 0.0019194 k( 514) = ( 0.3333333 0.5773503 0.4284578), wk = 0.0019194 k( 515) = ( 0.3333333 0.5773503 0.4375739), wk = 0.0019194 k( 516) = ( 0.3333333 0.5773503 0.4466901), wk = 0.0019194 k( 517) = ( 0.3333333 0.5773503 0.4558062), wk = 0.0019194 k( 518) = ( 0.3333333 0.5773503 0.4649223), wk = 0.0019194 k( 519) = ( 0.3333333 0.5773503 0.4740384), wk = 0.0019194 k( 520) = ( 0.3333333 0.5773503 0.4831546), wk = 0.0019194 k( 521) = ( 0.3333333 0.5773503 0.4922707), wk = 0.0019194 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019194 k( 2) = ( 0.0078125 0.0000000 0.0000000), wk = 0.0019194 k( 3) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0019194 k( 4) = ( 0.0234375 0.0000000 0.0000000), wk = 0.0019194 k( 5) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0019194 k( 6) = ( 0.0390625 0.0000000 0.0000000), wk = 0.0019194 k( 7) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0019194 k( 8) = ( 0.0546875 0.0000000 0.0000000), wk = 0.0019194 k( 9) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0019194 k( 10) = ( 0.0703125 0.0000000 0.0000000), wk = 0.0019194 k( 11) = ( 0.0781250 0.0000000 0.0000000), wk = 0.0019194 k( 12) = ( 0.0859375 0.0000000 0.0000000), wk = 0.0019194 k( 13) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0019194 k( 14) = ( 0.1015625 0.0000000 0.0000000), wk = 0.0019194 k( 15) = ( 0.1093750 0.0000000 0.0000000), wk = 0.0019194 k( 16) = ( 0.1171875 0.0000000 0.0000000), wk = 0.0019194 k( 17) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0019194 k( 18) = ( 0.1328125 0.0000000 0.0000000), wk = 0.0019194 k( 19) = ( 0.1406250 0.0000000 0.0000000), wk = 0.0019194 k( 20) = ( 0.1484375 0.0000000 0.0000000), wk = 0.0019194 k( 21) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0019194 k( 22) = ( 0.1640625 0.0000000 0.0000000), wk = 0.0019194 k( 23) = ( 0.1718750 0.0000000 0.0000000), wk = 0.0019194 k( 24) = ( 0.1796875 0.0000000 0.0000000), wk = 0.0019194 k( 25) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0019194 k( 26) = ( 0.1953125 0.0000000 0.0000000), wk = 0.0019194 k( 27) = ( 0.2031250 0.0000000 0.0000000), wk = 0.0019194 k( 28) = ( 0.2109375 0.0000000 0.0000000), wk = 0.0019194 k( 29) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0019194 k( 30) = ( 0.2265625 0.0000000 0.0000000), wk = 0.0019194 k( 31) = ( 0.2343750 0.0000000 0.0000000), wk = 0.0019194 k( 32) = ( 0.2421875 0.0000000 0.0000000), wk = 0.0019194 k( 33) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0019194 k( 34) = ( 0.2578125 0.0000000 0.0000000), wk = 0.0019194 k( 35) = ( 0.2656250 0.0000000 0.0000000), wk = 0.0019194 k( 36) = ( 0.2734375 0.0000000 0.0000000), wk = 0.0019194 k( 37) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0019194 k( 38) = ( 0.2890625 0.0000000 0.0000000), wk = 0.0019194 k( 39) = ( 0.2968750 0.0000000 0.0000000), wk = 0.0019194 k( 40) = ( 0.3046875 0.0000000 0.0000000), wk = 0.0019194 k( 41) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0019194 k( 42) = ( 0.3203125 0.0000000 0.0000000), wk = 0.0019194 k( 43) = ( 0.3281250 0.0000000 0.0000000), wk = 0.0019194 k( 44) = ( 0.3359375 0.0000000 0.0000000), wk = 0.0019194 k( 45) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0019194 k( 46) = ( 0.3515625 0.0000000 0.0000000), wk = 0.0019194 k( 47) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0019194 k( 48) = ( 0.3671875 0.0000000 0.0000000), wk = 0.0019194 k( 49) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0019194 k( 50) = ( 0.3828125 0.0000000 0.0000000), wk = 0.0019194 k( 51) = ( 0.3906250 0.0000000 0.0000000), wk = 0.0019194 k( 52) = ( 0.3984375 0.0000000 0.0000000), wk = 0.0019194 k( 53) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0019194 k( 54) = ( 0.4140625 0.0000000 0.0000000), wk = 0.0019194 k( 55) = ( 0.4218750 0.0000000 0.0000000), wk = 0.0019194 k( 56) = ( 0.4296875 0.0000000 0.0000000), wk = 0.0019194 k( 57) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0019194 k( 58) = ( 0.4453125 -0.0000000 0.0000000), wk = 0.0019194 k( 59) = ( 0.4531250 0.0000000 0.0000000), wk = 0.0019194 k( 60) = ( 0.4609375 0.0000000 0.0000000), wk = 0.0019194 k( 61) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0019194 k( 62) = ( 0.4765625 0.0000000 0.0000000), wk = 0.0019194 k( 63) = ( 0.4843750 0.0000000 0.0000000), wk = 0.0019194 k( 64) = ( 0.4921875 0.0000000 0.0000000), wk = 0.0019194 k( 65) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019194 k( 66) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019194 k( 67) = ( 0.4954955 0.0090090 0.0000000), wk = 0.0019194 k( 68) = ( 0.4909910 0.0180180 0.0000000), wk = 0.0019194 k( 69) = ( 0.4864865 0.0270270 0.0000000), wk = 0.0019194 k( 70) = ( 0.4819820 0.0360360 0.0000000), wk = 0.0019194 k( 71) = ( 0.4774775 0.0450451 0.0000000), wk = 0.0019194 k( 72) = ( 0.4729730 0.0540540 0.0000000), wk = 0.0019194 k( 73) = ( 0.4684685 0.0630631 -0.0000000), wk = 0.0019194 k( 74) = ( 0.4639640 0.0720721 0.0000000), wk = 0.0019194 k( 75) = ( 0.4594595 0.0810811 0.0000000), wk = 0.0019194 k( 76) = ( 0.4549550 0.0900901 0.0000000), wk = 0.0019194 k( 77) = ( 0.4504505 0.0990991 0.0000000), wk = 0.0019194 k( 78) = ( 0.4459459 0.1081081 0.0000000), wk = 0.0019194 k( 79) = ( 0.4414414 0.1171171 0.0000000), wk = 0.0019194 k( 80) = ( 0.4369369 0.1261261 0.0000000), wk = 0.0019194 k( 81) = ( 0.4324324 0.1351351 -0.0000000), wk = 0.0019194 k( 82) = ( 0.4279279 0.1441441 0.0000000), wk = 0.0019194 k( 83) = ( 0.4234234 0.1531531 0.0000000), wk = 0.0019194 k( 84) = ( 0.4189189 0.1621622 0.0000000), wk = 0.0019194 k( 85) = ( 0.4144144 0.1711712 0.0000000), wk = 0.0019194 k( 86) = ( 0.4099099 0.1801802 0.0000000), wk = 0.0019194 k( 87) = ( 0.4054054 0.1891892 0.0000000), wk = 0.0019194 k( 88) = ( 0.4009009 0.1981982 0.0000000), wk = 0.0019194 k( 89) = ( 0.3963964 0.2072072 0.0000000), wk = 0.0019194 k( 90) = ( 0.3918919 0.2162162 0.0000000), wk = 0.0019194 k( 91) = ( 0.3873874 0.2252252 -0.0000000), wk = 0.0019194 k( 92) = ( 0.3828829 0.2342342 0.0000000), wk = 0.0019194 k( 93) = ( 0.3783784 0.2432432 -0.0000000), wk = 0.0019194 k( 94) = ( 0.3738739 0.2522522 -0.0000000), wk = 0.0019194 k( 95) = ( 0.3693694 0.2612613 0.0000000), wk = 0.0019194 k( 96) = ( 0.3648649 0.2702703 0.0000000), wk = 0.0019194 k( 97) = ( 0.3603604 0.2792793 -0.0000000), wk = 0.0019194 k( 98) = ( 0.3558559 0.2882883 0.0000000), wk = 0.0019194 k( 99) = ( 0.3513514 0.2972973 0.0000000), wk = 0.0019194 k( 100) = ( 0.3468468 0.3063063 0.0000000), wk = 0.0019194 k( 101) = ( 0.3423423 0.3153153 0.0000000), wk = 0.0019194 k( 102) = ( 0.3378378 0.3243243 0.0000000), wk = 0.0019194 k( 103) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019194 k( 104) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019194 k( 105) = ( 0.3288288 0.3288288 0.0000000), wk = 0.0019194 k( 106) = ( 0.3243243 0.3243243 0.0000000), wk = 0.0019194 k( 107) = ( 0.3198198 0.3198198 0.0000000), wk = 0.0019194 k( 108) = ( 0.3153153 0.3153153 0.0000000), wk = 0.0019194 k( 109) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0019194 k( 110) = ( 0.3063063 0.3063063 0.0000000), wk = 0.0019194 k( 111) = ( 0.3018018 0.3018018 -0.0000000), wk = 0.0019194 k( 112) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0019194 k( 113) = ( 0.2927928 0.2927928 -0.0000000), wk = 0.0019194 k( 114) = ( 0.2882883 0.2882883 -0.0000000), wk = 0.0019194 k( 115) = ( 0.2837838 0.2837838 0.0000000), wk = 0.0019194 k( 116) = ( 0.2792793 0.2792793 -0.0000000), wk = 0.0019194 k( 117) = ( 0.2747748 0.2747748 -0.0000000), wk = 0.0019194 k( 118) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0019194 k( 119) = ( 0.2657658 0.2657658 -0.0000000), wk = 0.0019194 k( 120) = ( 0.2612613 0.2612613 0.0000000), wk = 0.0019194 k( 121) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0019194 k( 122) = ( 0.2522523 0.2522522 -0.0000000), wk = 0.0019194 k( 123) = ( 0.2477477 0.2477478 0.0000000), wk = 0.0019194 k( 124) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0019194 k( 125) = ( 0.2387387 0.2387387 0.0000000), wk = 0.0019194 k( 126) = ( 0.2342342 0.2342342 0.0000000), wk = 0.0019194 k( 127) = ( 0.2297297 0.2297297 0.0000000), wk = 0.0019194 k( 128) = ( 0.2252252 0.2252252 0.0000000), wk = 0.0019194 k( 129) = ( 0.2207207 0.2207207 0.0000000), wk = 0.0019194 k( 130) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0019194 k( 131) = ( 0.2117117 0.2117117 0.0000000), wk = 0.0019194 k( 132) = ( 0.2072072 0.2072072 0.0000000), wk = 0.0019194 k( 133) = ( 0.2027027 0.2027027 0.0000000), wk = 0.0019194 k( 134) = ( 0.1981982 0.1981982 0.0000000), wk = 0.0019194 k( 135) = ( 0.1936937 0.1936937 0.0000000), wk = 0.0019194 k( 136) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0019194 k( 137) = ( 0.1846847 0.1846847 0.0000000), wk = 0.0019194 k( 138) = ( 0.1801802 0.1801802 0.0000000), wk = 0.0019194 k( 139) = ( 0.1756757 0.1756757 0.0000000), wk = 0.0019194 k( 140) = ( 0.1711712 0.1711712 0.0000000), wk = 0.0019194 k( 141) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0019194 k( 142) = ( 0.1621622 0.1621622 0.0000000), wk = 0.0019194 k( 143) = ( 0.1576577 0.1576577 0.0000000), wk = 0.0019194 k( 144) = ( 0.1531531 0.1531531 -0.0000000), wk = 0.0019194 k( 145) = ( 0.1486486 0.1486486 0.0000000), wk = 0.0019194 k( 146) = ( 0.1441441 0.1441441 0.0000000), wk = 0.0019194 k( 147) = ( 0.1396396 0.1396396 -0.0000000), wk = 0.0019194 k( 148) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0019194 k( 149) = ( 0.1306306 0.1306306 0.0000000), wk = 0.0019194 k( 150) = ( 0.1261261 0.1261261 0.0000000), wk = 0.0019194 k( 151) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0019194 k( 152) = ( 0.1171171 0.1171171 0.0000000), wk = 0.0019194 k( 153) = ( 0.1126126 0.1126126 0.0000000), wk = 0.0019194 k( 154) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0019194 k( 155) = ( 0.1036036 0.1036036 0.0000000), wk = 0.0019194 k( 156) = ( 0.0990991 0.0990991 0.0000000), wk = 0.0019194 k( 157) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0019194 k( 158) = ( 0.0900901 0.0900901 0.0000000), wk = 0.0019194 k( 159) = ( 0.0855856 0.0855856 0.0000000), wk = 0.0019194 k( 160) = ( 0.0810811 0.0810811 0.0000000), wk = 0.0019194 k( 161) = ( 0.0765766 0.0765766 0.0000000), wk = 0.0019194 k( 162) = ( 0.0720721 0.0720721 0.0000000), wk = 0.0019194 k( 163) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0019194 k( 164) = ( 0.0630631 0.0630631 0.0000000), wk = 0.0019194 k( 165) = ( 0.0585586 0.0585586 0.0000000), wk = 0.0019194 k( 166) = ( 0.0540540 0.0540541 0.0000000), wk = 0.0019194 k( 167) = ( 0.0495495 0.0495495 0.0000000), wk = 0.0019194 k( 168) = ( 0.0450451 0.0450450 -0.0000000), wk = 0.0019194 k( 169) = ( 0.0405405 0.0405405 0.0000000), wk = 0.0019194 k( 170) = ( 0.0360360 0.0360360 0.0000000), wk = 0.0019194 k( 171) = ( 0.0315315 0.0315315 0.0000000), wk = 0.0019194 k( 172) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0019194 k( 173) = ( 0.0225225 0.0225225 0.0000000), wk = 0.0019194 k( 174) = ( 0.0180180 0.0180180 0.0000000), wk = 0.0019194 k( 175) = ( 0.0135135 0.0135135 0.0000000), wk = 0.0019194 k( 176) = ( 0.0090090 0.0090090 0.0000000), wk = 0.0019194 k( 177) = ( 0.0045045 0.0045045 0.0000000), wk = 0.0019194 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019194 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019194 k( 180) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0019194 k( 181) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0019194 k( 182) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0019194 k( 183) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0019194 k( 184) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0019194 k( 185) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0019194 k( 186) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0019194 k( 187) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0019194 k( 188) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0019194 k( 189) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0019194 k( 190) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0019194 k( 191) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0019194 k( 192) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0019194 k( 193) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0019194 k( 194) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0019194 k( 195) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0019194 k( 196) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0019194 k( 197) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0019194 k( 198) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0019194 k( 199) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0019194 k( 200) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0019194 k( 201) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0019194 k( 202) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0019194 k( 203) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0019194 k( 204) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0019194 k( 205) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0019194 k( 206) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019194 k( 207) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0019194 k( 208) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0019194 k( 209) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0019194 k( 210) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0019194 k( 211) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0019194 k( 212) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0019194 k( 213) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0019194 k( 214) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0019194 k( 215) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0019194 k( 216) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0019194 k( 217) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0019194 k( 218) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0019194 k( 219) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0019194 k( 220) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0019194 k( 221) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0019194 k( 222) = ( 0.0000000 0.0000000 0.3981482), wk = 0.0019194 k( 223) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0019194 k( 224) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0019194 k( 225) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0019194 k( 226) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0019194 k( 227) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0019194 k( 228) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0019194 k( 229) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0019194 k( 230) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0019194 k( 231) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0019194 k( 232) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0019194 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019194 k( 234) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019194 k( 235) = ( 0.0078125 0.0000000 0.5000000), wk = 0.0019194 k( 236) = ( 0.0156250 0.0000000 0.5000000), wk = 0.0019194 k( 237) = ( 0.0234375 0.0000000 0.5000000), wk = 0.0019194 k( 238) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0019194 k( 239) = ( 0.0390625 0.0000000 0.5000000), wk = 0.0019194 k( 240) = ( 0.0468750 0.0000000 0.5000000), wk = 0.0019194 k( 241) = ( 0.0546875 0.0000000 0.5000000), wk = 0.0019194 k( 242) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0019194 k( 243) = ( 0.0703125 0.0000000 0.5000000), wk = 0.0019194 k( 244) = ( 0.0781250 0.0000000 0.5000000), wk = 0.0019194 k( 245) = ( 0.0859375 0.0000000 0.5000000), wk = 0.0019194 k( 246) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0019194 k( 247) = ( 0.1015625 0.0000000 0.5000000), wk = 0.0019194 k( 248) = ( 0.1093750 0.0000000 0.5000000), wk = 0.0019194 k( 249) = ( 0.1171875 0.0000000 0.5000000), wk = 0.0019194 k( 250) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0019194 k( 251) = ( 0.1328125 0.0000000 0.5000000), wk = 0.0019194 k( 252) = ( 0.1406250 0.0000000 0.5000000), wk = 0.0019194 k( 253) = ( 0.1484375 0.0000000 0.5000000), wk = 0.0019194 k( 254) = ( 0.1562500 0.0000000 0.5000000), wk = 0.0019194 k( 255) = ( 0.1640625 0.0000000 0.5000000), wk = 0.0019194 k( 256) = ( 0.1718750 0.0000000 0.5000000), wk = 0.0019194 k( 257) = ( 0.1796875 0.0000000 0.5000000), wk = 0.0019194 k( 258) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0019194 k( 259) = ( 0.1953125 0.0000000 0.5000000), wk = 0.0019194 k( 260) = ( 0.2031250 0.0000000 0.5000000), wk = 0.0019194 k( 261) = ( 0.2109375 0.0000000 0.5000000), wk = 0.0019194 k( 262) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0019194 k( 263) = ( 0.2265625 0.0000000 0.5000000), wk = 0.0019194 k( 264) = ( 0.2343750 0.0000000 0.5000000), wk = 0.0019194 k( 265) = ( 0.2421875 0.0000000 0.5000000), wk = 0.0019194 k( 266) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0019194 k( 267) = ( 0.2578125 0.0000000 0.5000000), wk = 0.0019194 k( 268) = ( 0.2656250 0.0000000 0.5000000), wk = 0.0019194 k( 269) = ( 0.2734375 0.0000000 0.5000000), wk = 0.0019194 k( 270) = ( 0.2812500 0.0000000 0.5000000), wk = 0.0019194 k( 271) = ( 0.2890625 0.0000000 0.5000000), wk = 0.0019194 k( 272) = ( 0.2968750 0.0000000 0.5000000), wk = 0.0019194 k( 273) = ( 0.3046875 0.0000000 0.5000000), wk = 0.0019194 k( 274) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0019194 k( 275) = ( 0.3203125 0.0000000 0.5000000), wk = 0.0019194 k( 276) = ( 0.3281250 0.0000000 0.5000000), wk = 0.0019194 k( 277) = ( 0.3359375 0.0000000 0.5000000), wk = 0.0019194 k( 278) = ( 0.3437500 0.0000000 0.5000000), wk = 0.0019194 k( 279) = ( 0.3515625 0.0000000 0.5000000), wk = 0.0019194 k( 280) = ( 0.3593750 0.0000000 0.5000000), wk = 0.0019194 k( 281) = ( 0.3671875 0.0000000 0.5000000), wk = 0.0019194 k( 282) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0019194 k( 283) = ( 0.3828125 0.0000000 0.5000000), wk = 0.0019194 k( 284) = ( 0.3906250 0.0000000 0.5000000), wk = 0.0019194 k( 285) = ( 0.3984375 0.0000000 0.5000000), wk = 0.0019194 k( 286) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0019194 k( 287) = ( 0.4140625 0.0000000 0.5000000), wk = 0.0019194 k( 288) = ( 0.4218750 0.0000000 0.5000000), wk = 0.0019194 k( 289) = ( 0.4296875 0.0000000 0.5000000), wk = 0.0019194 k( 290) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0019194 k( 291) = ( 0.4453125 -0.0000000 0.5000000), wk = 0.0019194 k( 292) = ( 0.4531250 0.0000000 0.5000000), wk = 0.0019194 k( 293) = ( 0.4609375 0.0000000 0.5000000), wk = 0.0019194 k( 294) = ( 0.4687500 0.0000000 0.5000000), wk = 0.0019194 k( 295) = ( 0.4765625 0.0000000 0.5000000), wk = 0.0019194 k( 296) = ( 0.4843750 0.0000000 0.5000000), wk = 0.0019194 k( 297) = ( 0.4921875 0.0000000 0.5000000), wk = 0.0019194 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019194 k( 299) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019194 k( 300) = ( 0.4954955 0.0090090 0.5000000), wk = 0.0019194 k( 301) = ( 0.4909910 0.0180180 0.5000000), wk = 0.0019194 k( 302) = ( 0.4864865 0.0270270 0.5000000), wk = 0.0019194 k( 303) = ( 0.4819820 0.0360360 0.5000000), wk = 0.0019194 k( 304) = ( 0.4774775 0.0450451 0.5000000), wk = 0.0019194 k( 305) = ( 0.4729730 0.0540540 0.5000000), wk = 0.0019194 k( 306) = ( 0.4684685 0.0630631 0.5000000), wk = 0.0019194 k( 307) = ( 0.4639640 0.0720721 0.5000000), wk = 0.0019194 k( 308) = ( 0.4594595 0.0810811 0.5000000), wk = 0.0019194 k( 309) = ( 0.4549550 0.0900901 0.5000000), wk = 0.0019194 k( 310) = ( 0.4504505 0.0990991 0.5000000), wk = 0.0019194 k( 311) = ( 0.4459459 0.1081081 0.5000000), wk = 0.0019194 k( 312) = ( 0.4414414 0.1171171 0.5000000), wk = 0.0019194 k( 313) = ( 0.4369369 0.1261261 0.5000000), wk = 0.0019194 k( 314) = ( 0.4324324 0.1351351 0.5000000), wk = 0.0019194 k( 315) = ( 0.4279279 0.1441441 0.5000000), wk = 0.0019194 k( 316) = ( 0.4234234 0.1531531 0.5000000), wk = 0.0019194 k( 317) = ( 0.4189189 0.1621622 0.5000000), wk = 0.0019194 k( 318) = ( 0.4144144 0.1711712 0.5000000), wk = 0.0019194 k( 319) = ( 0.4099099 0.1801802 0.5000000), wk = 0.0019194 k( 320) = ( 0.4054054 0.1891892 0.5000000), wk = 0.0019194 k( 321) = ( 0.4009009 0.1981982 0.5000000), wk = 0.0019194 k( 322) = ( 0.3963964 0.2072072 0.5000000), wk = 0.0019194 k( 323) = ( 0.3918919 0.2162162 0.5000000), wk = 0.0019194 k( 324) = ( 0.3873874 0.2252252 0.5000000), wk = 0.0019194 k( 325) = ( 0.3828829 0.2342342 0.5000000), wk = 0.0019194 k( 326) = ( 0.3783784 0.2432432 0.5000000), wk = 0.0019194 k( 327) = ( 0.3738739 0.2522522 0.5000000), wk = 0.0019194 k( 328) = ( 0.3693694 0.2612613 0.5000000), wk = 0.0019194 k( 329) = ( 0.3648649 0.2702703 0.5000000), wk = 0.0019194 k( 330) = ( 0.3603604 0.2792793 0.5000000), wk = 0.0019194 k( 331) = ( 0.3558559 0.2882883 0.5000000), wk = 0.0019194 k( 332) = ( 0.3513514 0.2972973 0.5000000), wk = 0.0019194 k( 333) = ( 0.3468468 0.3063063 0.5000000), wk = 0.0019194 k( 334) = ( 0.3423423 0.3153153 0.5000000), wk = 0.0019194 k( 335) = ( 0.3378378 0.3243243 0.5000000), wk = 0.0019194 k( 336) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019194 k( 337) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019194 k( 338) = ( 0.3288288 0.3288288 0.5000000), wk = 0.0019194 k( 339) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0019194 k( 340) = ( 0.3198198 0.3198198 0.5000000), wk = 0.0019194 k( 341) = ( 0.3153153 0.3153153 0.5000000), wk = 0.0019194 k( 342) = ( 0.3108108 0.3108108 0.5000000), wk = 0.0019194 k( 343) = ( 0.3063063 0.3063063 0.5000000), wk = 0.0019194 k( 344) = ( 0.3018018 0.3018018 0.5000000), wk = 0.0019194 k( 345) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0019194 k( 346) = ( 0.2927928 0.2927928 0.5000000), wk = 0.0019194 k( 347) = ( 0.2882883 0.2882883 0.5000000), wk = 0.0019194 k( 348) = ( 0.2837838 0.2837838 0.5000000), wk = 0.0019194 k( 349) = ( 0.2792793 0.2792793 0.5000000), wk = 0.0019194 k( 350) = ( 0.2747748 0.2747748 0.5000000), wk = 0.0019194 k( 351) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0019194 k( 352) = ( 0.2657658 0.2657658 0.5000000), wk = 0.0019194 k( 353) = ( 0.2612613 0.2612613 0.5000000), wk = 0.0019194 k( 354) = ( 0.2567568 0.2567568 0.5000000), wk = 0.0019194 k( 355) = ( 0.2522523 0.2522522 0.5000000), wk = 0.0019194 k( 356) = ( 0.2477477 0.2477478 0.5000000), wk = 0.0019194 k( 357) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0019194 k( 358) = ( 0.2387387 0.2387387 0.5000000), wk = 0.0019194 k( 359) = ( 0.2342342 0.2342342 0.5000000), wk = 0.0019194 k( 360) = ( 0.2297297 0.2297297 0.5000000), wk = 0.0019194 k( 361) = ( 0.2252252 0.2252252 0.5000000), wk = 0.0019194 k( 362) = ( 0.2207207 0.2207207 0.5000000), wk = 0.0019194 k( 363) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0019194 k( 364) = ( 0.2117117 0.2117117 0.5000000), wk = 0.0019194 k( 365) = ( 0.2072072 0.2072072 0.5000000), wk = 0.0019194 k( 366) = ( 0.2027027 0.2027027 0.5000000), wk = 0.0019194 k( 367) = ( 0.1981982 0.1981982 0.5000000), wk = 0.0019194 k( 368) = ( 0.1936937 0.1936937 0.5000000), wk = 0.0019194 k( 369) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0019194 k( 370) = ( 0.1846847 0.1846847 0.5000000), wk = 0.0019194 k( 371) = ( 0.1801802 0.1801802 0.5000000), wk = 0.0019194 k( 372) = ( 0.1756757 0.1756757 0.5000000), wk = 0.0019194 k( 373) = ( 0.1711712 0.1711712 0.5000000), wk = 0.0019194 k( 374) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0019194 k( 375) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0019194 k( 376) = ( 0.1576577 0.1576577 0.5000000), wk = 0.0019194 k( 377) = ( 0.1531531 0.1531531 0.5000000), wk = 0.0019194 k( 378) = ( 0.1486486 0.1486486 0.5000000), wk = 0.0019194 k( 379) = ( 0.1441441 0.1441441 0.5000000), wk = 0.0019194 k( 380) = ( 0.1396396 0.1396396 0.5000000), wk = 0.0019194 k( 381) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0019194 k( 382) = ( 0.1306306 0.1306306 0.5000000), wk = 0.0019194 k( 383) = ( 0.1261261 0.1261261 0.5000000), wk = 0.0019194 k( 384) = ( 0.1216216 0.1216216 0.5000000), wk = 0.0019194 k( 385) = ( 0.1171171 0.1171171 0.5000000), wk = 0.0019194 k( 386) = ( 0.1126126 0.1126126 0.5000000), wk = 0.0019194 k( 387) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0019194 k( 388) = ( 0.1036036 0.1036036 0.5000000), wk = 0.0019194 k( 389) = ( 0.0990991 0.0990991 0.5000000), wk = 0.0019194 k( 390) = ( 0.0945946 0.0945946 0.5000000), wk = 0.0019194 k( 391) = ( 0.0900901 0.0900901 0.5000000), wk = 0.0019194 k( 392) = ( 0.0855856 0.0855856 0.5000000), wk = 0.0019194 k( 393) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0019194 k( 394) = ( 0.0765766 0.0765766 0.5000000), wk = 0.0019194 k( 395) = ( 0.0720721 0.0720721 0.5000000), wk = 0.0019194 k( 396) = ( 0.0675676 0.0675676 0.5000000), wk = 0.0019194 k( 397) = ( 0.0630631 0.0630631 0.5000000), wk = 0.0019194 k( 398) = ( 0.0585586 0.0585586 0.5000000), wk = 0.0019194 k( 399) = ( 0.0540540 0.0540541 0.5000000), wk = 0.0019194 k( 400) = ( 0.0495495 0.0495495 0.5000000), wk = 0.0019194 k( 401) = ( 0.0450451 0.0450450 0.5000000), wk = 0.0019194 k( 402) = ( 0.0405405 0.0405405 0.5000000), wk = 0.0019194 k( 403) = ( 0.0360360 0.0360360 0.5000000), wk = 0.0019194 k( 404) = ( 0.0315315 0.0315315 0.5000000), wk = 0.0019194 k( 405) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0019194 k( 406) = ( 0.0225225 0.0225225 0.5000000), wk = 0.0019194 k( 407) = ( 0.0180180 0.0180180 0.5000000), wk = 0.0019194 k( 408) = ( 0.0135135 0.0135135 0.5000000), wk = 0.0019194 k( 409) = ( 0.0090090 0.0090090 0.5000000), wk = 0.0019194 k( 410) = ( 0.0045045 0.0045045 0.5000000), wk = 0.0019194 k( 411) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019194 k( 412) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019194 k( 413) = ( 0.5000000 0.0000000 0.4907407), wk = 0.0019194 k( 414) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0019194 k( 415) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0019194 k( 416) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0019194 k( 417) = ( 0.5000000 0.0000000 0.4537037), wk = 0.0019194 k( 418) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0019194 k( 419) = ( 0.5000000 0.0000000 0.4351852), wk = 0.0019194 k( 420) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0019194 k( 421) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0019194 k( 422) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0019194 k( 423) = ( 0.5000000 0.0000000 0.3981482), wk = 0.0019194 k( 424) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0019194 k( 425) = ( 0.5000000 0.0000000 0.3796296), wk = 0.0019194 k( 426) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0019194 k( 427) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0019194 k( 428) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0019194 k( 429) = ( 0.5000000 0.0000000 0.3425926), wk = 0.0019194 k( 430) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0019194 k( 431) = ( 0.5000000 0.0000000 0.3240741), wk = 0.0019194 k( 432) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0019194 k( 433) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0019194 k( 434) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0019194 k( 435) = ( 0.5000000 0.0000000 0.2870370), wk = 0.0019194 k( 436) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0019194 k( 437) = ( 0.5000000 0.0000000 0.2685185), wk = 0.0019194 k( 438) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0019194 k( 439) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0019194 k( 440) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0019194 k( 441) = ( 0.5000000 0.0000000 0.2314815), wk = 0.0019194 k( 442) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0019194 k( 443) = ( 0.5000000 0.0000000 0.2129630), wk = 0.0019194 k( 444) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0019194 k( 445) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0019194 k( 446) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0019194 k( 447) = ( 0.5000000 0.0000000 0.1759259), wk = 0.0019194 k( 448) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0019194 k( 449) = ( 0.5000000 0.0000000 0.1574074), wk = 0.0019194 k( 450) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0019194 k( 451) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0019194 k( 452) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0019194 k( 453) = ( 0.5000000 0.0000000 0.1203704), wk = 0.0019194 k( 454) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0019194 k( 455) = ( 0.5000000 0.0000000 0.1018518), wk = 0.0019194 k( 456) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0019194 k( 457) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0019194 k( 458) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0019194 k( 459) = ( 0.5000000 0.0000000 0.0648148), wk = 0.0019194 k( 460) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0019194 k( 461) = ( 0.5000000 0.0000000 0.0462963), wk = 0.0019194 k( 462) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0019194 k( 463) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0019194 k( 464) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0019194 k( 465) = ( 0.5000000 0.0000000 0.0092593), wk = 0.0019194 k( 466) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019194 k( 467) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019194 k( 468) = ( 0.3333333 0.3333333 0.0092593), wk = 0.0019194 k( 469) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0019194 k( 470) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0019194 k( 471) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0019194 k( 472) = ( 0.3333333 0.3333333 0.0462963), wk = 0.0019194 k( 473) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0019194 k( 474) = ( 0.3333333 0.3333333 0.0648148), wk = 0.0019194 k( 475) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0019194 k( 476) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0019194 k( 477) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0019194 k( 478) = ( 0.3333333 0.3333333 0.1018518), wk = 0.0019194 k( 479) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0019194 k( 480) = ( 0.3333333 0.3333333 0.1203704), wk = 0.0019194 k( 481) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0019194 k( 482) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0019194 k( 483) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0019194 k( 484) = ( 0.3333333 0.3333333 0.1574074), wk = 0.0019194 k( 485) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0019194 k( 486) = ( 0.3333333 0.3333333 0.1759259), wk = 0.0019194 k( 487) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0019194 k( 488) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0019194 k( 489) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0019194 k( 490) = ( 0.3333333 0.3333333 0.2129630), wk = 0.0019194 k( 491) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0019194 k( 492) = ( 0.3333333 0.3333333 0.2314815), wk = 0.0019194 k( 493) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0019194 k( 494) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0019194 k( 495) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0019194 k( 496) = ( 0.3333333 0.3333333 0.2685185), wk = 0.0019194 k( 497) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0019194 k( 498) = ( 0.3333333 0.3333333 0.2870370), wk = 0.0019194 k( 499) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0019194 k( 500) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0019194 k( 501) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0019194 k( 502) = ( 0.3333333 0.3333333 0.3240741), wk = 0.0019194 k( 503) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0019194 k( 504) = ( 0.3333333 0.3333333 0.3425926), wk = 0.0019194 k( 505) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0019194 k( 506) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0019194 k( 507) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0019194 k( 508) = ( 0.3333333 0.3333333 0.3796296), wk = 0.0019194 k( 509) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0019194 k( 510) = ( 0.3333333 0.3333333 0.3981482), wk = 0.0019194 k( 511) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0019194 k( 512) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0019194 k( 513) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0019194 k( 514) = ( 0.3333333 0.3333333 0.4351852), wk = 0.0019194 k( 515) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0019194 k( 516) = ( 0.3333333 0.3333333 0.4537037), wk = 0.0019194 k( 517) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0019194 k( 518) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0019194 k( 519) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0019194 k( 520) = ( 0.3333333 0.3333333 0.4907407), wk = 0.0019194 k( 521) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019194 Dense grid: 22381 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 8541 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 44, 26) NL pseudopotentials 0.02 Mb ( 22, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 469) G-vector shells 0.00 Mb ( 244) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 44, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./TcB.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.2 secs Computing kpt #: 2 total cpu time spent up to now is 40.4 secs Computing kpt #: 3 total cpu time spent up to now is 40.6 secs Computing kpt #: 4 total cpu time spent up to now is 40.8 secs Computing kpt #: 5 total cpu time spent up to now is 41.0 secs Computing kpt #: 6 total cpu time spent up to now is 41.5 secs Computing kpt #: 7 total cpu time spent up to now is 41.7 secs Computing kpt #: 8 total cpu time spent up to now is 41.9 secs Computing kpt #: 9 total cpu time spent up to now is 42.1 secs Computing kpt #: 10 total cpu time spent up to now is 42.3 secs Computing kpt #: 11 total cpu time spent up to now is 42.5 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 43.2 secs Computing kpt #: 16 total cpu time spent up to now is 43.4 secs Computing kpt #: 17 total cpu time spent up to now is 43.6 secs Computing kpt #: 18 total cpu time spent up to now is 43.8 secs Computing kpt #: 19 total cpu time spent up to now is 44.0 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 44.5 secs Computing kpt 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up to now is 56.7 secs Computing kpt #: 86 total cpu time spent up to now is 56.9 secs Computing kpt #: 87 total cpu time spent up to now is 57.1 secs Computing kpt #: 88 total cpu time spent up to now is 57.2 secs Computing kpt #: 89 total cpu time spent up to now is 57.4 secs Computing kpt #: 90 total cpu time spent up to now is 57.6 secs Computing kpt #: 91 total cpu time spent up to now is 57.8 secs Computing kpt #: 92 total cpu time spent up to now is 58.0 secs Computing kpt #: 93 total cpu time spent up to now is 58.2 secs Computing kpt #: 94 total cpu time spent up to now is 58.4 secs Computing kpt #: 95 total cpu time spent up to now is 58.6 secs Computing kpt #: 96 total cpu time spent up to now is 58.8 secs Computing kpt #: 97 total cpu time spent up to now is 59.0 secs Computing kpt #: 98 total cpu time spent up to now is 59.2 secs Computing kpt #: 99 total cpu time spent up to now is 59.4 secs Computing kpt #: 100 total cpu time spent up to now is 59.6 secs Computing kpt #: 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total cpu time spent up to now is 68.5 secs Computing kpt #: 148 total cpu time spent up to now is 68.7 secs Computing kpt #: 149 total cpu time spent up to now is 68.9 secs Computing kpt #: 150 total cpu time spent up to now is 69.4 secs Computing kpt #: 151 total cpu time spent up to now is 69.5 secs Computing kpt #: 152 total cpu time spent up to now is 69.7 secs Computing kpt #: 153 total cpu time spent up to now is 69.9 secs Computing kpt #: 154 total cpu time spent up to now is 70.1 secs Computing kpt #: 155 total cpu time spent up to now is 70.3 secs Computing kpt #: 156 total cpu time spent up to now is 70.5 secs Computing kpt #: 157 total cpu time spent up to now is 70.7 secs Computing kpt #: 158 total cpu time spent up to now is 70.8 secs Computing kpt #: 159 total cpu time spent up to now is 71.0 secs Computing kpt #: 160 total cpu time spent up to now is 71.2 secs Computing kpt #: 161 total cpu time spent up to now is 71.4 secs Computing kpt #: 162 total cpu time spent up to now is 71.6 secs Computing kpt #: 163 total cpu time spent up to now is 74.4 secs Computing kpt #: 164 total cpu time spent up to now is 74.7 secs Computing kpt #: 165 total cpu time spent up to now is 75.3 secs Computing kpt #: 166 total cpu time spent up to now is 76.0 secs Computing kpt #: 167 total cpu time spent up to now is 76.4 secs Computing kpt #: 168 total cpu time spent up to now is 76.6 secs Computing kpt #: 169 total cpu time spent up to now is 76.8 secs Computing kpt #: 170 total cpu time spent up to now is 77.2 secs Computing kpt #: 171 total cpu time spent up to now is 77.8 secs Computing kpt #: 172 total cpu time spent up to now is 78.0 secs Computing kpt #: 173 total cpu time spent up to now is 78.2 secs Computing kpt #: 174 total cpu time spent up to now is 79.5 secs Computing kpt #: 175 total cpu time spent up to now is 79.8 secs Computing kpt #: 176 total cpu time spent up to now is 80.0 secs Computing kpt #: 177 total cpu time spent up to now is 80.2 secs 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total cpu time spent up to now is 85.8 secs Computing kpt #: 194 total cpu time spent up to now is 86.9 secs Computing kpt #: 195 total cpu time spent up to now is 87.1 secs Computing kpt #: 196 total cpu time spent up to now is 87.3 secs Computing kpt #: 197 total cpu time spent up to now is 87.5 secs Computing kpt #: 198 total cpu time spent up to now is 87.7 secs Computing kpt #: 199 total cpu time spent up to now is 87.9 secs Computing kpt #: 200 total cpu time spent up to now is 88.1 secs Computing kpt #: 201 total cpu time spent up to now is 88.3 secs Computing kpt #: 202 total cpu time spent up to now is 89.4 secs Computing kpt #: 203 total cpu time spent up to now is 89.6 secs Computing kpt #: 204 total cpu time spent up to now is 89.8 secs Computing kpt #: 205 total cpu time spent up to now is 90.0 secs Computing kpt #: 206 total cpu time spent up to now is 90.2 secs Computing kpt #: 207 total cpu time spent up to now is 90.4 secs Computing kpt #: 208 total cpu time spent up to now is 90.6 secs Computing kpt #: 209 total cpu time spent up to now is 90.7 secs Computing kpt #: 210 total cpu time spent up to now is 90.9 secs Computing kpt #: 211 total cpu time spent up to now is 92.0 secs Computing kpt #: 212 total cpu time spent up to now is 92.2 secs Computing kpt #: 213 total cpu time spent up to now is 92.4 secs Computing kpt #: 214 total cpu time spent up to now is 92.6 secs Computing kpt #: 215 total cpu time spent up to now is 92.8 secs Computing kpt #: 216 total cpu time spent up to now is 93.0 secs Computing kpt #: 217 total cpu time spent up to now is 93.2 secs Computing kpt #: 218 total cpu time spent up to now is 93.4 secs Computing kpt #: 219 total cpu time spent up to now is 93.5 secs Computing kpt #: 220 total cpu time spent up to now is 94.4 secs Computing kpt #: 221 total cpu time spent up to now is 94.6 secs Computing kpt #: 222 total cpu time spent up to now is 94.8 secs Computing kpt #: 223 total cpu time spent up to now is 94.9 secs Computing kpt #: 224 total cpu time spent up to now is 95.1 secs Computing kpt #: 225 total cpu time spent up to now is 95.3 secs Computing kpt #: 226 total cpu time spent up to now is 95.5 secs Computing kpt #: 227 total cpu time spent up to now is 95.7 secs Computing kpt #: 228 total cpu time spent up to now is 95.9 secs Computing kpt #: 229 total cpu time spent up to now is 96.1 secs Computing kpt #: 230 total cpu time spent up to now is 97.1 secs Computing kpt #: 231 total cpu time spent up to now is 97.2 secs Computing kpt #: 232 total cpu time spent up to now is 97.4 secs Computing kpt #: 233 total cpu time spent up to now is 97.6 secs Computing kpt #: 234 total cpu time spent up to now is 97.8 secs Computing kpt #: 235 total cpu time spent up to now is 98.0 secs Computing kpt #: 236 total cpu time spent up to now is 98.1 secs Computing kpt #: 237 total cpu time spent up to now is 98.3 secs Computing kpt #: 238 total cpu time spent up to now is 98.5 secs Computing kpt #: 239 total cpu time spent up to now is 98.7 secs Computing kpt #: 240 total cpu time spent up to now is 98.9 secs Computing kpt #: 241 total cpu time spent up to now is 99.4 secs Computing kpt #: 242 total cpu time spent up to now is 99.6 secs Computing kpt #: 243 total cpu time spent up to now is 99.8 secs Computing kpt #: 244 total cpu time spent up to now is 100.0 secs Computing kpt #: 245 total cpu time spent up to now is 100.1 secs Computing kpt #: 246 total cpu time spent up to now is 100.3 secs Computing kpt #: 247 total cpu time spent up to now is 100.5 secs Computing kpt #: 248 total cpu time spent up to now is 100.7 secs Computing kpt #: 249 total cpu time spent up to now is 100.9 secs Computing kpt #: 250 total cpu time spent up to now is 101.1 secs Computing kpt #: 251 total cpu time spent up to now is 101.3 secs Computing kpt #: 252 total cpu time spent up to now is 101.5 secs Computing kpt #: 253 total cpu time spent up to now is 102.0 secs Computing kpt #: 254 total cpu time spent up to now is 102.2 secs Computing kpt #: 255 total cpu time spent up to now is 102.4 secs Computing kpt #: 256 total cpu time spent up to now is 102.6 secs Computing kpt #: 257 total cpu time spent up to now is 102.8 secs Computing kpt #: 258 total cpu time spent up to now is 103.0 secs Computing kpt #: 259 total cpu time spent up to now is 103.1 secs Computing kpt #: 260 total cpu time spent up to now is 103.3 secs Computing kpt #: 261 total cpu time spent up to now is 103.5 secs Computing kpt #: 262 total cpu time spent up to now is 103.7 secs Computing kpt #: 263 total cpu time spent up to now is 103.9 secs Computing kpt #: 264 total cpu time spent up to now is 104.2 secs Computing kpt #: 265 total cpu time spent up to now is 104.4 secs Computing kpt #: 266 total cpu time spent up to now is 104.8 secs Computing kpt #: 267 total cpu time spent up to now is 105.0 secs Computing kpt #: 268 total cpu time spent up to now is 105.3 secs Computing kpt #: 269 total cpu time spent up to now is 105.5 secs Computing kpt #: 270 total cpu time spent up to now is 105.7 secs Computing kpt #: 271 total cpu time spent up to now is 106.0 secs Computing kpt #: 272 total cpu time spent up to now is 106.3 secs Computing kpt #: 273 total cpu time spent up to now is 106.6 secs Computing kpt #: 274 total cpu time spent up to now is 106.9 secs Computing kpt #: 275 total cpu time spent up to now is 107.4 secs Computing kpt #: 276 total cpu time spent up to now is 107.6 secs Computing kpt #: 277 total cpu time spent up to now is 107.9 secs Computing kpt #: 278 total cpu time spent up to now is 108.1 secs Computing kpt #: 279 total cpu time spent up to now is 108.5 secs Computing kpt #: 280 total cpu time spent up to now is 108.7 secs Computing kpt #: 281 total cpu time spent up to now is 109.0 secs Computing kpt #: 282 total cpu time spent up to now is 109.2 secs Computing kpt #: 283 total cpu time spent up to now is 109.5 secs Computing kpt #: 284 total cpu time spent up to now is 109.8 secs Computing kpt #: 285 total cpu time spent up to now is 110.0 secs Computing kpt #: 286 total cpu time spent up to now is 110.3 secs Computing kpt #: 287 total cpu time spent up to now is 110.6 secs Computing kpt #: 288 total cpu time spent up to now is 110.9 secs Computing kpt #: 289 total cpu time spent up to now is 111.1 secs Computing kpt #: 290 total cpu time spent up to now is 111.4 secs Computing kpt #: 291 total cpu time spent up to now is 111.7 secs Computing kpt #: 292 total cpu time spent up to now is 111.9 secs Computing kpt #: 293 total cpu time spent up to now is 112.2 secs Computing kpt #: 294 total cpu time spent up to now is 112.6 secs Computing kpt #: 295 total cpu time spent up to now is 112.9 secs Computing kpt #: 296 total cpu time spent up to now is 113.1 secs Computing kpt #: 297 total cpu time spent up to now is 113.4 secs Computing kpt #: 298 total cpu time spent up to now is 113.8 secs Computing kpt #: 299 total cpu time spent up to now is 114.1 secs Computing kpt #: 300 total cpu time spent up to now is 114.4 secs Computing kpt #: 301 total cpu time spent up to now is 114.6 secs Computing kpt #: 302 total cpu time spent up to now is 114.9 secs Computing kpt #: 303 total cpu time spent up to now is 115.2 secs Computing kpt #: 304 total cpu time spent up to now is 115.4 secs Computing kpt #: 305 total cpu time spent up to now is 115.6 secs Computing kpt #: 306 total cpu time spent up to now is 115.9 secs Computing kpt #: 307 total cpu time spent up to now is 116.1 secs Computing kpt #: 308 total cpu time spent up to now is 116.4 secs Computing kpt #: 309 total cpu time spent up to now is 116.6 secs Computing kpt #: 310 total cpu time spent up to now is 116.9 secs Computing kpt #: 311 total cpu time spent up to now is 117.1 secs Computing kpt #: 312 total cpu time spent up to now is 117.3 secs Computing kpt #: 313 total cpu time spent up to now is 117.6 secs Computing kpt #: 314 total cpu time spent up to now is 117.8 secs Computing kpt #: 315 total cpu time spent up to now is 118.0 secs Computing kpt #: 316 total cpu time spent up to now is 118.3 secs Computing kpt #: 317 total cpu time spent up to now is 118.5 secs Computing kpt #: 318 total cpu time spent up to now is 118.7 secs Computing kpt #: 319 total cpu time spent up to now is 119.0 secs Computing kpt #: 320 total cpu time spent up to now is 119.2 secs Computing kpt #: 321 total cpu time spent up to now is 119.4 secs Computing kpt #: 322 total cpu time spent up to now is 119.6 secs Computing kpt #: 323 total cpu time spent up to now is 119.9 secs Computing kpt #: 324 total cpu time spent up to now is 120.1 secs Computing kpt #: 325 total cpu time spent up to now is 120.3 secs Computing kpt #: 326 total cpu time spent up to now is 120.6 secs Computing kpt #: 327 total cpu time spent up to now is 120.8 secs Computing kpt #: 328 total cpu time spent up to now is 121.0 secs Computing kpt #: 329 total cpu time spent up to now is 121.3 secs Computing kpt #: 330 total cpu time spent up to now is 121.5 secs Computing kpt #: 331 total cpu time spent up to now is 121.8 secs Computing kpt #: 332 total cpu time spent up to now is 122.0 secs Computing kpt #: 333 total cpu time spent up to now is 122.2 secs Computing kpt #: 334 total cpu time spent up to now is 122.4 secs Computing kpt #: 335 total cpu time spent up to now is 122.7 secs Computing kpt #: 336 total cpu time spent up to now is 122.9 secs Computing kpt #: 337 total cpu time spent up to now is 123.1 secs Computing kpt #: 338 total cpu time spent up to now is 123.4 secs Computing kpt #: 339 total cpu time spent up to now is 123.7 secs Computing kpt #: 340 total cpu time spent up to now is 124.0 secs Computing kpt #: 341 total cpu time spent up to now is 124.3 secs Computing kpt #: 342 total cpu time spent up to now is 124.5 secs Computing kpt #: 343 total cpu time spent up to now is 124.9 secs Computing kpt #: 344 total cpu time spent up to now is 125.1 secs Computing kpt #: 345 total cpu time spent up to now is 125.4 secs Computing kpt #: 346 total cpu time spent up to now is 125.8 secs Computing kpt #: 347 total cpu time spent up to now is 126.0 secs Computing kpt #: 348 total cpu time spent up to now is 126.3 secs Computing kpt #: 349 total cpu time spent up to now is 126.6 secs Computing kpt #: 350 total cpu time spent up to now is 126.8 secs Computing kpt #: 351 total cpu time spent up to now is 127.1 secs Computing kpt #: 352 total cpu time spent up to now is 127.5 secs Computing kpt #: 353 total cpu time spent up to now is 127.7 secs Computing kpt #: 354 total cpu time spent up to now is 127.9 secs Computing kpt #: 355 total cpu time spent up to now is 128.2 secs Computing kpt #: 356 total cpu time spent up to now is 128.4 secs Computing kpt #: 357 total cpu time spent up to now is 128.6 secs Computing kpt #: 358 total cpu time spent up to now is 128.8 secs Computing kpt #: 359 total cpu time spent up to now is 129.0 secs Computing kpt #: 360 total cpu time spent up to now is 129.2 secs Computing kpt #: 361 total cpu time spent up to now is 129.5 secs Computing kpt #: 362 total cpu time spent up to now is 129.7 secs Computing kpt #: 363 total cpu time spent up to now is 129.9 secs Computing kpt #: 364 total cpu time spent up to now is 130.1 secs Computing kpt #: 365 total cpu time spent up to now is 130.3 secs Computing kpt #: 366 total cpu time spent up to now is 130.5 secs Computing kpt #: 367 total cpu time spent up to now is 130.7 secs Computing kpt #: 368 total cpu time spent up to now is 130.9 secs Computing kpt #: 369 total cpu time spent up to now is 131.2 secs Computing kpt #: 370 total cpu time spent up to now is 131.4 secs Computing kpt #: 371 total cpu time spent up to now is 131.6 secs Computing kpt #: 372 total cpu time spent up to now is 131.8 secs Computing kpt #: 373 total cpu time spent up to now is 132.0 secs Computing kpt #: 374 total cpu time spent up to now is 132.2 secs Computing kpt #: 375 total cpu time spent up to now is 132.4 secs Computing kpt #: 376 total cpu time spent up to now is 132.6 secs Computing kpt #: 377 total cpu time spent up to now is 132.8 secs Computing kpt #: 378 total cpu time spent up to now is 133.0 secs Computing kpt #: 379 total cpu time spent up to now is 133.2 secs Computing kpt #: 380 total cpu time spent up to now is 133.4 secs Computing kpt #: 381 total cpu time spent up to now is 133.6 secs Computing kpt #: 382 total cpu time spent up to now is 133.8 secs Computing kpt #: 383 total cpu time spent up to now is 134.0 secs Computing kpt #: 384 total cpu time spent up to now is 134.1 secs Computing kpt #: 385 total cpu time spent up to now is 134.3 secs Computing kpt #: 386 total cpu time spent up to now is 134.5 secs Computing kpt #: 387 total cpu time spent up to now is 134.7 secs Computing kpt #: 388 total cpu time spent up to now is 135.0 secs Computing kpt #: 389 total cpu time spent up to now is 135.2 secs Computing kpt #: 390 total cpu time spent up to now is 135.4 secs Computing kpt #: 391 total cpu time spent up to now is 135.6 secs Computing kpt #: 392 total cpu time spent up to now is 135.8 secs Computing kpt #: 393 total cpu time spent up to now is 136.0 secs Computing kpt #: 394 total cpu time spent up to now is 136.2 secs Computing kpt #: 395 total cpu time spent up to now is 136.6 secs Computing kpt #: 396 total cpu time spent up to now is 136.9 secs Computing kpt #: 397 total cpu time spent up to now is 137.1 secs Computing kpt #: 398 total cpu time spent up to now is 137.3 secs Computing kpt #: 399 total cpu time spent up to now is 137.5 secs Computing kpt #: 400 total cpu time spent up to now is 137.7 secs Computing kpt #: 401 total cpu time spent up to now is 137.9 secs Computing kpt #: 402 total cpu time spent up to now is 138.2 secs Computing kpt #: 403 total cpu time spent up to now is 138.4 secs Computing kpt #: 404 total cpu time spent up to now is 138.6 secs Computing kpt #: 405 total cpu time spent up to now is 138.9 secs Computing kpt #: 406 total cpu time spent up to now is 139.2 secs Computing kpt #: 407 total cpu time spent up to now is 139.6 secs Computing kpt #: 408 total cpu time spent up to now is 139.9 secs Computing kpt #: 409 total cpu time spent up to now is 140.1 secs Computing kpt #: 410 total cpu time spent up to now is 140.4 secs Computing kpt #: 411 total cpu time spent up to now is 140.6 secs Computing kpt #: 412 total cpu time spent up to now is 141.0 secs Computing kpt #: 413 total cpu time spent up to now is 141.2 secs Computing kpt #: 414 total cpu time spent up to now is 141.5 secs Computing kpt #: 415 total cpu time spent up to now is 141.7 secs Computing kpt #: 416 total cpu time spent up to now is 141.9 secs Computing kpt #: 417 total cpu time spent up to now is 142.2 secs Computing kpt #: 418 total cpu time spent up to now is 142.4 secs Computing kpt #: 419 total cpu time spent up to now is 142.6 secs Computing kpt #: 420 total cpu time spent up to now is 142.9 secs Computing kpt #: 421 total cpu time spent up to now is 143.1 secs Computing kpt #: 422 total cpu time spent up to now is 143.3 secs Computing kpt #: 423 total cpu time spent up to now is 143.6 secs Computing kpt #: 424 total cpu time spent up to now is 143.8 secs Computing kpt #: 425 total cpu time spent up to now is 144.0 secs Computing kpt #: 426 total cpu time spent up to now is 144.2 secs Computing kpt #: 427 total cpu time spent up to now is 144.5 secs Computing kpt #: 428 total cpu time spent up to now is 144.7 secs Computing kpt #: 429 total cpu time spent up to now is 144.9 secs Computing kpt #: 430 total cpu time spent up to now is 145.1 secs Computing kpt #: 431 total cpu time spent up to now is 145.4 secs Computing kpt #: 432 total cpu time spent up to now is 145.6 secs Computing kpt #: 433 total cpu time spent up to now is 145.8 secs Computing kpt #: 434 total cpu time spent up to now is 146.0 secs Computing kpt #: 435 total cpu time spent up to now is 146.3 secs Computing kpt #: 436 total cpu time spent up to now is 146.5 secs Computing kpt #: 437 total cpu time spent up to now is 146.7 secs Computing kpt #: 438 total cpu time spent up to now is 146.9 secs Computing kpt #: 439 total cpu time spent up to now is 147.1 secs Computing kpt #: 440 total cpu time spent up to now is 147.3 secs Computing kpt #: 441 total cpu time spent up to now is 147.5 secs Computing kpt #: 442 total cpu time spent up to now is 147.7 secs Computing kpt #: 443 total cpu time spent up to now is 148.0 secs Computing kpt #: 444 total cpu time spent up to now is 148.2 secs Computing kpt #: 445 total cpu time spent up to now is 148.5 secs Computing kpt #: 446 total cpu time spent up to now is 148.8 secs Computing kpt #: 447 total cpu time spent up to now is 149.0 secs Computing kpt #: 448 total cpu time spent up to now is 149.3 secs Computing kpt #: 449 total cpu time spent up to now is 149.6 secs Computing kpt #: 450 total cpu time spent up to now is 150.1 secs Computing kpt #: 451 total cpu time spent up to now is 150.3 secs Computing kpt #: 452 total cpu time spent up to now is 150.6 secs Computing kpt #: 453 total cpu time spent up to now is 150.8 secs Computing kpt #: 454 total cpu time spent up to now is 151.0 secs Computing kpt #: 455 total cpu time spent up to now is 151.3 secs Computing kpt #: 456 total cpu time spent up to now is 151.5 secs Computing kpt #: 457 total cpu time spent up to now is 151.7 secs Computing kpt #: 458 total cpu time spent up to now is 151.9 secs Computing kpt #: 459 total cpu time spent up to now is 152.2 secs Computing kpt #: 460 total cpu time spent up to now is 152.5 secs Computing kpt #: 461 total cpu time spent up to now is 152.9 secs Computing kpt #: 462 total cpu time spent up to now is 153.2 secs Computing kpt #: 463 total cpu time spent up to now is 153.4 secs Computing kpt #: 464 total cpu time spent up to now is 153.6 secs Computing kpt #: 465 total cpu time spent up to now is 153.8 secs Computing kpt #: 466 total cpu time spent up to now is 154.0 secs Computing kpt #: 467 total cpu time spent up to now is 154.2 secs Computing kpt #: 468 total cpu time spent up to now is 154.4 secs Computing kpt #: 469 total cpu time spent up to now is 154.6 secs Computing kpt #: 470 total cpu time spent up to now is 154.8 secs Computing kpt #: 471 total cpu time spent up to now is 155.0 secs Computing kpt #: 472 total cpu time spent up to now is 155.2 secs Computing kpt #: 473 total cpu time spent up to now is 155.4 secs Computing kpt #: 474 total cpu time spent up to now is 155.6 secs Computing kpt #: 475 total cpu time spent up to now is 155.8 secs Computing kpt #: 476 total cpu time spent up to now is 155.9 secs Computing kpt #: 477 total cpu time spent up to now is 156.1 secs Computing kpt #: 478 total cpu time spent up to now is 156.3 secs Computing kpt #: 479 total cpu time spent up to now is 156.5 secs Computing kpt #: 480 total cpu time spent up to now is 156.7 secs Computing kpt #: 481 total cpu time spent up to now is 156.9 secs Computing kpt #: 482 total cpu time spent up to now is 157.1 secs Computing kpt #: 483 total cpu time spent up to now is 157.3 secs Computing kpt #: 484 total cpu time spent up to now is 157.5 secs Computing kpt #: 485 total cpu time spent up to now is 157.7 secs Computing kpt #: 486 total cpu time spent up to now is 157.9 secs Computing kpt #: 487 total cpu time spent up to now is 158.1 secs Computing kpt #: 488 total cpu time spent up to now is 158.3 secs Computing kpt #: 489 total cpu time spent up to now is 158.5 secs Computing kpt #: 490 total cpu time spent up to now is 158.7 secs Computing kpt #: 491 total cpu time spent up to now is 158.9 secs Computing kpt #: 492 total cpu time spent up to now is 159.1 secs Computing kpt #: 493 total cpu time spent up to now is 159.3 secs Computing kpt #: 494 total cpu time spent up to now is 159.5 secs Computing kpt #: 495 total cpu time spent up to now is 159.7 secs Computing kpt #: 496 total cpu time spent up to now is 159.9 secs Computing kpt #: 497 total cpu time spent up to now is 160.1 secs Computing kpt #: 498 total cpu time spent up to now is 160.4 secs Computing kpt #: 499 total cpu time spent up to now is 160.6 secs Computing kpt #: 500 total cpu time spent up to now is 160.8 secs Computing kpt #: 501 total cpu time spent up to now is 161.0 secs Computing kpt #: 502 total cpu time spent up to now is 161.2 secs Computing kpt #: 503 total cpu time spent up to now is 161.5 secs Computing kpt #: 504 total cpu time spent up to now is 161.7 secs Computing kpt #: 505 total cpu time spent up to now is 161.9 secs Computing kpt #: 506 total cpu time spent up to now is 162.2 secs Computing kpt #: 507 total cpu time spent up to now is 162.4 secs Computing kpt #: 508 total cpu time spent up to now is 162.7 secs Computing kpt #: 509 total cpu time spent up to now is 163.0 secs Computing kpt #: 510 total cpu time spent up to now is 163.3 secs Computing kpt #: 511 total cpu time spent up to now is 163.5 secs Computing kpt #: 512 total cpu time spent up to now is 163.8 secs Computing kpt #: 513 total cpu time spent up to now is 164.1 secs Computing kpt #: 514 total cpu time spent up to now is 164.4 secs Computing kpt #: 515 total cpu time spent up to now is 164.6 secs Computing kpt #: 516 total cpu time spent up to now is 164.9 secs Computing kpt #: 517 total cpu time spent up to now is 165.2 secs Computing kpt #: 518 total cpu time spent up to now is 165.5 secs Computing kpt #: 519 total cpu time spent up to now is 165.7 secs Computing kpt #: 520 total cpu time spent up to now is 165.9 secs Computing kpt #: 521 total cpu time spent up to now is 166.2 secs ethr = 5.56E-11, avg # of iterations = 12.3 total cpu time spent up to now is 166.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1081 PWs) bands (ev): -47.9470 -47.9470 -21.7818 -21.7818 -18.8429 -18.8429 -18.8021 -18.8021 7.9787 7.9787 14.6491 14.6491 16.0814 16.0814 16.2480 16.2480 19.9573 19.9573 20.0936 20.0936 21.2414 21.2414 26.4569 26.4569 26.4641 26.4641 k = 0.0078 0.0045-0.0000 ( 1081 PWs) bands (ev): -47.9469 -47.9469 -21.7819 -21.7819 -18.8429 -18.8429 -18.8024 -18.8024 7.9802 7.9802 14.6499 14.6499 16.0813 16.0813 16.2479 16.2479 19.9495 19.9495 20.0858 20.0858 21.2577 21.2577 26.4527 26.4527 26.4619 26.4619 k = 0.0156 0.0090-0.0000 ( 1081 PWs) bands (ev): -47.9468 -47.9468 -21.7823 -21.7823 -18.8431 -18.8431 -18.8032 -18.8032 7.9850 7.9850 14.6523 14.6523 16.0808 16.0808 16.2479 16.2479 19.9230 19.9230 20.0677 20.0677 21.3043 21.3043 26.4407 26.4407 26.4548 26.4548 k = 0.0234 0.0135-0.0000 ( 1081 PWs) bands (ev): -47.9465 -47.9465 -21.7829 -21.7829 -18.8433 -18.8433 -18.8045 -18.8045 7.9930 7.9930 14.6563 14.6563 16.0794 16.0794 16.2485 16.2485 19.8726 19.8726 20.0498 20.0498 21.3758 21.3758 26.4215 26.4215 26.4424 26.4424 k = 0.0312 0.0180-0.0000 ( 1077 PWs) bands (ev): -47.9462 -47.9462 -21.7837 -21.7837 -18.8437 -18.8437 -18.8064 -18.8064 8.0041 8.0041 14.6618 14.6618 16.0761 16.0761 16.2508 16.2508 19.7999 19.7999 20.0368 20.0368 21.4661 21.4661 26.3950 26.3950 26.4249 26.4249 k = 0.0391 0.0226-0.0000 ( 1077 PWs) bands (ev): -47.9457 -47.9457 -21.7849 -21.7849 -18.8443 -18.8443 -18.8087 -18.8087 8.0184 8.0184 14.6689 14.6689 16.0699 16.0699 16.2559 16.2559 19.7113 19.7113 20.0272 20.0272 21.5700 21.5700 26.3615 26.3615 26.4022 26.4022 k = 0.0469 0.0271-0.0000 ( 1073 PWs) bands (ev): -47.9452 -47.9452 -21.7862 -21.7862 -18.8450 -18.8450 -18.8114 -18.8114 8.0358 8.0358 14.6773 14.6773 16.0601 16.0601 16.2646 16.2646 19.6127 19.6127 20.0192 20.0192 21.6837 21.6837 26.3210 26.3210 26.3747 26.3747 k = 0.0547 0.0316-0.0000 ( 1073 PWs) bands (ev): -47.9445 -47.9445 -21.7878 -21.7878 -18.8461 -18.8461 -18.8146 -18.8146 8.0563 8.0563 14.6870 14.6870 16.0462 16.0462 16.2777 16.2777 19.5076 19.5076 20.0117 20.0117 21.8045 21.8045 26.2738 26.2738 26.3425 26.3425 k = 0.0625 0.0361-0.0000 ( 1077 PWs) bands (ev): -47.9438 -47.9438 -21.7897 -21.7897 -18.8475 -18.8475 -18.8179 -18.8179 8.0799 8.0799 14.6980 14.6980 16.0281 16.0281 16.2952 16.2952 19.3984 19.3984 20.0042 20.0042 21.9306 21.9306 26.2201 26.2201 26.3057 26.3057 k = 0.0703 0.0406-0.0000 ( 1077 PWs) bands (ev): -47.9429 -47.9429 -21.7918 -21.7918 -18.8494 -18.8494 -18.8214 -18.8214 8.1065 8.1065 14.7100 14.7100 16.0064 16.0064 16.3170 16.3170 19.2868 19.2868 19.9963 19.9963 22.0606 22.0606 26.1601 26.1601 26.2646 26.2646 k = 0.0781 0.0451-0.0000 ( 1085 PWs) bands (ev): -47.9420 -47.9420 -21.7942 -21.7942 -18.8520 -18.8520 -18.8248 -18.8248 8.1362 8.1362 14.7228 14.7228 15.9814 15.9814 16.3430 16.3430 19.1739 19.1739 19.9880 19.9880 22.1934 22.1934 26.0941 26.0941 26.2194 26.2194 k = 0.0859 0.0496-0.0000 ( 1081 PWs) bands (ev): -47.9410 -47.9410 -21.7968 -21.7968 -18.8553 -18.8553 -18.8278 -18.8278 8.1688 8.1688 14.7364 14.7364 15.9538 15.9538 16.3729 16.3729 19.0604 19.0604 19.9792 19.9792 22.3286 22.3286 26.0225 26.0225 26.1704 26.1704 k = 0.0938 0.0541-0.0000 ( 1081 PWs) bands (ev): -47.9399 -47.9399 -21.7996 -21.7996 -18.8597 -18.8597 -18.8304 -18.8304 8.2044 8.2044 14.7503 14.7503 15.9240 15.9240 16.4064 16.4064 18.9468 18.9468 19.9698 19.9698 22.4654 22.4654 25.9456 25.9456 26.1177 26.1177 k = 0.1016 0.0586-0.0000 ( 1085 PWs) bands (ev): -47.9387 -47.9387 -21.8026 -21.8026 -18.8651 -18.8651 -18.8326 -18.8326 8.2428 8.2428 14.7644 14.7644 15.8927 15.8927 16.4434 16.4434 18.8336 18.8336 19.9598 19.9598 22.6035 22.6035 25.8637 25.8637 26.0616 26.0616 k = 0.1094 0.0631-0.0000 ( 1081 PWs) bands (ev): -47.9374 -47.9374 -21.8058 -21.8058 -18.8713 -18.8713 -18.8343 -18.8343 8.2841 8.2841 14.7782 14.7782 15.8606 15.8606 16.4838 16.4838 18.7211 18.7211 19.9493 19.9493 22.7424 22.7424 25.7774 25.7774 26.0023 26.0023 k = 0.1172 0.0677-0.0000 ( 1081 PWs) bands (ev): -47.9360 -47.9360 -21.8093 -21.8093 -18.8783 -18.8783 -18.8357 -18.8357 8.3281 8.3281 14.7913 14.7913 15.8282 15.8282 16.5274 16.5274 18.6094 18.6094 19.9381 19.9381 22.8819 22.8819 25.6869 25.6869 25.9400 25.9400 k = 0.1250 0.0722-0.0000 ( 1081 PWs) bands (ev): -47.9346 -47.9346 -21.8129 -21.8129 -18.8860 -18.8860 -18.8369 -18.8369 8.3749 8.3749 14.8032 14.8032 15.7962 15.7962 16.5740 16.5740 18.4989 18.4989 19.9265 19.9265 23.0216 23.0216 25.5926 25.5926 25.8749 25.8749 k = 0.1328 0.0767-0.0000 ( 1079 PWs) bands (ev): -47.9331 -47.9331 -21.8168 -21.8168 -18.8943 -18.8943 -18.8379 -18.8379 8.4243 8.4243 14.8133 14.8133 15.7655 15.7655 16.6237 16.6237 18.3897 18.3897 19.9143 19.9143 23.1613 23.1613 25.4950 25.4950 25.8074 25.8074 k = 0.1406 0.0812-0.0000 ( 1079 PWs) bands (ev): -47.9315 -47.9315 -21.8208 -21.8208 -18.9032 -18.9032 -18.8388 -18.8388 8.4763 8.4763 14.8209 14.8209 15.7366 15.7366 16.6764 16.6764 18.2819 18.2819 19.9016 19.9016 23.3009 23.3009 25.3945 25.3945 25.7375 25.7375 k = 0.1484 0.0857-0.0000 ( 1079 PWs) bands (ev): -47.9299 -47.9299 -21.8250 -21.8250 -18.9124 -18.9124 -18.8395 -18.8395 8.5307 8.5307 14.8253 14.8253 15.7106 15.7106 16.7319 16.7319 18.1756 18.1756 19.8885 19.8885 23.4399 23.4399 25.2915 25.2915 25.6654 25.6654 k = 0.1562 0.0902-0.0000 ( 1083 PWs) bands (ev): -47.9282 -47.9282 -21.8295 -21.8295 -18.9221 -18.9221 -18.8403 -18.8403 8.5876 8.5876 14.8258 14.8258 15.6882 15.6882 16.7900 16.7900 18.0709 18.0709 19.8750 19.8750 23.5783 23.5783 25.1865 25.1865 25.5915 25.5915 k = 0.1641 0.0947-0.0000 ( 1079 PWs) bands (ev): -47.9264 -47.9264 -21.8340 -21.8340 -18.9321 -18.9321 -18.8409 -18.8409 8.6469 8.6469 14.8218 14.8218 15.6701 15.6701 16.8510 16.8510 17.9679 17.9679 19.8610 19.8610 23.7159 23.7159 25.0800 25.0800 25.5158 25.5158 k = 0.1719 0.0992-0.0000 ( 1083 PWs) bands (ev): -47.9246 -47.9246 -21.8388 -21.8388 -18.9425 -18.9425 -18.8415 -18.8415 8.7085 8.7085 14.8127 14.8127 15.6569 15.6569 16.9146 16.9146 17.8667 17.8667 19.8467 19.8467 23.8523 23.8523 24.9722 24.9722 25.4385 25.4385 k = 0.1797 0.1037-0.0000 ( 1083 PWs) bands (ev): -47.9227 -47.9227 -21.8437 -21.8437 -18.9531 -18.9531 -18.8421 -18.8421 8.7722 8.7722 14.7983 14.7983 15.6489 15.6489 16.9807 16.9807 17.7675 17.7675 19.8321 19.8321 23.9875 23.9875 24.8638 24.8638 25.3598 25.3598 k = 0.1875 0.1083-0.0000 ( 1083 PWs) bands (ev): -47.9208 -47.9208 -21.8487 -21.8487 -18.9639 -18.9639 -18.8427 -18.8427 8.8380 8.8380 14.7785 14.7785 15.6462 15.6462 17.0491 17.0491 17.6703 17.6703 19.8173 19.8173 24.1212 24.1212 24.7551 24.7551 25.2799 25.2799 k = 0.1953 0.1128-0.0000 ( 1079 PWs) bands (ev): -47.9189 -47.9189 -21.8538 -21.8538 -18.9749 -18.9749 -18.8432 -18.8432 8.9058 8.9058 14.7537 14.7537 15.6485 15.6485 17.1196 17.1196 17.5755 17.5755 19.8021 19.8021 24.2531 24.2531 24.6467 24.6467 25.1988 25.1988 k = 0.2031 0.1173-0.0000 ( 1079 PWs) bands (ev): -47.9169 -47.9169 -21.8591 -21.8591 -18.9861 -18.9861 -18.8437 -18.8437 8.9755 8.9755 14.7241 14.7241 15.6553 15.6553 17.1916 17.1916 17.4835 17.4835 19.7868 19.7868 24.3830 24.3830 24.5390 24.5390 25.1167 25.1167 k = 0.2109 0.1218-0.0000 ( 1079 PWs) bands (ev): -47.9149 -47.9149 -21.8645 -21.8645 -18.9974 -18.9974 -18.8442 -18.8442 9.0470 9.0470 14.6906 14.6906 15.6660 15.6660 17.2613 17.2613 17.3981 17.3981 19.7713 19.7713 24.4310 24.4310 24.5120 24.5120 25.0339 25.0339 k = 0.2188 0.1263-0.0000 ( 1083 PWs) bands (ev): -47.9128 -47.9128 -21.8700 -21.8700 -19.0089 -19.0089 -18.8448 -18.8448 9.1201 9.1201 14.6536 14.6536 15.6798 15.6798 17.2780 17.2780 17.3700 17.3700 19.7556 19.7556 24.3261 24.3261 24.6367 24.6367 24.9508 24.9508 k = 0.2266 0.1308-0.0000 ( 1083 PWs) bands (ev): -47.9108 -47.9108 -21.8755 -21.8755 -19.0204 -19.0204 -18.8452 -18.8452 9.1949 9.1949 14.6139 14.6139 15.6961 15.6961 17.2037 17.2037 17.4372 17.4372 19.7399 19.7399 24.2227 24.2227 24.7567 24.7567 24.8697 24.8697 k = 0.2344 0.1353-0.0000 ( 1083 PWs) bands (ev): -47.9087 -47.9087 -21.8812 -21.8812 -19.0320 -19.0320 -18.8457 -18.8457 9.2711 9.2711 14.5721 14.5721 15.7142 15.7142 17.1209 17.1209 17.5170 17.5170 19.7241 19.7241 24.1215 24.1215 24.7738 24.7738 24.8883 24.8883 k = 0.2422 0.1398-0.0000 ( 1075 PWs) bands (ev): -47.9066 -47.9066 -21.8868 -21.8868 -19.0435 -19.0435 -18.8461 -18.8461 9.3486 9.3486 14.5289 14.5289 15.7333 15.7333 17.0389 17.0389 17.6004 17.6004 19.7084 19.7084 24.0231 24.0231 24.6915 24.6915 25.0030 25.0030 k = 0.2500 0.1443-0.0000 ( 1075 PWs) bands (ev): -47.9045 -47.9045 -21.8925 -21.8925 -19.0550 -19.0550 -18.8465 -18.8465 9.4273 9.4273 14.4846 14.4846 15.7528 15.7528 16.9585 16.9585 17.6861 17.6861 19.6926 19.6926 23.9277 23.9277 24.6060 24.6060 25.1175 25.1175 k = 0.2578 0.1488-0.0000 ( 1071 PWs) bands (ev): -47.9024 -47.9024 -21.8982 -21.8982 -19.0665 -19.0665 -18.8469 -18.8469 9.5070 9.5070 14.4397 14.4397 15.7722 15.7722 16.8802 16.8802 17.7738 17.7738 19.6770 19.6770 23.8359 23.8359 24.5198 24.5198 25.2292 25.2292 k = 0.2656 0.1534-0.0000 ( 1069 PWs) bands (ev): -47.9003 -47.9003 -21.9040 -21.9040 -19.0779 -19.0779 -18.8472 -18.8472 9.5877 9.5877 14.3947 14.3947 15.7909 15.7909 16.8040 16.8040 17.8633 17.8633 19.6614 19.6614 23.7479 23.7479 24.4331 24.4331 25.3378 25.3378 k = 0.2734 0.1579-0.0000 ( 1062 PWs) bands (ev): -47.8982 -47.8982 -21.9097 -21.9097 -19.0891 -19.0891 -18.8476 -18.8476 9.6691 9.6691 14.3499 14.3499 15.8084 15.8084 16.7301 16.7301 17.9544 17.9544 19.6460 19.6460 23.6641 23.6641 24.3461 24.3461 25.4430 25.4430 k = 0.2812 0.1624-0.0000 ( 1066 PWs) bands (ev): -47.8962 -47.8962 -21.9155 -21.9155 -19.1003 -19.1003 -18.8480 -18.8480 9.7511 9.7511 14.3055 14.3055 15.8244 15.8244 16.6584 16.6584 18.0469 18.0469 19.6307 19.6307 23.5849 23.5849 24.2588 24.2588 25.5446 25.5446 k = 0.2891 0.1669-0.0000 ( 1066 PWs) bands (ev): -47.8941 -47.8941 -21.9212 -21.9212 -19.1114 -19.1114 -18.8483 -18.8483 9.8336 9.8336 14.2619 14.2619 15.8384 15.8384 16.5891 16.5891 18.1407 18.1407 19.6157 19.6157 23.5105 23.5105 24.1713 24.1713 25.6426 25.6426 k = 0.2969 0.1714-0.0000 ( 1066 PWs) bands (ev): -47.8921 -47.8921 -21.9269 -21.9269 -19.1222 -19.1222 -18.8486 -18.8486 9.9163 9.9163 14.2194 14.2194 15.8502 15.8502 16.5221 16.5221 18.2358 18.2358 19.6010 19.6010 23.4412 23.4412 24.0838 24.0838 25.7368 25.7368 k = 0.3047 0.1759-0.0000 ( 1066 PWs) bands (ev): -47.8901 -47.8901 -21.9326 -21.9326 -19.1329 -19.1329 -18.8489 -18.8489 9.9991 9.9991 14.1780 14.1780 15.8592 15.8592 16.4575 16.4575 18.3320 18.3320 19.5865 19.5865 23.3772 23.3772 23.9962 23.9962 25.8270 25.8270 k = 0.3125 0.1804-0.0000 ( 1062 PWs) bands (ev): -47.8881 -47.8881 -21.9381 -21.9381 -19.1432 -19.1432 -18.8492 -18.8492 10.0817 10.0817 14.1381 14.1381 15.8655 15.8655 16.3954 16.3954 18.4291 18.4291 19.5724 19.5724 23.3188 23.3188 23.9086 23.9086 25.9134 25.9134 k = 0.3203 0.1849-0.0000 ( 1054 PWs) bands (ev): -47.8862 -47.8862 -21.9435 -21.9435 -19.1533 -19.1533 -18.8494 -18.8494 10.1641 10.1641 14.0998 14.0998 15.8686 15.8686 16.3358 16.3358 18.5270 18.5270 19.5587 19.5587 23.2659 23.2659 23.8211 23.8211 25.9957 25.9957 k = 0.3281 0.1894-0.0000 ( 1054 PWs) bands (ev): -47.8843 -47.8843 -21.9489 -21.9489 -19.1632 -19.1632 -18.8497 -18.8497 10.2458 10.2458 14.0632 14.0632 15.8685 15.8685 16.2785 16.2785 18.6255 18.6255 19.5454 19.5454 23.2187 23.2187 23.7337 23.7337 26.0739 26.0739 k = 0.3359 0.1940-0.0000 ( 1056 PWs) bands (ev): -47.8825 -47.8825 -21.9542 -21.9542 -19.1728 -19.1728 -18.8499 -18.8499 10.3268 10.3268 14.0286 14.0286 15.8649 15.8649 16.2237 16.2237 18.7243 18.7243 19.5326 19.5326 23.1772 23.1772 23.6467 23.6467 26.1480 26.1480 k = 0.3438 0.1985-0.0000 ( 1056 PWs) bands (ev): -47.8807 -47.8807 -21.9593 -21.9593 -19.1821 -19.1821 -18.8502 -18.8502 10.4068 10.4068 13.9960 13.9960 15.8580 15.8580 16.1715 16.1715 18.8232 18.8232 19.5204 19.5204 23.1412 23.1412 23.5600 23.5600 26.2180 26.2180 k = 0.3516 0.2030-0.0000 ( 1056 PWs) bands (ev): -47.8790 -47.8790 -21.9643 -21.9643 -19.1910 -19.1910 -18.8504 -18.8504 10.4855 10.4855 13.9657 13.9657 15.8477 15.8477 16.1218 16.1218 18.9221 18.9221 19.5089 19.5089 23.1105 23.1105 23.4740 23.4740 26.2839 26.2839 k = 0.3594 0.2075-0.0000 ( 1060 PWs) bands (ev): -47.8773 -47.8773 -21.9692 -21.9692 -19.1996 -19.1996 -18.8506 -18.8506 10.5626 10.5626 13.9376 13.9376 15.8340 15.8340 16.0745 16.0745 19.0204 19.0204 19.4982 19.4982 23.0848 23.0848 23.3889 23.3889 26.3457 26.3457 k = 0.3672 0.2120-0.0000 ( 1060 PWs) bands (ev): -47.8757 -47.8757 -21.9738 -21.9738 -19.2079 -19.2079 -18.8508 -18.8508 10.6379 10.6379 13.9119 13.9119 15.8172 15.8172 16.0298 16.0298 19.1177 19.1177 19.4889 19.4889 23.0632 23.0632 23.3054 23.3054 26.4035 26.4035 k = 0.3750 0.2165-0.0000 ( 1060 PWs) bands (ev): -47.8742 -47.8742 -21.9783 -21.9783 -19.2157 -19.2157 -18.8510 -18.8510 10.7111 10.7111 13.8886 13.8886 15.7974 15.7974 15.9876 15.9876 19.2126 19.2126 19.4818 19.4818 23.0441 23.0441 23.2251 23.2251 26.4574 26.4574 k = 0.3828 0.2210-0.0000 ( 1060 PWs) bands (ev): -47.8728 -47.8728 -21.9826 -21.9826 -19.2231 -19.2231 -18.8511 -18.8511 10.7819 10.7819 13.8679 13.8679 15.7751 15.7751 15.9478 15.9478 19.3022 19.3022 19.4797 19.4797 23.0229 23.0229 23.1523 23.1523 26.5073 26.5073 k = 0.3906 0.2255-0.0000 ( 1062 PWs) bands (ev): -47.8714 -47.8714 -21.9866 -21.9866 -19.2302 -19.2302 -18.8513 -18.8513 10.8499 10.8499 13.8496 13.8496 15.7506 15.7506 15.9104 15.9104 19.3749 19.3749 19.4940 19.4940 22.9876 22.9876 23.0987 23.0987 26.5534 26.5534 k = 0.3984 0.2300-0.0000 ( 1064 PWs) bands (ev): -47.8701 -47.8701 -21.9905 -21.9905 -19.2368 -19.2368 -18.8514 -18.8514 10.9149 10.9149 13.8339 13.8339 15.7242 15.7242 15.8753 15.8753 19.4081 19.4081 19.5469 19.5469 22.9288 22.9288 23.0737 23.0737 26.5958 26.5958 k = 0.4062 0.2345-0.0000 ( 1060 PWs) bands (ev): -47.8689 -47.8689 -21.9940 -21.9940 -19.2429 -19.2429 -18.8515 -18.8515 10.9766 10.9766 13.8208 13.8208 15.6965 15.6965 15.8427 15.8427 19.4134 19.4134 19.6263 19.6263 22.8572 22.8572 23.0663 23.0663 26.6345 26.6345 k = 0.4141 0.2391-0.0000 ( 1062 PWs) bands (ev): -47.8678 -47.8678 -21.9974 -21.9974 -19.2486 -19.2486 -18.8517 -18.8517 11.0346 11.0346 13.8099 13.8099 15.6679 15.6679 15.8124 15.8124 19.4109 19.4109 19.7117 19.7117 22.7824 22.7824 23.0668 23.0668 26.6697 26.6697 k = 0.4219 0.2436-0.0000 ( 1058 PWs) bands (ev): -47.8667 -47.8667 -22.0005 -22.0005 -19.2538 -19.2538 -18.8517 -18.8517 11.0887 11.0887 13.8014 13.8014 15.6390 15.6390 15.7846 15.7846 19.4064 19.4064 19.7969 19.7969 22.7079 22.7079 23.0715 23.0715 26.7014 26.7014 k = 0.4297 0.2481-0.0000 ( 1056 PWs) bands (ev): -47.8658 -47.8658 -22.0033 -22.0033 -19.2586 -19.2586 -18.8518 -18.8518 11.1385 11.1385 13.7950 13.7950 15.6103 15.6103 15.7592 15.7592 19.4013 19.4013 19.8797 19.8797 22.6353 22.6353 23.0788 23.0788 26.7297 26.7297 k = 0.4375 0.2526-0.0000 ( 1058 PWs) bands (ev): -47.8649 -47.8649 -22.0059 -22.0059 -19.2629 -19.2629 -18.8519 -18.8519 11.1839 11.1839 13.7905 13.7905 15.5822 15.5822 15.7365 15.7365 19.3963 19.3963 19.9586 19.9586 22.5656 22.5656 23.0876 23.0876 26.7548 26.7548 k = 0.4453 0.2571-0.0000 ( 1062 PWs) bands (ev): -47.8641 -47.8641 -22.0082 -22.0082 -19.2668 -19.2668 -18.8520 -18.8520 11.2244 11.2244 13.7876 13.7876 15.5554 15.5554 15.7163 15.7163 19.3917 19.3917 20.0326 20.0326 22.5001 22.5001 23.0972 23.0972 26.7767 26.7767 k = 0.4531 0.2616-0.0000 ( 1062 PWs) bands (ev): -47.8635 -47.8635 -22.0102 -22.0102 -19.2701 -19.2701 -18.8520 -18.8520 11.2600 11.2600 13.7861 13.7861 15.5305 15.5305 15.6988 15.6988 19.3876 19.3876 20.1006 20.1006 22.4396 22.4396 23.1069 23.1069 26.7954 26.7954 k = 0.4609 0.2661-0.0000 ( 1066 PWs) bands (ev): -47.8629 -47.8629 -22.0119 -22.0119 -19.2729 -19.2729 -18.8521 -18.8521 11.2904 11.2904 13.7855 13.7855 15.5082 15.5082 15.6840 15.6840 19.3840 19.3840 20.1613 20.1613 22.3853 22.3853 23.1160 23.1160 26.8112 26.8112 k = 0.4688 0.2706-0.0000 ( 1064 PWs) bands (ev): -47.8625 -47.8625 -22.0133 -22.0133 -19.2752 -19.2752 -18.8521 -18.8521 11.3156 11.3156 13.7857 13.7857 15.4890 15.4890 15.6718 15.6718 19.3810 19.3810 20.2136 20.2136 22.3384 22.3384 23.1244 23.1244 26.8240 26.8240 k = 0.4766 0.2751-0.0000 ( 1062 PWs) bands (ev): -47.8621 -47.8621 -22.0143 -22.0143 -19.2770 -19.2770 -18.8521 -18.8521 11.3353 11.3353 13.7862 13.7862 15.4734 15.4734 15.6624 15.6624 19.3787 19.3787 20.2560 20.2560 22.3002 22.3002 23.1313 23.1313 26.8339 26.8339 k = 0.4844 0.2797-0.0000 ( 1062 PWs) bands (ev): -47.8618 -47.8618 -22.0151 -22.0151 -19.2783 -19.2783 -18.8522 -18.8522 11.3494 11.3494 13.7868 13.7868 15.4619 15.4619 15.6557 15.6557 19.3770 19.3770 20.2874 20.2874 22.2718 22.2718 23.1365 23.1365 26.8409 26.8409 k = 0.4922 0.2842-0.0000 ( 1058 PWs) bands (ev): -47.8617 -47.8617 -22.0155 -22.0155 -19.2790 -19.2790 -18.8522 -18.8522 11.3579 11.3579 13.7873 13.7873 15.4549 15.4549 15.6516 15.6516 19.3760 19.3760 20.3068 20.3068 22.2544 22.2544 23.1397 23.1397 26.8452 26.8452 k = 0.5000 0.2887-0.0000 ( 1058 PWs) bands (ev): -47.8616 -47.8616 -22.0157 -22.0157 -19.2793 -19.2793 -18.8522 -18.8522 11.3607 11.3607 13.7874 13.7874 15.4525 15.4525 15.6503 15.6503 19.3756 19.3756 20.3133 20.3133 22.2485 22.2485 23.1408 23.1408 26.8466 26.8466 k = 0.5000 0.2887-0.0000 ( 1058 PWs) bands (ev): -47.8616 -47.8616 -22.0157 -22.0157 -19.2793 -19.2793 -18.8522 -18.8522 11.3607 11.3607 13.7874 13.7874 15.4525 15.4525 15.6503 15.6503 19.3756 19.3756 20.3133 20.3133 22.2485 22.2485 23.1408 23.1408 26.8466 26.8466 k = 0.4955 0.2965-0.0000 ( 1058 PWs) bands (ev): -47.8616 -47.8616 -22.0162 -22.0152 -19.2799 -19.2786 -18.8524 -18.8522 11.3611 11.3637 13.7871 13.7877 15.4509 15.4542 15.6501 15.6515 19.3709 19.3751 20.3110 20.3141 22.2454 22.2468 23.1370 23.1418 26.8482 26.8521 k = 0.4910 0.3043-0.0000 ( 1064 PWs) bands (ev): -47.8616 -47.8616 -22.0167 -22.0149 -19.2807 -19.2781 -18.8529 -18.8525 11.3648 11.3699 13.7868 13.7879 15.4494 15.4560 15.6510 15.6537 19.3608 19.3692 20.3072 20.3133 22.2375 22.2404 23.1303 23.1398 26.8569 26.8647 k = 0.4865 0.3121-0.0000 ( 1064 PWs) bands (ev): -47.8615 -47.8615 -22.0173 -22.0146 -19.2814 -19.2775 -18.8536 -18.8530 11.3718 11.3795 13.7865 13.7882 15.4479 15.4577 15.6530 15.6570 19.3456 19.3582 20.3019 20.3111 22.2250 22.2294 23.1208 23.1350 26.8726 26.8842 k = 0.4820 0.3199-0.0000 ( 1064 PWs) bands (ev): -47.8614 -47.8614 -22.0179 -22.0143 -19.2821 -19.2769 -18.8546 -18.8538 11.3820 11.3923 13.7862 13.7884 15.4464 15.4595 15.6559 15.6614 19.3253 19.3421 20.2953 20.3075 22.2081 22.2139 23.1084 23.1273 26.8952 26.9106 k = 0.4775 0.3277-0.0000 ( 1066 PWs) bands (ev): -47.8612 -47.8612 -22.0185 -22.0140 -19.2829 -19.2764 -18.8558 -18.8547 11.3954 11.4084 13.7859 13.7886 15.4448 15.4613 15.6598 15.6667 19.3003 19.3211 20.2872 20.3025 22.1869 22.1942 23.0932 23.1166 26.9244 26.9435 k = 0.4730 0.3355-0.0000 ( 1066 PWs) bands (ev): -47.8610 -47.8610 -22.0192 -22.0138 -19.2838 -19.2759 -18.8572 -18.8559 11.4120 11.4277 13.7856 13.7887 15.4433 15.4630 15.6647 15.6731 19.2706 19.2955 20.2779 20.2963 22.1618 22.1707 23.0753 23.1031 26.9599 26.9827 k = 0.4685 0.3433-0.0000 ( 1066 PWs) bands (ev): -47.8608 -47.8608 -22.0199 -22.0137 -19.2846 -19.2755 -18.8589 -18.8574 11.4317 11.4500 13.7853 13.7889 15.4415 15.4645 15.6706 15.6805 19.2366 19.2655 20.2674 20.2889 22.1331 22.1435 23.0545 23.0866 27.0014 27.0277 k = 0.4640 0.3511-0.0000 ( 1066 PWs) bands (ev): -47.8606 -47.8606 -22.0207 -22.0136 -19.2855 -19.2751 -18.8607 -18.8589 11.4543 11.4754 13.7851 13.7890 15.4396 15.4658 15.6773 15.6889 19.1987 19.2314 20.2558 20.2805 22.1012 22.1131 23.0309 23.0672 27.0483 27.0782 k = 0.4595 0.3589-0.0000 ( 1058 PWs) bands (ev): -47.8603 -47.8603 -22.0214 -22.0134 -19.2864 -19.2746 -18.8627 -18.8607 11.4799 11.5038 13.7849 13.7892 15.4374 15.4669 15.6850 15.6983 19.1572 19.1937 20.2433 20.2712 22.0666 22.0800 23.0046 23.0449 27.1005 27.1337 k = 0.4550 0.3667-0.0000 ( 1054 PWs) bands (ev): -47.8600 -47.8600 -22.0222 -22.0134 -19.2873 -19.2743 -18.8649 -18.8626 11.5082 11.5349 13.7848 13.7893 15.4348 15.4675 15.6935 15.7085 19.1122 19.1525 20.2301 20.2611 22.0296 22.0445 22.9756 23.0198 27.1572 27.1937 k = 0.4505 0.3745-0.0000 ( 1054 PWs) bands (ev): -47.8597 -47.8597 -22.0230 -22.0134 -19.2883 -19.2740 -18.8672 -18.8647 11.5391 11.5688 13.7848 13.7895 15.4317 15.4676 15.7028 15.7197 19.0644 19.1083 20.2161 20.2504 21.9907 22.0072 22.9438 22.9918 27.2180 27.2576 k = 0.4459 0.3823-0.0000 ( 1056 PWs) bands (ev): -47.8593 -47.8593 -22.0239 -22.0135 -19.2893 -19.2737 -18.8698 -18.8669 11.5725 11.6052 13.7849 13.7897 15.4279 15.4671 15.7128 15.7316 19.0139 19.0615 20.2016 20.2392 21.9505 21.9685 22.9093 22.9610 27.2823 27.3250 k = 0.4414 0.3901-0.0000 ( 1056 PWs) bands (ev): -47.8590 -47.8590 -22.0248 -22.0136 -19.2904 -19.2736 -18.8724 -18.8692 11.6082 11.6441 13.7852 13.7899 15.4234 15.4659 15.7235 15.7443 18.9614 19.0125 20.1867 20.2277 21.9094 21.9288 22.8722 22.9275 27.3497 27.3953 k = 0.4369 0.3979-0.0000 ( 1060 PWs) bands (ev): -47.8586 -47.8586 -22.0258 -22.0138 -19.2915 -19.2734 -18.8751 -18.8716 11.6461 11.6851 13.7857 13.7903 15.4180 15.4637 15.7348 15.7577 18.9072 18.9617 20.1717 20.2162 21.8678 21.8886 22.8326 22.8914 27.4195 27.4680 k = 0.4324 0.4057-0.0000 ( 1062 PWs) bands (ev): -47.8582 -47.8582 -22.0267 -22.0140 -19.2927 -19.2734 -18.8779 -18.8740 11.6859 11.7283 13.7864 13.7909 15.4117 15.4607 15.7467 15.7718 18.8517 18.9095 20.1568 20.2048 21.8263 21.8485 22.7905 22.8527 27.4912 27.5424 k = 0.4279 0.4135-0.0000 ( 1062 PWs) bands (ev): -47.8578 -47.8578 -22.0277 -22.0142 -19.2939 -19.2734 -18.8807 -18.8765 11.7275 11.7732 13.7874 13.7916 15.4041 15.4565 15.7591 15.7864 18.7952 18.8564 20.1422 20.1937 21.7854 21.8088 22.7460 22.8117 27.5642 27.6181 k = 0.4234 0.4213-0.0000 ( 1062 PWs) bands (ev): -47.8573 -47.8573 -22.0287 -22.0145 -19.2951 -19.2734 -18.8836 -18.8790 11.7706 11.8198 13.7888 13.7926 15.3953 15.4510 15.7718 15.8014 18.7382 18.8027 20.1280 20.1832 21.7454 21.7701 22.6994 22.7684 27.6379 27.6943 k = 0.4189 0.4291-0.0000 ( 1062 PWs) bands (ev): -47.8569 -47.8569 -22.0296 -22.0148 -19.2964 -19.2735 -18.8864 -18.8815 11.8148 11.8677 13.7906 13.7939 15.3851 15.4442 15.7849 15.8169 18.6810 18.7488 20.1145 20.1735 21.7068 21.7327 22.6505 22.7230 27.7119 27.7706 k = 0.4144 0.4369-0.0000 ( 1062 PWs) bands (ev): -47.8564 -47.8564 -22.0306 -22.0152 -19.2977 -19.2737 -18.8892 -18.8840 11.8601 11.9167 13.7929 13.7956 15.3733 15.4359 15.7982 15.8326 18.6241 18.6951 20.1019 20.1648 21.6699 21.6969 22.5997 22.6756 27.7854 27.8464 k = 0.4099 0.4447-0.0000 ( 1062 PWs) bands (ev): -47.8560 -47.8560 -22.0316 -22.0155 -19.2990 -19.2739 -18.8920 -18.8864 11.9060 11.9665 13.7957 13.7978 15.3600 15.4261 15.8115 15.8485 18.5678 18.6419 20.0904 20.1574 21.6351 21.6631 22.5470 22.6264 27.8580 27.9212 k = 0.4054 0.4525-0.0000 ( 1062 PWs) bands (ev): -47.8555 -47.8555 -22.0326 -22.0159 -19.3003 -19.2742 -18.8948 -18.8888 11.9523 12.0167 13.7991 13.8006 15.3449 15.4145 15.8249 15.8644 18.5125 18.5897 20.0803 20.1513 21.6028 21.6317 22.4927 22.5757 27.9292 27.9945 k = 0.4009 0.4603-0.0000 ( 1066 PWs) bands (ev): -47.8551 -47.8551 -22.0336 -22.0164 -19.3017 -19.2746 -18.8975 -18.8911 11.9986 12.0671 13.8033 13.8040 15.3280 15.4013 15.8381 15.8801 18.4585 18.5388 20.0716 20.1469 21.5731 21.6027 22.4369 22.5237 27.9985 28.0657 k = 0.3964 0.4681-0.0000 ( 1070 PWs) bands (ev): -47.8547 -47.8547 -22.0346 -22.0169 -19.3031 -19.2750 -18.9000 -18.8933 12.0446 12.1171 13.8081 13.8082 15.3094 15.3864 15.8511 15.8957 18.4061 18.4894 20.0646 20.1443 21.5463 21.5766 22.3799 22.4705 28.0653 28.1343 k = 0.3919 0.4759-0.0000 ( 1070 PWs) bands (ev): -47.8542 -47.8542 -22.0355 -22.0173 -19.3045 -19.2754 -18.9025 -18.8954 12.0898 12.1666 13.8131 13.8140 15.2890 15.3698 15.8637 15.9109 18.3558 18.4421 20.0595 20.1436 21.5227 21.5535 22.3218 22.4165 28.1293 28.2000 k = 0.3874 0.4837-0.0000 ( 1070 PWs) bands (ev): -47.8538 -47.8538 -22.0365 -22.0178 -19.3059 -19.2759 -18.9048 -18.8974 12.1340 12.2149 13.8189 13.8207 15.2671 15.3517 15.8759 15.9256 18.3078 18.3970 20.0562 20.1450 21.5024 21.5334 22.2630 22.3620 28.1901 28.2624 k = 0.3829 0.4915-0.0000 ( 1070 PWs) bands (ev): -47.8534 -47.8534 -22.0374 -22.0183 -19.3072 -19.2764 -18.9069 -18.8992 12.1766 12.2617 13.8257 13.8282 15.2436 15.3321 15.8874 15.9397 18.2626 18.3545 20.0550 20.1484 21.4855 21.5165 22.2038 22.3075 28.2472 28.3209 k = 0.3784 0.4993-0.0000 ( 1076 PWs) bands (ev): -47.8531 -47.8531 -22.0382 -22.0188 -19.3085 -19.2770 -18.9090 -18.9010 12.2173 12.3066 13.8335 13.8366 15.2190 15.3114 15.8982 15.9529 18.2201 18.3147 20.0556 20.1539 21.4720 21.5027 22.1445 22.2532 28.3002 28.3754 k = 0.3739 0.5071-0.0000 ( 1076 PWs) bands (ev): -47.8527 -47.8527 -22.0390 -22.0193 -19.3097 -19.2776 -18.9108 -18.9026 12.2557 12.3490 13.8422 13.8458 15.1934 15.2897 15.9082 15.9652 18.1811 18.2781 20.0582 20.1612 21.4621 21.4921 22.0857 22.1998 28.3491 28.4254 k = 0.3694 0.5149-0.0000 ( 1078 PWs) bands (ev): -47.8524 -47.8524 -22.0398 -22.0197 -19.3109 -19.2782 -18.9124 -18.9040 12.2914 12.3885 13.8517 13.8556 15.1674 15.2676 15.9172 15.9764 18.1455 18.2449 20.0624 20.1703 21.4556 21.4844 22.0278 22.1478 28.3933 28.4707 k = 0.3649 0.5227-0.0000 ( 1078 PWs) bands (ev): -47.8520 -47.8520 -22.0405 -22.0202 -19.3120 -19.2787 -18.9139 -18.9052 12.3240 12.4247 13.8619 13.8658 15.1415 15.2455 15.9253 15.9865 18.1137 18.2152 20.0682 20.1809 21.4525 21.4795 21.9714 22.0978 28.4328 28.5111 k = 0.3604 0.5305-0.0000 ( 1078 PWs) bands (ev): -47.8518 -47.8518 -22.0411 -22.0205 -19.3130 -19.2793 -18.9151 -18.9062 12.3532 12.4571 13.8724 13.8762 15.1162 15.2240 15.9323 15.9953 18.0858 18.1892 20.0751 20.1925 21.4525 21.4769 21.9174 22.0509 28.4672 28.5464 k = 0.3559 0.5383-0.0000 ( 1074 PWs) bands (ev): -47.8515 -47.8515 -22.0417 -22.0209 -19.3139 -19.2797 -18.9162 -18.9071 12.3785 12.4853 13.8829 13.8863 15.0925 15.2038 15.9381 16.0027 18.0620 18.1671 20.0828 20.2046 21.4552 21.4764 21.8669 22.0079 28.4966 28.5764 k = 0.3514 0.5461-0.0000 ( 1070 PWs) bands (ev): -47.8513 -47.8513 -22.0421 -22.0211 -19.3147 -19.2801 -18.9170 -18.9078 12.3998 12.5091 13.8928 13.8958 15.0711 15.1855 15.9428 16.0087 18.0425 18.1490 20.0906 20.2165 21.4601 21.4772 21.8210 21.9701 28.5206 28.6011 k = 0.3468 0.5539-0.0000 ( 1070 PWs) bands (ev): -47.8511 -47.8511 -22.0425 -22.0214 -19.3153 -19.2805 -18.9177 -18.9084 12.4167 12.5279 13.9016 13.9040 15.0529 15.1700 15.9463 16.0133 18.0273 18.1349 20.0980 20.2274 21.4661 21.4787 21.7816 21.9387 28.5394 28.6203 k = 0.3423 0.5617-0.0000 ( 1066 PWs) bands (ev): -47.8510 -47.8510 -22.0428 -22.0215 -19.3157 -19.2808 -18.9181 -18.9088 12.4290 12.5417 13.9086 13.9104 15.0389 15.1581 15.9488 16.0165 18.0165 18.1248 20.1042 20.2365 21.4718 21.4802 21.7509 21.9150 28.5528 28.6340 k = 0.3378 0.5695-0.0000 ( 1064 PWs) bands (ev): -47.8509 -47.8509 -22.0429 -22.0216 -19.3160 -19.2809 -18.9184 -18.9090 12.4365 12.5500 13.9131 13.9146 15.0299 15.1505 15.9502 16.0183 18.0101 18.1189 20.1086 20.2427 21.4759 21.4810 21.7313 21.9004 28.5608 28.6422 k = 0.3333 0.5774-0.0000 ( 1068 PWs) bands (ev): -47.8509 -47.8509 -22.0430 -22.0217 -19.3162 -19.2810 -18.9185 -18.9091 12.4390 12.5528 13.9147 13.9160 15.0268 15.1478 15.9506 16.0189 18.0079 18.1169 20.1102 20.2450 21.4772 21.4813 21.7246 21.8954 28.5635 28.6449 k = 0.3333 0.5774-0.0000 ( 1068 PWs) bands (ev): -47.8509 -47.8509 -22.0430 -22.0217 -19.3162 -19.2810 -18.9185 -18.9091 12.4390 12.5528 13.9147 13.9160 15.0268 15.1478 15.9506 16.0189 18.0079 18.1169 20.1102 20.2450 21.4772 21.4813 21.7246 21.8954 28.5635 28.6449 k = 0.3288 0.5695-0.0000 ( 1060 PWs) bands (ev): -47.8509 -47.8509 -22.0429 -22.0216 -19.3160 -19.2809 -18.9184 -18.9090 12.4364 12.5500 13.9130 13.9145 15.0301 15.1506 15.9503 16.0184 18.0100 18.1189 20.1084 20.2425 21.4764 21.4813 21.7311 21.9003 28.5609 28.6422 k = 0.3243 0.5617-0.0000 ( 1060 PWs) bands (ev): -47.8510 -47.8510 -22.0427 -22.0215 -19.3156 -19.2807 -18.9181 -18.9088 12.4286 12.5413 13.9080 13.9100 15.0400 15.1591 15.9492 16.0169 18.0163 18.1246 20.1022 20.2341 21.4755 21.4822 21.7493 21.9146 28.5530 28.6341 k = 0.3198 0.5539-0.0000 ( 1068 PWs) bands (ev): -47.8512 -47.8512 -22.0424 -22.0213 -19.3151 -19.2804 -18.9177 -18.9084 12.4154 12.5266 13.8999 13.9025 15.0565 15.1733 15.9475 16.0145 18.0264 18.1340 20.0912 20.2193 21.4771 21.4851 21.7769 21.9371 28.5399 28.6208 k = 0.3153 0.5461-0.0000 ( 1068 PWs) bands (ev): -47.8514 -47.8514 -22.0419 -22.0209 -19.3143 -19.2798 -18.9171 -18.9079 12.3968 12.5059 13.8891 13.8926 15.0793 15.1931 15.9456 16.0117 18.0403 18.1470 20.0750 20.1977 21.4832 21.4913 21.8120 21.9670 28.5218 28.6023 k = 0.3108 0.5383-0.0000 ( 1072 PWs) bands (ev): -47.8516 -47.8516 -22.0413 -22.0205 -19.3132 -19.2790 -18.9164 -18.9073 12.3726 12.4791 13.8764 13.8806 15.1077 15.2180 15.9434 16.0084 18.0577 18.1633 20.0532 20.1694 21.4951 21.5019 21.8531 22.0030 28.4988 28.5788 k = 0.3063 0.5305-0.0000 ( 1073 PWs) bands (ev): -47.8519 -47.8519 -22.0405 -22.0199 -19.3119 -19.2780 -18.9155 -18.9066 12.3429 12.4463 13.8625 13.8673 15.1412 15.2475 15.9414 16.0050 18.0786 18.1828 20.0260 20.1348 21.5133 21.5174 21.8989 22.0442 28.4709 28.5504 k = 0.3018 0.5227-0.0000 ( 1067 PWs) bands (ev): -47.8523 -47.8523 -22.0395 -22.0190 -19.3102 -19.2767 -18.9145 -18.9057 12.3076 12.4075 13.8481 13.8533 15.1789 15.2809 15.9396 16.0018 18.1025 18.2053 19.9935 20.0943 21.5378 21.5384 21.9488 22.0897 28.4384 28.5172 k = 0.2973 0.5149-0.0000 ( 1071 PWs) bands (ev): -47.8528 -47.8528 -22.0384 -22.0182 -19.3082 -19.2752 -18.9134 -18.9047 12.2669 12.3628 13.8340 13.8394 15.2199 15.3175 15.9383 15.9988 18.1293 18.2304 19.9560 20.0485 21.5646 21.5682 22.0017 22.1387 28.4013 28.4794 k = 0.2928 0.5071-0.0000 ( 1075 PWs) bands (ev): -47.8533 -47.8533 -22.0370 -22.0172 -19.3060 -19.2735 -18.9121 -18.9037 12.2207 12.3123 13.8209 13.8260 15.2635 15.3566 15.9376 15.9964 18.1587 18.2581 19.9141 19.9982 21.5961 21.6041 22.0572 22.1905 28.3599 28.4371 k = 0.2883 0.4993-0.0000 ( 1075 PWs) bands (ev): -47.8539 -47.8539 -22.0355 -22.0159 -19.3034 -19.2714 -18.9108 -18.9025 12.1694 12.2565 13.8093 13.8139 15.3088 15.3976 15.9377 15.9947 18.1906 18.2881 19.8682 19.9442 21.6326 21.6449 22.1146 22.2445 28.3141 28.3905 k = 0.2838 0.4915-0.0000 ( 1079 PWs) bands (ev): -47.8545 -47.8545 -22.0338 -22.0146 -19.3005 -19.2691 -18.9094 -18.9013 12.1130 12.1955 13.7996 13.8034 15.3552 15.4397 15.9389 15.9939 18.2246 18.3203 19.8189 19.8871 21.6736 21.6903 22.1735 22.3000 28.2642 28.3396 k = 0.2793 0.4837-0.0000 ( 1075 PWs) bands (ev): -47.8553 -47.8553 -22.0319 -22.0130 -19.2972 -19.2665 -18.9078 -18.9000 12.0519 12.1296 13.7922 13.7949 15.4020 15.4823 15.9413 15.9944 18.2606 18.3543 19.7667 19.8275 21.7190 21.7397 22.2334 22.3568 28.2104 28.2847 k = 0.2748 0.4759-0.0000 ( 1075 PWs) bands (ev): -47.8561 -47.8561 -22.0297 -22.0112 -19.2936 -19.2635 -18.9062 -18.8986 11.9864 12.0594 13.7871 13.7886 15.4486 15.5250 15.9451 15.9961 18.2983 18.3901 19.7120 19.7658 21.7682 21.7927 22.2938 22.4143 28.1526 28.2259 k = 0.2703 0.4681-0.0000 ( 1073 PWs) bands (ev): -47.8569 -47.8569 -22.0274 -22.0093 -19.2896 -19.2602 -18.9045 -18.8972 11.9168 11.9851 13.7846 13.7848 15.4944 15.5670 15.9504 15.9993 18.3376 18.4275 19.6554 19.7026 21.8210 21.8491 22.3543 22.4721 28.0911 28.1633 k = 0.2658 0.4603-0.0000 ( 1073 PWs) bands (ev): -47.8578 -47.8578 -22.0249 -22.0072 -19.2853 -19.2567 -18.9028 -18.8957 11.8434 11.9072 13.7835 13.7847 15.5390 15.6080 15.9574 16.0042 18.3782 18.4661 19.5971 19.6382 21.8769 21.9084 22.4146 22.5299 28.0260 28.0970 k = 0.2613 0.4525-0.0000 ( 1069 PWs) bands (ev): -47.8588 -47.8588 -22.0221 -22.0048 -19.2806 -19.2527 -18.9010 -18.8941 11.7666 11.8261 13.7849 13.7874 15.5819 15.6474 15.9662 16.0108 18.4201 18.5060 19.5375 19.5729 21.9359 21.9705 22.4745 22.5875 27.9575 28.0272 k = 0.2568 0.4447-0.0000 ( 1071 PWs) bands (ev): -47.8599 -47.8599 -22.0192 -22.0023 -19.2756 -19.2485 -18.8992 -18.8926 11.6868 11.7421 13.7888 13.7926 15.6227 15.6849 15.9769 16.0193 18.4629 18.5468 19.4767 19.5068 21.9975 22.0352 22.5337 22.6447 27.8855 27.9539 k = 0.2523 0.4369-0.0000 ( 1071 PWs) bands (ev): -47.8611 -47.8611 -22.0161 -21.9996 -19.2702 -19.2440 -18.8973 -18.8910 11.6043 11.6557 13.7954 13.8004 15.6610 15.7201 15.9896 16.0299 18.5065 18.5884 19.4151 19.4402 22.0616 22.1023 22.5922 22.7015 27.8102 27.8773 k = 0.2477 0.4291-0.0000 ( 1071 PWs) bands (ev): -47.8623 -47.8623 -22.0127 -21.9968 -19.2645 -19.2391 -18.8954 -18.8894 11.5195 11.5671 13.8045 13.8106 15.6967 15.7527 16.0044 16.0425 18.5507 18.6306 19.3527 19.3733 22.1279 22.1717 22.6498 22.7578 27.7317 27.7975 k = 0.2432 0.4213-0.0000 ( 1071 PWs) bands (ev): -47.8636 -47.8636 -22.0091 -21.9937 -19.2584 -19.2338 -18.8935 -18.8877 11.4326 11.4767 13.8161 13.8233 15.7294 15.7825 16.0214 16.0574 18.5954 18.6733 19.2897 19.3061 22.1963 22.2432 22.7068 22.8137 27.6502 27.7145 k = 0.2387 0.4135-0.0000 ( 1067 PWs) bands (ev): -47.8649 -47.8649 -22.0054 -21.9904 -19.2520 -19.2282 -18.8916 -18.8860 11.3440 11.3848 13.8302 13.8384 15.7590 15.8091 16.0404 16.0745 18.6404 18.7162 19.2262 19.2388 22.2666 22.3168 22.7631 22.8695 27.5657 27.6286 k = 0.2342 0.4057-0.0000 ( 1067 PWs) bands (ev): -47.8663 -47.8663 -22.0014 -21.9869 -19.2452 -19.2223 -18.8897 -18.8844 11.2539 11.2916 13.8467 13.8557 15.7853 15.8325 16.0617 16.0941 18.6854 18.7589 19.1622 19.1715 22.3386 22.3922 22.8189 22.9252 27.4782 27.5396 k = 0.2297 0.3979-0.0000 ( 1071 PWs) bands (ev): -47.8678 -47.8678 -21.9973 -21.9833 -19.2381 -19.2161 -18.8878 -18.8827 11.1626 11.1975 13.8655 13.8753 15.8084 15.8524 16.0851 16.1160 18.7300 18.8008 19.0980 19.1047 22.4121 22.4694 22.8744 22.9812 27.3879 27.4479 k = 0.2252 0.3901-0.0000 ( 1071 PWs) bands (ev): -47.8694 -47.8694 -21.9929 -21.9795 -19.2307 -19.2095 -18.8858 -18.8810 11.0704 11.1026 13.8866 13.8970 15.8280 15.8689 16.1108 16.1404 18.7736 18.8403 19.0342 19.0400 22.4870 22.5482 22.9301 23.0378 27.2949 27.3533 k = 0.2207 0.3823-0.0000 ( 1071 PWs) bands (ev): -47.8710 -47.8710 -21.9885 -21.9755 -19.2229 -19.2026 -18.8839 -18.8794 10.9774 11.0072 13.9098 13.9207 15.8442 15.8818 16.1388 16.1673 18.8137 18.8696 18.9730 18.9848 22.5632 22.6287 22.9861 23.0954 27.1992 27.2561 k = 0.2162 0.3745-0.0000 ( 1071 PWs) bands (ev): -47.8726 -47.8726 -21.9838 -21.9714 -19.2148 -19.1954 -18.8820 -18.8777 10.8840 10.9114 13.9352 13.9465 15.8568 15.8912 16.1691 16.1968 18.8364 18.8573 18.9282 18.9706 22.6405 22.7105 23.0431 23.1544 27.1009 27.1562 k = 0.2117 0.3667-0.0000 ( 1073 PWs) bands (ev): -47.8743 -47.8743 -21.9789 -21.9671 -19.2064 -19.1879 -18.8801 -18.8761 10.7901 10.8155 13.9626 13.9743 15.8659 15.8971 16.2018 16.2288 18.8015 18.8045 18.9367 18.9989 22.7187 22.7936 23.1013 23.2152 27.0001 27.0538 k = 0.2072 0.3589-0.0000 ( 1073 PWs) bands (ev): -47.8761 -47.8761 -21.9739 -21.9626 -19.1977 -19.1801 -18.8782 -18.8744 10.6961 10.7195 13.9919 14.0039 15.8716 15.8995 16.2371 16.2635 18.7342 18.7431 18.9734 19.0375 22.7978 22.8778 23.1611 23.2780 26.8968 26.9490 k = 0.2027 0.3511-0.0000 ( 1073 PWs) bands (ev): -47.8779 -47.8779 -21.9688 -21.9580 -19.1887 -19.1720 -18.8763 -18.8728 10.6022 10.6237 14.0231 14.0352 15.8738 15.8987 16.2750 16.3009 18.6634 18.6751 19.0150 19.0783 22.8778 22.9630 23.2231 23.3433 26.7911 26.8417 k = 0.1982 0.3433-0.0000 ( 1071 PWs) bands (ev): -47.8798 -47.8798 -21.9635 -21.9532 -19.1794 -19.1635 -18.8745 -18.8712 10.5083 10.5281 14.0561 14.0683 15.8728 15.8947 16.3155 16.3409 18.5908 18.6045 19.0577 19.1197 22.9585 23.0489 23.2877 23.4114 26.6831 26.7321 k = 0.1937 0.3355-0.0000 ( 1071 PWs) bands (ev): -47.8817 -47.8817 -21.9581 -21.9483 -19.1699 -19.1548 -18.8727 -18.8696 10.4148 10.4330 14.0908 14.1030 15.8686 15.8877 16.3587 16.3836 18.5167 18.5322 19.1004 19.1609 23.0401 23.1355 23.3551 23.4823 26.5729 26.6203 k = 0.1892 0.3277-0.0000 ( 1071 PWs) bands (ev): -47.8836 -47.8836 -21.9526 -21.9433 -19.1601 -19.1459 -18.8709 -18.8680 10.3217 10.3385 14.1270 14.1392 15.8614 15.8779 16.4046 16.4290 18.4414 18.4583 19.1428 19.2018 23.1224 23.2224 23.4258 23.5561 26.4605 26.5062 k = 0.1847 0.3199-0.0000 ( 1071 PWs) bands (ev): -47.8856 -47.8856 -21.9470 -21.9382 -19.1501 -19.1366 -18.8692 -18.8665 10.2292 10.2445 14.1647 14.1768 15.8515 15.8656 16.4533 16.4771 18.3650 18.3832 19.1846 19.2421 23.2058 23.3096 23.4999 23.6329 26.3460 26.3901 k = 0.1802 0.3121-0.0000 ( 1071 PWs) bands (ev): -47.8876 -47.8876 -21.9413 -21.9330 -19.1398 -19.1272 -18.8675 -18.8650 10.1373 10.1514 14.2038 14.2157 15.8392 15.8510 16.5047 16.5278 18.2877 18.3069 19.2257 19.2817 23.2901 23.3970 23.5777 23.7126 26.2294 26.2719 k = 0.1757 0.3043-0.0000 ( 1073 PWs) bands (ev): -47.8897 -47.8897 -21.9355 -21.9277 -19.1294 -19.1175 -18.8659 -18.8636 10.0462 10.0591 14.2440 14.2557 15.8247 15.8343 16.5588 16.5813 18.2095 18.2296 19.2660 19.3205 23.3756 23.4846 23.6591 23.7951 26.1108 26.1517 k = 0.1712 0.2965-0.0000 ( 1073 PWs) bands (ev): -47.8917 -47.8917 -21.9297 -21.9224 -19.1187 -19.1076 -18.8643 -18.8622 9.9560 9.9678 14.2854 14.2967 15.8083 15.8159 16.6156 16.6375 18.1306 18.1514 19.3055 19.3585 23.4624 23.5726 23.7439 23.8802 25.9903 26.0297 k = 0.1667 0.2887-0.0000 ( 1073 PWs) bands (ev): -47.8938 -47.8938 -21.9238 -21.9170 -19.1079 -19.0976 -18.8627 -18.8608 9.8668 9.8776 14.3276 14.3386 15.7903 15.7961 16.6752 16.6963 18.0511 18.0726 19.3440 19.3956 23.5506 23.6611 23.8317 23.9675 25.8681 25.9058 k = 0.1622 0.2809-0.0000 ( 1073 PWs) bands (ev): -47.8959 -47.8959 -21.9179 -21.9115 -19.0970 -19.0873 -18.8611 -18.8594 9.7787 9.7885 14.3705 14.3811 15.7711 15.7752 16.7375 16.7577 17.9711 17.9931 19.3817 19.4318 23.6403 23.7505 23.9222 24.0570 25.7440 25.7802 k = 0.1577 0.2731-0.0000 ( 1079 PWs) bands (ev): -47.8980 -47.8980 -21.9121 -21.9061 -19.0859 -19.0770 -18.8597 -18.8581 9.6917 9.7007 14.4138 14.4239 15.7510 15.7536 16.8024 16.8218 17.8908 17.9134 19.4183 19.4670 23.7315 23.8409 24.0149 24.1483 25.6183 25.6529 k = 0.1532 0.2653-0.0000 ( 1079 PWs) bands (ev): -47.9002 -47.9002 -21.9061 -21.9006 -19.0747 -19.0665 -18.8582 -18.8568 9.6061 9.6143 14.4574 14.4670 15.7305 15.7315 16.8700 16.8884 17.8105 17.8336 19.4539 19.5011 23.8242 23.9327 24.1094 24.2411 25.4909 25.5240 k = 0.1486 0.2575-0.0000 ( 1079 PWs) bands (ev): -47.9023 -47.9023 -21.9002 -21.8951 -19.0634 -19.0558 -18.8568 -18.8555 9.5218 9.5292 14.5009 14.5099 15.7095 15.7099 16.9403 16.9575 17.7303 17.7539 19.4884 19.5342 23.9185 24.0257 24.2054 24.3352 25.3621 25.3937 k = 0.1441 0.2497-0.0000 ( 1083 PWs) bands (ev): -47.9044 -47.9044 -21.8944 -21.8896 -19.0521 -19.0452 -18.8555 -18.8543 9.4389 9.4456 14.5439 14.5522 15.6879 15.6896 17.0130 17.0287 17.6504 17.6748 19.5219 19.5663 24.0143 24.1201 24.3024 24.4302 25.2317 25.2619 k = 0.1396 0.2419-0.0000 ( 1079 PWs) bands (ev): -47.9065 -47.9065 -21.8884 -21.8841 -19.0407 -19.0344 -18.8541 -18.8531 9.3576 9.3637 14.5861 14.5937 15.6673 15.6703 17.0885 17.1021 17.5711 17.5968 19.5542 19.5973 24.1114 24.2158 24.4002 24.5260 25.1001 25.1288 k = 0.1351 0.2341-0.0000 ( 1083 PWs) bands (ev): -47.9087 -47.9087 -21.8827 -21.8787 -19.0293 -19.0236 -18.8529 -18.8520 9.2779 9.2834 14.6270 14.6338 15.6481 15.6523 17.1663 17.1765 17.4925 17.5209 19.5855 19.6271 24.2098 24.3127 24.4984 24.6220 24.9672 24.9946 k = 0.1306 0.2263-0.0000 ( 1083 PWs) bands (ev): -47.9108 -47.9107 -21.8769 -21.8733 -19.0180 -19.0127 -18.8516 -18.8509 9.1999 9.2048 14.6661 14.6720 15.6310 15.6363 17.2466 17.2485 17.4151 17.4508 19.6156 19.6557 24.3093 24.4108 24.5963 24.7171 24.8337 24.8604 k = 0.1261 0.2185-0.0000 ( 1083 PWs) bands (ev): -47.9128 -47.9128 -21.8712 -21.8679 -19.0066 -19.0019 -18.8505 -18.8498 9.1237 9.1280 14.7026 14.7077 15.6165 15.6230 17.2952 17.3230 17.3451 17.4096 19.6445 19.6833 24.4098 24.5097 24.6789 24.7143 24.7180 24.8191 k = 0.1216 0.2107-0.0000 ( 1085 PWs) bands (ev): -47.9149 -47.9149 -21.8656 -21.8627 -18.9954 -18.9912 -18.8493 -18.8488 9.0493 9.0532 14.7360 14.7402 15.6054 15.6129 17.2615 17.2619 17.4164 17.4525 19.6723 19.7097 24.5109 24.5588 24.5826 24.6097 24.7958 24.9129 k = 0.1171 0.2029-0.0000 ( 1085 PWs) bands (ev): -47.9169 -47.9169 -21.8602 -21.8575 -18.9842 -18.9804 -18.8482 -18.8478 8.9768 8.9803 14.7657 14.7690 15.5983 15.6068 17.1886 17.1962 17.5040 17.5309 19.6990 19.7350 24.4224 24.4443 24.6126 24.7096 24.8929 25.0080 k = 0.1126 0.1951-0.0000 ( 1085 PWs) bands (ev): -47.9189 -47.9189 -21.8548 -21.8524 -18.9732 -18.9698 -18.8471 -18.8468 8.9063 8.9094 14.7909 14.7933 15.5958 15.6052 17.1167 17.1270 17.5941 17.6173 19.7245 19.7591 24.2844 24.3049 24.7146 24.8098 24.9897 25.1024 k = 0.1081 0.1872-0.0000 ( 1077 PWs) bands (ev): -47.9208 -47.9208 -21.8495 -21.8473 -18.9623 -18.9593 -18.8460 -18.8457 8.8379 8.8406 14.8112 14.8128 15.5986 15.6086 17.0467 17.0580 17.6866 17.7076 19.7490 19.7822 24.1455 24.1648 24.8166 24.9101 25.0856 25.1958 k = 0.1036 0.1794-0.0000 ( 1081 PWs) bands (ev): -47.9228 -47.9228 -21.8444 -21.8425 -18.9516 -18.9491 -18.8450 -18.8448 8.7717 8.7741 14.8262 14.8271 15.6067 15.6172 16.9786 16.9903 17.7812 17.8007 19.7722 19.8041 24.0059 24.0240 24.9183 25.0100 25.1802 25.2877 k = 0.0991 0.1716-0.0000 ( 1083 PWs) bands (ev): -47.9246 -47.9246 -21.8394 -21.8377 -18.9412 -18.9390 -18.8440 -18.8439 8.7076 8.7097 14.8359 14.8363 15.6201 15.6310 16.9127 16.9245 17.8781 17.8964 19.7944 19.8248 23.8658 23.8826 25.0196 25.1093 25.2733 25.3780 k = 0.0946 0.1638-0.0000 ( 1083 PWs) bands (ev): -47.9264 -47.9264 -21.8346 -21.8331 -18.9310 -18.9291 -18.8430 -18.8429 8.6459 8.6477 14.8404 14.8405 15.6387 15.6497 16.8492 16.8609 17.9771 17.9944 19.8154 19.8444 23.7251 23.7408 25.1201 25.2076 25.3647 25.4663 k = 0.0901 0.1560-0.0000 ( 1079 PWs) bands (ev): -47.9282 -47.9282 -21.8300 -21.8286 -18.9211 -18.9195 -18.8420 -18.8420 8.5865 8.5880 14.8401 14.8405 15.6618 15.6728 16.7883 16.7996 18.0782 18.0945 19.8354 19.8630 23.5842 23.5987 25.2195 25.3048 25.4540 25.5524 k = 0.0856 0.1482-0.0000 ( 1083 PWs) bands (ev): -47.9299 -47.9299 -21.8255 -21.8244 -18.9115 -18.9102 -18.8410 -18.8410 8.5295 8.5308 14.8359 14.8364 15.6887 15.6995 16.7299 16.7408 18.1811 18.1966 19.8542 19.8805 23.4430 23.4564 25.3176 25.4004 25.5410 25.6359 k = 0.0811 0.1404-0.0000 ( 1083 PWs) bands (ev): -47.9315 -47.9315 -21.8212 -21.8202 -18.9024 -18.9013 -18.8401 -18.8399 8.4750 8.4761 14.8285 14.8291 15.7187 15.7292 16.6742 16.6847 18.2859 18.3006 19.8720 19.8969 23.3017 23.3141 25.4139 25.4941 25.6254 25.7167 k = 0.0766 0.1326-0.0000 ( 1083 PWs) bands (ev): -47.9331 -47.9331 -21.8171 -21.8163 -18.8936 -18.8928 -18.8390 -18.8388 8.4231 8.4240 14.8186 14.8192 15.7509 15.7609 16.6214 16.6314 18.3924 18.4064 19.8888 19.9123 23.1605 23.1718 25.5083 25.5856 25.7070 25.7944 k = 0.0721 0.1248-0.0000 ( 1087 PWs) bands (ev): -47.9346 -47.9346 -21.8132 -21.8126 -18.8854 -18.8848 -18.8379 -18.8376 8.3738 8.3745 14.8068 14.8073 15.7844 15.7939 16.5715 16.5809 18.5005 18.5138 19.9045 19.9266 23.0196 23.0299 25.6002 25.6745 25.7855 25.8687 k = 0.0676 0.1170-0.0000 ( 1083 PWs) bands (ev): -47.9361 -47.9361 -21.8095 -21.8089 -18.8777 -18.8773 -18.8365 -18.8363 8.3271 8.3277 14.7936 14.7941 15.8187 15.8277 16.5246 16.5335 18.6100 18.6227 19.9193 19.9400 22.8790 22.8883 25.6896 25.7606 25.8606 25.9396 k = 0.0631 0.1092-0.0000 ( 1087 PWs) bands (ev): -47.9374 -47.9374 -21.8060 -21.8056 -18.8708 -18.8706 -18.8350 -18.8347 8.2832 8.2837 14.7796 14.7800 15.8529 15.8613 16.4809 16.4892 18.7209 18.7328 19.9332 19.9524 22.7389 22.7473 25.7758 25.8433 25.9321 26.0066 k = 0.0586 0.1014-0.0000 ( 1087 PWs) bands (ev): -47.9387 -47.9387 -21.8027 -21.8024 -18.8647 -18.8645 -18.8331 -18.8328 8.2420 8.2424 14.7651 14.7655 15.8866 15.8943 16.4405 16.4481 18.8328 18.8440 19.9460 19.9639 22.5997 22.6072 25.8587 25.9225 25.9999 26.0696 k = 0.0541 0.0936-0.0000 ( 1083 PWs) bands (ev): -47.9399 -47.9399 -21.7997 -21.7994 -18.8594 -18.8593 -18.8309 -18.8305 8.2037 8.2040 14.7507 14.7510 15.9190 15.9260 16.4036 16.4105 18.9455 18.9561 19.9580 19.9745 22.4616 22.4681 25.9379 25.9977 26.0636 26.1284 k = 0.0495 0.0858-0.0000 ( 1079 PWs) bands (ev): -47.9410 -47.9410 -21.7968 -21.7966 -18.8551 -18.8551 -18.8281 -18.8278 8.1682 8.1685 14.7365 14.7368 15.9497 15.9560 16.3701 16.3764 19.0587 19.0686 19.9692 19.9843 22.3249 22.3306 26.0129 26.0686 26.1231 26.1829 k = 0.0450 0.0780-0.0000 ( 1079 PWs) bands (ev): -47.9420 -47.9420 -21.7942 -21.7941 -18.8518 -18.8517 -18.8249 -18.8247 8.1357 8.1359 14.7228 14.7230 15.9782 15.9837 16.3404 16.3459 19.1720 19.1812 19.9795 19.9932 22.1899 22.1948 26.0833 26.1346 26.1782 26.2328 k = 0.0405 0.0702-0.0000 ( 1079 PWs) bands (ev): -47.9429 -47.9429 -21.7919 -21.7918 -18.8493 -18.8493 -18.8215 -18.8213 8.1061 8.1063 14.7099 14.7100 16.0038 16.0085 16.3147 16.3194 19.2847 19.2932 19.9891 20.0014 22.0573 22.0614 26.1489 26.1956 26.2288 26.2780 k = 0.0360 0.0624-0.0000 ( 1077 PWs) bands (ev): -47.9438 -47.9438 -21.7897 -21.7897 -18.8475 -18.8474 -18.8180 -18.8178 8.0796 8.0797 14.6978 14.6979 16.0261 16.0300 16.2932 16.2971 19.3962 19.4040 19.9981 20.0090 21.9278 21.9311 26.2091 26.2510 26.2747 26.3184 k = 0.0315 0.0546-0.0000 ( 1073 PWs) bands (ev): -47.9445 -47.9445 -21.7878 -21.7878 -18.8461 -18.8460 -18.8146 -18.8145 8.0561 8.0561 14.6869 14.6870 16.0447 16.0477 16.2761 16.2791 19.5054 19.5124 20.0066 20.0161 21.8022 21.8048 26.2637 26.3004 26.3159 26.3540 k = 0.0270 0.0468-0.0000 ( 1073 PWs) bands (ev): -47.9452 -47.9452 -21.7862 -21.7862 -18.8450 -18.8450 -18.8115 -18.8114 8.0356 8.0356 14.6772 14.6773 16.0590 16.0612 16.2635 16.2657 19.6106 19.6168 20.0151 20.0230 21.6819 21.6838 26.3122 26.3432 26.3527 26.3845 k = 0.0225 0.0390-0.0000 ( 1073 PWs) bands (ev): -47.9457 -47.9457 -21.7848 -21.7848 -18.8443 -18.8442 -18.8087 -18.8086 8.0183 8.0183 14.6688 14.6688 16.0693 16.0707 16.2552 16.2565 19.7096 19.7147 20.0240 20.0304 21.5686 21.5699 26.3543 26.3784 26.3855 26.4101 k = 0.0180 0.0312-0.0000 ( 1077 PWs) bands (ev): -47.9462 -47.9462 -21.7837 -21.7837 -18.8437 -18.8437 -18.8064 -18.8063 8.0040 8.0040 14.6618 14.6618 16.0757 16.0765 16.2505 16.2512 19.7984 19.8024 20.0344 20.0392 21.4652 21.4660 26.3897 26.4059 26.4141 26.4306 k = 0.0135 0.0234-0.0000 ( 1081 PWs) bands (ev): -47.9465 -47.9465 -21.7829 -21.7829 -18.8433 -18.8433 -18.8045 -18.8045 7.9929 7.9929 14.6563 14.6563 16.0792 16.0795 16.2484 16.2487 19.8716 19.8741 20.0484 20.0513 21.3753 21.3757 26.4181 26.4272 26.4368 26.4460 k = 0.0090 0.0156-0.0000 ( 1081 PWs) bands (ev): -47.9468 -47.9468 -21.7823 -21.7823 -18.8431 -18.8431 -18.8032 -18.8032 7.9850 7.9850 14.6523 14.6523 16.0808 16.0809 16.2478 16.2479 19.9226 19.9236 20.0671 20.0683 21.3041 21.3042 26.4391 26.4429 26.4526 26.4565 k = 0.0045 0.0078-0.0000 ( 1081 PWs) bands (ev): -47.9469 -47.9469 -21.7819 -21.7819 -18.8429 -18.8429 -18.8024 -18.8024 7.9802 7.9802 14.6499 14.6499 16.0813 16.0813 16.2479 16.2479 19.9495 19.9496 20.0857 20.0859 21.2576 21.2577 26.4524 26.4531 26.4615 26.4622 k = 0.0000 0.0000 0.0000 ( 1081 PWs) bands (ev): -47.9470 -47.9470 -21.7818 -21.7818 -18.8429 -18.8429 -18.8021 -18.8021 7.9787 7.9787 14.6491 14.6491 16.0814 16.0814 16.2480 16.2480 19.9573 19.9573 20.0936 20.0936 21.2414 21.2414 26.4569 26.4569 26.4641 26.4641 k = 0.0000 0.0000 0.0000 ( 1081 PWs) bands (ev): -47.9470 -47.9470 -21.7818 -21.7818 -18.8429 -18.8429 -18.8021 -18.8021 7.9787 7.9787 14.6491 14.6491 16.0814 16.0814 16.2480 16.2480 19.9573 19.9573 20.0936 20.0936 21.2414 21.2414 26.4569 26.4569 26.4641 26.4641 k = 0.0000 0.0000 0.0091 ( 1081 PWs) bands (ev): -47.9470 -47.9470 -21.7818 -21.7818 -18.8431 -18.8431 -18.8021 -18.8021 7.9805 7.9805 14.6492 14.6492 16.0811 16.0832 16.2487 16.2487 19.9547 19.9547 20.0887 20.0932 21.2395 21.2395 26.4552 26.4603 26.4650 26.4650 k = 0.0000 0.0000 0.0182 ( 1081 PWs) bands (ev): -47.9469 -47.9469 -21.7821 -21.7821 -18.8439 -18.8439 -18.8020 -18.8020 7.9860 7.9860 14.6493 14.6493 16.0820 16.0863 16.2507 16.2507 19.9468 19.9468 20.0783 20.0874 21.2339 21.2339 26.4555 26.4657 26.4678 26.4678 k = 0.0000 0.0000 0.0273 ( 1081 PWs) bands (ev): -47.9467 -47.9467 -21.7825 -21.7825 -18.8451 -18.8451 -18.8018 -18.8018 7.9952 7.9952 14.6496 14.6496 16.0844 16.0907 16.2542 16.2542 19.9337 19.9337 20.0626 20.0762 21.2246 21.2246 26.4575 26.4724 26.4724 26.4727 k = 0.0000 0.0000 0.0365 ( 1093 PWs) bands (ev): -47.9465 -47.9465 -21.7833 -21.7833 -18.8470 -18.8470 -18.8016 -18.8016 8.0079 8.0079 14.6498 14.6498 16.0881 16.0966 16.2590 16.2590 19.9153 19.9153 20.0415 20.0596 21.2118 21.2118 26.4611 26.4785 26.4785 26.4812 k = 0.0000 0.0000 0.0456 ( 1081 PWs) bands (ev): -47.9462 -47.9462 -21.7839 -21.7839 -18.8492 -18.8492 -18.8012 -18.8012 8.0244 8.0244 14.6501 14.6501 16.0932 16.1038 16.2653 16.2653 19.8924 19.8924 20.0158 20.0382 21.1956 21.1956 26.4662 26.4860 26.4860 26.4911 k = 0.0000 0.0000 0.0547 ( 1081 PWs) bands (ev): -47.9459 -47.9459 -21.7849 -21.7849 -18.8519 -18.8519 -18.8009 -18.8009 8.0444 8.0444 14.6504 14.6504 16.0996 16.1124 16.2729 16.2729 19.8645 19.8645 19.9850 20.0118 21.1761 21.1761 26.4724 26.4946 26.4946 26.5019 k = 0.0000 0.0000 0.0638 ( 1081 PWs) bands (ev): -47.9455 -47.9455 -21.7860 -21.7860 -18.8551 -18.8551 -18.8004 -18.8004 8.0681 8.0681 14.6504 14.6504 16.1073 16.1222 16.2818 16.2818 19.8321 19.8321 19.9496 19.9806 21.1538 21.1538 26.4795 26.5040 26.5040 26.5134 k = 0.0000 0.0000 0.0729 ( 1081 PWs) bands (ev): -47.9451 -47.9451 -21.7873 -21.7873 -18.8587 -18.8587 -18.8000 -18.8000 8.0952 8.0952 14.6501 14.6501 16.1163 16.1335 16.2920 16.2920 19.7954 19.7954 19.9099 19.9451 21.1288 21.1288 26.4870 26.5138 26.5138 26.5253 k = 0.0000 0.0000 0.0820 ( 1081 PWs) bands (ev): -47.9446 -47.9446 -21.7888 -21.7888 -18.8628 -18.8628 -18.7994 -18.7994 8.1259 8.1259 14.6494 14.6494 16.1266 16.1460 16.3035 16.3035 19.7548 19.7548 19.8661 19.9054 21.1014 21.1014 26.4947 26.5236 26.5236 26.5370 k = 0.0000 0.0000 0.0912 ( 1081 PWs) bands (ev): -47.9440 -47.9440 -21.7904 -21.7904 -18.8673 -18.8673 -18.7988 -18.7988 8.1601 8.1601 14.6481 14.6481 16.1382 16.1598 16.3164 16.3164 19.7104 19.7104 19.8185 19.8618 21.0719 21.0719 26.5021 26.5331 26.5331 26.5483 k = 0.0000 0.0000 0.1003 ( 1081 PWs) bands (ev): -47.9434 -47.9434 -21.7922 -21.7922 -18.8722 -18.8722 -18.7982 -18.7982 8.1977 8.1977 14.6461 14.6461 16.1510 16.1748 16.3305 16.3305 19.6626 19.6626 19.7675 19.8147 21.0409 21.0409 26.5088 26.5417 26.5417 26.5586 k = 0.0000 0.0000 0.1094 ( 1081 PWs) bands (ev): -47.9428 -47.9428 -21.7941 -21.7941 -18.8775 -18.8775 -18.7975 -18.7975 8.2386 8.2386 14.6432 14.6432 16.1650 16.1912 16.3458 16.3458 19.6117 19.6117 19.7134 19.7643 21.0085 21.0085 26.5145 26.5492 26.5492 26.5677 k = 0.0000 0.0000 0.1185 ( 1081 PWs) bands (ev): -47.9421 -47.9421 -21.7962 -21.7962 -18.8832 -18.8832 -18.7967 -18.7967 8.2829 8.2829 14.6391 14.6391 16.1801 16.2087 16.3624 16.3624 19.5581 19.5581 19.6564 19.7110 20.9752 20.9752 26.5187 26.5551 26.5551 26.5750 k = 0.0000 0.0000 0.1276 ( 1081 PWs) bands (ev): -47.9413 -47.9413 -21.7984 -21.7984 -18.8892 -18.8892 -18.7959 -18.7959 8.3305 8.3305 14.6337 14.6337 16.1965 16.2275 16.3801 16.3801 19.5020 19.5020 19.5969 19.6551 20.9415 20.9415 26.5212 26.5590 26.5590 26.5803 k = 0.0000 0.0000 0.1367 ( 1081 PWs) bands (ev): -47.9405 -47.9405 -21.8007 -21.8007 -18.8955 -18.8955 -18.7951 -18.7950 8.3812 8.3812 14.6268 14.6268 16.2139 16.2474 16.3990 16.3990 19.4437 19.4437 19.5352 19.5970 20.9078 20.9078 26.5215 26.5606 26.5606 26.5831 k = 0.0000 0.0000 0.1459 ( 1081 PWs) bands (ev): -47.9397 -47.9397 -21.8032 -21.8032 -18.9021 -18.9021 -18.7942 -18.7941 8.4351 8.4351 14.6182 14.6182 16.2325 16.2684 16.4190 16.4190 19.3835 19.3835 19.4716 19.5369 20.8744 20.8744 26.5195 26.5597 26.5597 26.5833 k = 0.0000 0.0000 0.1550 ( 1087 PWs) bands (ev): -47.9389 -47.9389 -21.8059 -21.8059 -18.9090 -18.9090 -18.7933 -18.7933 8.4921 8.4921 14.6075 14.6075 16.2520 16.2905 16.4400 16.4400 19.3217 19.3217 19.4064 19.4750 20.8418 20.8418 26.5147 26.5558 26.5558 26.5805 k = 0.0000 0.0000 0.1641 ( 1087 PWs) bands (ev): -47.9380 -47.9380 -21.8086 -21.8086 -18.9161 -18.9161 -18.7923 -18.7923 8.5521 8.5521 14.5947 14.5947 16.2726 16.3137 16.4621 16.4621 19.2587 19.2587 19.3399 19.4119 20.8104 20.8104 26.5072 26.5490 26.5490 26.5746 k = 0.0000 0.0000 0.1732 ( 1087 PWs) bands (ev): -47.9370 -47.9370 -21.8114 -21.8114 -18.9234 -18.9234 -18.7913 -18.7913 8.6150 8.6150 14.5794 14.5794 16.2942 16.3379 16.4851 16.4851 19.1947 19.1947 19.2724 19.3476 20.7806 20.7806 26.4966 26.5389 26.5389 26.5654 k = 0.0000 0.0000 0.1823 ( 1093 PWs) bands (ev): -47.9361 -47.9361 -21.8144 -21.8144 -18.9309 -18.9309 -18.7903 -18.7903 8.6807 8.6807 14.5614 14.5614 16.3167 16.3631 16.5091 16.5091 19.1299 19.1299 19.2039 19.2824 20.7528 20.7528 26.4830 26.5255 26.5255 26.5528 k = 0.0000 0.0000 0.1914 ( 1093 PWs) bands (ev): -47.9351 -47.9351 -21.8174 -21.8174 -18.9386 -18.9386 -18.7892 -18.7892 8.7493 8.7493 14.5406 14.5406 16.3400 16.3892 16.5340 16.5340 19.0647 19.0647 19.1351 19.2167 20.7274 20.7274 26.4662 26.5087 26.5087 26.5368 k = 0.0000 0.0000 0.2006 ( 1093 PWs) bands (ev): -47.9341 -47.9341 -21.8205 -21.8205 -18.9464 -18.9464 -18.7881 -18.7881 8.8206 8.8206 14.5166 14.5166 16.3642 16.4162 16.5597 16.5597 18.9991 18.9991 19.0659 19.1506 20.7046 20.7046 26.4463 26.4886 26.4886 26.5175 k = 0.0000 0.0000 0.2097 ( 1093 PWs) bands (ev): -47.9331 -47.9331 -21.8237 -21.8237 -18.9542 -18.9542 -18.7870 -18.7870 8.8944 8.8944 14.4894 14.4894 16.3891 16.4440 16.5862 16.5862 18.9336 18.9336 18.9966 19.0845 20.6848 20.6848 26.4234 26.4652 26.4652 26.4948 k = 0.0000 0.0000 0.2188 ( 1093 PWs) bands (ev): -47.9321 -47.9321 -21.8269 -21.8269 -18.9622 -18.9622 -18.7859 -18.7859 8.9709 8.9709 14.4587 14.4587 16.4148 16.4726 16.6134 16.6134 18.8681 18.8681 18.9274 19.0184 20.6682 20.6682 26.3975 26.4385 26.4385 26.4688 k = 0.0000 0.0000 0.2279 ( 1081 PWs) bands (ev): -47.9310 -47.9310 -21.8301 -21.8301 -18.9701 -18.9701 -18.7847 -18.7847 9.0497 9.0497 14.4245 14.4245 16.4412 16.5020 16.6413 16.6413 18.8032 18.8032 18.8587 18.9527 20.6550 20.6550 26.3687 26.4089 26.4089 26.4399 k = 0.0000 0.0000 0.2370 ( 1081 PWs) bands (ev): -47.9299 -47.9299 -21.8335 -21.8335 -18.9781 -18.9781 -18.7836 -18.7836 9.1310 9.1310 14.3864 14.3864 16.4681 16.5320 16.6698 16.6698 18.7387 18.7387 18.7903 18.8873 20.6454 20.6454 26.3374 26.3764 26.3764 26.4080 k = 0.0000 0.0000 0.2461 ( 1081 PWs) bands (ev): -47.9289 -47.9289 -21.8368 -21.8368 -18.9860 -18.9860 -18.7825 -18.7824 9.2145 9.2145 14.3445 14.3445 16.4956 16.5626 16.6988 16.6988 18.6748 18.6748 18.7226 18.8226 20.6396 20.6396 26.3035 26.3412 26.3412 26.3735 k = 0.0000 0.0000 0.2553 ( 1081 PWs) bands (ev): -47.9278 -47.9278 -21.8402 -21.8402 -18.9940 -18.9940 -18.7813 -18.7813 9.3002 9.3002 14.2987 14.2987 16.5236 16.5937 16.7283 16.7283 18.6119 18.6119 18.6557 18.7586 20.6375 20.6375 26.2676 26.3037 26.3037 26.3366 k = 0.0000 0.0000 0.2644 ( 1081 PWs) bands (ev): -47.9268 -47.9268 -21.8436 -21.8436 -19.0019 -19.0019 -18.7802 -18.7802 9.3881 9.3881 14.2489 14.2489 16.5520 16.6253 16.7581 16.7581 18.5498 18.5498 18.5897 18.6955 20.6392 20.6392 26.2296 26.2640 26.2640 26.2975 k = 0.0000 0.0000 0.2735 ( 1088 PWs) bands (ev): -47.9258 -47.9258 -21.8471 -21.8471 -19.0097 -19.0097 -18.7791 -18.7790 9.4780 9.4780 14.1952 14.1952 16.5807 16.6574 16.7883 16.7883 18.4889 18.4889 18.5247 18.6334 20.6446 20.6446 26.1900 26.2225 26.2225 26.2567 k = 0.0000 0.0000 0.2826 ( 1088 PWs) bands (ev): -47.9247 -47.9247 -21.8505 -21.8505 -19.0174 -19.0174 -18.7779 -18.7779 9.5698 9.5698 14.1374 14.1374 16.6098 16.6897 16.8188 16.8188 18.4292 18.4292 18.4610 18.5725 20.6537 20.6537 26.1491 26.1796 26.1796 26.2142 k = 0.0000 0.0000 0.2917 ( 1082 PWs) bands (ev): -47.9237 -47.9237 -21.8538 -21.8538 -19.0248 -19.0248 -18.7768 -18.7768 9.6634 9.6634 14.0758 14.0758 16.6391 16.7224 16.8494 16.8494 18.3709 18.3709 18.3986 18.5129 20.6664 20.6664 26.1072 26.1354 26.1354 26.1706 k = 0.0000 0.0000 0.3008 ( 1076 PWs) bands (ev): -47.9227 -47.9227 -21.8570 -21.8570 -19.0321 -19.0321 -18.7757 -18.7757 9.7588 9.7588 14.0104 14.0104 16.6687 16.7553 16.8802 16.8802 18.3141 18.3141 18.3377 18.4546 20.6825 20.6825 26.0644 26.0904 26.0904 26.1261 k = 0.0000 0.0000 0.3099 ( 1076 PWs) bands (ev): -47.9217 -47.9217 -21.8603 -21.8603 -19.0393 -19.0393 -18.7746 -18.7746 9.8559 9.8559 13.9411 13.9411 16.6983 16.7882 16.9110 16.9110 18.2587 18.2587 18.2782 18.3976 20.7016 20.7016 26.0213 26.0448 26.0448 26.0810 k = 0.0000 0.0000 0.3191 ( 1076 PWs) bands (ev): -47.9207 -47.9207 -21.8635 -21.8635 -19.0462 -19.0462 -18.7736 -18.7736 9.9546 9.9546 13.8682 13.8682 16.7280 16.8212 16.9417 16.9417 18.2048 18.2048 18.2202 18.3422 20.7235 20.7235 25.9780 25.9990 25.9990 26.0357 k = 0.0000 0.0000 0.3282 ( 1076 PWs) bands (ev): -47.9198 -47.9198 -21.8666 -21.8666 -19.0529 -19.0529 -18.7726 -18.7726 10.0547 10.0547 13.7918 13.7918 16.7577 16.8542 16.9724 16.9724 18.1526 18.1526 18.1640 18.2883 20.7479 20.7479 25.9350 25.9533 25.9533 25.9904 k = 0.0000 0.0000 0.3373 ( 1076 PWs) bands (ev): -47.9189 -47.9189 -21.8697 -21.8697 -19.0594 -19.0594 -18.7716 -18.7716 10.1563 10.1563 13.7121 13.7121 16.7874 16.8871 17.0030 17.0030 18.1021 18.1021 18.1094 18.2359 20.7744 20.7744 25.8924 25.9081 25.9081 25.9454 k = 0.0000 0.0000 0.3464 ( 1076 PWs) bands (ev): -47.9180 -47.9180 -21.8726 -21.8726 -19.0656 -19.0656 -18.7707 -18.7706 10.2591 10.2591 13.6291 13.6291 16.8170 16.9197 17.0333 17.0333 18.0532 18.0532 18.0567 18.1851 20.8028 20.8028 25.8506 25.8636 25.8636 25.9012 k = 0.0000 0.0000 0.3555 ( 1070 PWs) bands (ev): -47.9172 -47.9172 -21.8754 -21.8754 -19.0714 -19.0714 -18.7697 -18.7697 10.3632 10.3632 13.5432 13.5432 16.8465 16.9520 17.0634 17.0634 18.0059 18.0062 18.0062 18.1361 20.8325 20.8325 25.8099 25.8201 25.8201 25.8579 k = 0.0000 0.0000 0.3646 ( 1058 PWs) bands (ev): -47.9164 -47.9164 -21.8780 -21.8780 -19.0769 -19.0769 -18.7688 -18.7688 10.4684 10.4684 13.4544 13.4544 16.8758 16.9839 17.0932 17.0932 17.9572 17.9609 17.9609 18.0888 20.8631 20.8631 25.7705 25.7780 25.7780 25.8159 k = 0.0000 0.0000 0.3738 ( 1064 PWs) bands (ev): -47.9157 -47.9157 -21.8806 -21.8806 -19.0823 -19.0823 -18.7680 -18.7680 10.5747 10.5747 13.3628 13.3628 16.9048 17.0153 17.1226 17.1226 17.9104 17.9172 17.9172 18.0429 20.8941 20.8941 25.7328 25.7375 25.7375 25.7753 k = 0.0000 0.0000 0.3829 ( 1064 PWs) bands (ev): -47.9149 -47.9149 -21.8831 -21.8831 -19.0872 -19.0872 -18.7672 -18.7672 10.6819 10.6819 13.2689 13.2689 16.9336 17.0460 17.1517 17.1517 17.8656 17.8752 17.8752 17.9987 20.9252 20.9252 25.6969 25.6988 25.6988 25.7365 k = 0.0000 0.0000 0.3920 ( 1076 PWs) bands (ev): -47.9143 -47.9143 -21.8854 -21.8854 -19.0919 -19.0919 -18.7666 -18.7666 10.7899 10.7899 13.1726 13.1726 16.9620 17.0757 17.1802 17.1802 17.8232 17.8348 17.8348 17.9562 20.9558 20.9558 25.6622 25.6622 25.6631 25.6997 k = 0.0000 0.0000 0.4011 ( 1076 PWs) bands (ev): -47.9137 -47.9137 -21.8875 -21.8875 -19.0961 -19.0961 -18.7660 -18.7660 10.8987 10.8987 13.0742 13.0742 16.9901 17.1044 17.2085 17.2085 17.7832 17.7962 17.7962 17.9153 20.9857 20.9857 25.6280 25.6280 25.6316 25.6652 k = 0.0000 0.0000 0.4102 ( 1082 PWs) bands (ev): -47.9132 -47.9132 -21.8895 -21.8895 -19.1000 -19.1000 -18.7655 -18.7655 11.0081 11.0081 12.9740 12.9740 17.0177 17.1317 17.2363 17.2363 17.7458 17.7590 17.7590 17.8761 21.0143 21.0143 25.5964 25.5964 25.6026 25.6331 k = 0.0000 0.0000 0.4193 ( 1082 PWs) bands (ev): -47.9126 -47.9126 -21.8913 -21.8913 -19.1034 -19.1034 -18.7649 -18.7649 11.1181 11.1181 12.8720 12.8720 17.0449 17.1574 17.2638 17.2638 17.7115 17.7234 17.7234 17.8386 21.0412 21.0412 25.5675 25.5675 25.5764 25.6037 k = 0.0000 0.0000 0.4285 ( 1082 PWs) bands (ev): -47.9122 -47.9122 -21.8929 -21.8929 -19.1065 -19.1065 -18.7645 -18.7644 11.2285 11.2285 12.7684 12.7684 17.0716 17.1810 17.2909 17.2909 17.6806 17.6892 17.6892 17.8029 21.0660 21.0660 25.5417 25.5417 25.5531 25.5771 k = 0.0000 0.0000 0.4376 ( 1082 PWs) bands (ev): -47.9118 -47.9118 -21.8942 -21.8942 -19.1092 -19.1092 -18.7640 -18.7640 11.3393 11.3393 12.6634 12.6634 17.0976 17.2016 17.3178 17.3178 17.6538 17.6563 17.6563 17.7689 21.0882 21.0882 25.5189 25.5189 25.5328 25.5535 k = 0.0000 0.0000 0.4467 ( 1082 PWs) bands (ev): -47.9115 -47.9115 -21.8954 -21.8954 -19.1115 -19.1115 -18.7637 -18.7637 11.4502 11.4502 12.5573 12.5573 17.1228 17.2187 17.3444 17.3444 17.6247 17.6247 17.6318 17.7370 21.1077 21.1077 25.4994 25.4994 25.5157 25.5330 k = 0.0000 0.0000 0.4558 ( 1082 PWs) bands (ev): -47.9112 -47.9112 -21.8964 -21.8964 -19.1134 -19.1134 -18.7634 -18.7634 11.5611 11.5611 12.4502 12.4502 17.1470 17.2311 17.3709 17.3709 17.5942 17.5942 17.6155 17.7072 21.1241 21.1241 25.4832 25.4832 25.5018 25.5157 k = 0.0000 0.0000 0.4649 ( 1082 PWs) bands (ev): -47.9110 -47.9110 -21.8971 -21.8971 -19.1149 -19.1149 -18.7631 -18.7631 11.6717 11.6717 12.3425 12.3425 17.1697 17.2381 17.3971 17.3971 17.5649 17.5649 17.6057 17.6798 21.1370 21.1370 25.4706 25.4706 25.4914 25.5018 k = 0.0000 0.0000 0.4740 ( 1082 PWs) bands (ev): -47.9108 -47.9108 -21.8977 -21.8977 -19.1159 -19.1159 -18.7630 -18.7630 11.7814 11.7814 12.2349 12.2349 17.1906 17.2391 17.4232 17.4232 17.5366 17.5366 17.6031 17.6554 21.1465 21.1465 25.4615 25.4615 25.4843 25.4913 k = 0.0000 0.0000 0.4832 ( 1082 PWs) bands (ev): -47.9107 -47.9107 -21.8980 -21.8980 -19.1166 -19.1166 -18.7629 -18.7629 11.8878 11.8878 12.1298 12.1298 17.2088 17.2341 17.4483 17.4483 17.5102 17.5102 17.6075 17.6346 21.1522 21.1522 25.4560 25.4560 25.4808 25.4843 k = 0.0000 0.0000 0.4923 ( 1082 PWs) bands (ev): -47.9107 -47.9107 -21.8981 -21.8981 -19.1168 -19.1168 -18.7628 -18.7628 11.9603 11.9603 12.0577 12.0577 17.2237 17.2237 17.4645 17.4645 17.4936 17.4936 17.6183 17.6183 21.1541 21.1541 25.4542 25.4542 25.4808 25.4808 k = 0.0000 0.0000 0.4923 ( 1082 PWs) bands (ev): -47.9107 -47.9107 -21.8981 -21.8981 -19.1168 -19.1168 -18.7628 -18.7628 11.9603 11.9603 12.0577 12.0577 17.2237 17.2237 17.4645 17.4645 17.4936 17.4936 17.6183 17.6183 21.1541 21.1541 25.4542 25.4542 25.4808 25.4808 k = 0.0078 0.0045 0.4923 ( 1082 PWs) bands (ev): -47.9107 -47.9107 -21.8982 -21.8982 -19.1168 -19.1168 -18.7631 -18.7631 11.9596 11.9596 12.0597 12.0597 17.2236 17.2236 17.4644 17.4644 17.4927 17.4927 17.6175 17.6175 21.1549 21.1549 25.4550 25.4550 25.4818 25.4818 k = 0.0156 0.0090 0.4923 ( 1082 PWs) bands (ev): -47.9105 -47.9105 -21.8985 -21.8985 -19.1170 -19.1170 -18.7639 -18.7639 11.9573 11.9573 12.0656 12.0656 17.2231 17.2231 17.4644 17.4644 17.4902 17.4902 17.6151 17.6151 21.1573 21.1573 25.4562 25.4562 25.4858 25.4858 k = 0.0234 0.0135 0.4923 ( 1078 PWs) bands (ev): -47.9103 -47.9103 -21.8989 -21.8989 -19.1173 -19.1173 -18.7652 -18.7652 11.9537 11.9537 12.0753 12.0753 17.2219 17.2219 17.4647 17.4647 17.4860 17.4860 17.6114 17.6114 21.1614 21.1614 25.4559 25.4559 25.4950 25.4950 k = 0.0312 0.0180 0.4923 ( 1078 PWs) bands (ev): -47.9099 -47.9099 -21.8996 -21.8996 -19.1177 -19.1177 -18.7670 -18.7670 11.9487 11.9487 12.0889 12.0889 17.2193 17.2193 17.4658 17.4658 17.4798 17.4798 17.6066 17.6066 21.1670 21.1670 25.4531 25.4531 25.5101 25.5101 k = 0.0391 0.0226 0.4923 ( 1070 PWs) bands (ev): -47.9094 -47.9094 -21.9004 -21.9004 -19.1181 -19.1181 -18.7693 -18.7693 11.9424 11.9424 12.1062 12.1062 17.2147 17.2147 17.4672 17.4672 17.4727 17.4727 17.6014 17.6014 21.1741 21.1741 25.4483 25.4483 25.5309 25.5309 k = 0.0469 0.0271 0.4923 ( 1066 PWs) bands (ev): -47.9089 -47.9089 -21.9014 -21.9014 -19.1187 -19.1187 -18.7721 -18.7721 11.9347 11.9347 12.1273 12.1273 17.2073 17.2073 17.4587 17.4587 17.4752 17.4752 17.5962 17.5962 21.1827 21.1827 25.4419 25.4419 25.5567 25.5567 k = 0.0547 0.0316 0.4923 ( 1066 PWs) bands (ev): -47.9082 -47.9082 -21.9026 -21.9026 -19.1195 -19.1195 -18.7754 -18.7754 11.9258 11.9258 12.1519 12.1519 17.1964 17.1964 17.4446 17.4446 17.4828 17.4828 17.5920 17.5920 21.1926 21.1926 25.4343 25.4343 25.5873 25.5873 k = 0.0625 0.0361 0.4923 ( 1062 PWs) bands (ev): -47.9075 -47.9075 -21.9040 -21.9040 -19.1203 -19.1203 -18.7791 -18.7791 11.9156 11.9156 12.1800 12.1800 17.1818 17.1818 17.4273 17.4273 17.4929 17.4929 17.5898 17.5898 21.2038 21.2038 25.4258 25.4258 25.6224 25.6224 k = 0.0703 0.0406 0.4923 ( 1062 PWs) bands (ev): -47.9067 -47.9067 -21.9056 -21.9056 -19.1213 -19.1213 -18.7834 -18.7834 11.9042 11.9042 12.2116 12.2116 17.1636 17.1636 17.4068 17.4068 17.5036 17.5036 17.5915 17.5915 21.2162 21.2162 25.4167 25.4167 25.6619 25.6619 k = 0.0781 0.0451 0.4923 ( 1062 PWs) bands (ev): -47.9058 -47.9058 -21.9074 -21.9074 -19.1224 -19.1224 -18.7881 -18.7881 11.8917 11.8917 12.2465 12.2465 17.1419 17.1419 17.3832 17.3832 17.5126 17.5126 17.5996 17.5996 21.2297 21.2297 25.4071 25.4071 25.7054 25.7054 k = 0.0859 0.0496 0.4923 ( 1062 PWs) bands (ev): -47.9047 -47.9047 -21.9094 -21.9094 -19.1237 -19.1237 -18.7932 -18.7932 11.8780 11.8780 12.2847 12.2847 17.1172 17.1172 17.3568 17.3568 17.5173 17.5173 17.6164 17.6164 21.2443 21.2443 25.3972 25.3972 25.7529 25.7529 k = 0.0938 0.0541 0.4923 ( 1062 PWs) bands (ev): -47.9036 -47.9036 -21.9115 -21.9115 -19.1250 -19.1250 -18.7987 -18.7987 11.8632 11.8632 12.3260 12.3260 17.0900 17.0900 17.3276 17.3276 17.5179 17.5179 17.6414 17.6414 21.2597 21.2597 25.3873 25.3873 25.8041 25.8041 k = 0.1016 0.0586 0.4923 ( 1062 PWs) bands (ev): -47.9025 -47.9025 -21.9138 -21.9138 -19.1266 -19.1266 -18.8046 -18.8046 11.8473 11.8473 12.3701 12.3701 17.0607 17.0607 17.2960 17.2960 17.5154 17.5154 17.6732 17.6732 21.2760 21.2760 25.3776 25.3776 25.8588 25.8588 k = 0.1094 0.0631 0.4923 ( 1068 PWs) bands (ev): -47.9012 -47.9012 -21.9163 -21.9163 -19.1282 -19.1282 -18.8108 -18.8108 11.8305 11.8305 12.4171 12.4171 17.0300 17.0300 17.2622 17.2622 17.5109 17.5109 17.7104 17.7104 21.2930 21.2930 25.3683 25.3683 25.9167 25.9167 k = 0.1172 0.0677 0.4923 ( 1068 PWs) bands (ev): -47.8999 -47.8999 -21.9190 -21.9190 -19.1300 -19.1300 -18.8173 -18.8173 11.8127 11.8127 12.4666 12.4666 16.9983 16.9983 17.2264 17.2264 17.5052 17.5052 17.7521 17.7521 21.3107 21.3107 25.3597 25.3597 25.9778 25.9778 k = 0.1250 0.0722 0.4923 ( 1072 PWs) bands (ev): -47.8985 -47.8985 -21.9218 -21.9218 -19.1320 -19.1320 -18.8242 -18.8242 11.7940 11.7940 12.5184 12.5184 16.9661 16.9661 17.1889 17.1889 17.4984 17.4984 17.7978 17.7978 21.3289 21.3289 25.3518 25.3518 26.0417 26.0417 k = 0.1328 0.0767 0.4923 ( 1072 PWs) bands (ev): -47.8970 -47.8970 -21.9248 -21.9248 -19.1340 -19.1340 -18.8312 -18.8312 11.7745 11.7745 12.5723 12.5723 16.9338 16.9338 17.1499 17.1499 17.4907 17.4907 17.8471 17.8471 21.3475 21.3475 25.3451 25.3451 26.1082 26.1082 k = 0.1406 0.0812 0.4923 ( 1072 PWs) bands (ev): -47.8954 -47.8954 -21.9279 -21.9279 -19.1363 -19.1363 -18.8385 -18.8385 11.7542 11.7542 12.6281 12.6281 16.9020 16.9020 17.1095 17.1095 17.4823 17.4823 17.8997 17.8997 21.3665 21.3665 25.3396 25.3396 26.1771 26.1771 k = 0.1484 0.0857 0.4923 ( 1068 PWs) bands (ev): -47.8938 -47.8938 -21.9312 -21.9312 -19.1387 -19.1387 -18.8460 -18.8460 11.7332 11.7332 12.6855 12.6855 16.8712 16.8712 17.0681 17.0681 17.4730 17.4730 17.9556 17.9556 21.3859 21.3859 25.3357 25.3357 26.2482 26.2482 k = 0.1562 0.0902 0.4923 ( 1060 PWs) bands (ev): -47.8921 -47.8921 -21.9345 -21.9345 -19.1412 -19.1412 -18.8535 -18.8535 11.7116 11.7116 12.7440 12.7440 16.8419 16.8419 17.0258 17.0258 17.4629 17.4629 18.0145 18.0145 21.4054 21.4054 25.3333 25.3333 26.3213 26.3213 k = 0.1641 0.0947 0.4923 ( 1060 PWs) bands (ev): -47.8904 -47.8904 -21.9381 -21.9381 -19.1439 -19.1439 -18.8613 -18.8613 11.6893 11.6893 12.8034 12.8034 16.8142 16.8142 16.9829 16.9829 17.4520 17.4520 18.0762 18.0762 21.4251 21.4251 25.3327 25.3327 26.3960 26.3960 k = 0.1719 0.0992 0.4923 ( 1060 PWs) bands (ev): -47.8886 -47.8886 -21.9417 -21.9417 -19.1469 -19.1469 -18.8691 -18.8691 11.6665 11.6665 12.8633 12.8633 16.7888 16.7888 16.9395 16.9395 17.4404 17.4404 18.1407 18.1407 21.4448 21.4448 25.3340 25.3340 26.4723 26.4723 k = 0.1797 0.1037 0.4923 ( 1060 PWs) bands (ev): -47.8867 -47.8867 -21.9455 -21.9455 -19.1500 -19.1500 -18.8770 -18.8770 11.6433 11.6433 12.9233 12.9233 16.7659 16.7659 16.8962 16.8962 17.4279 17.4279 18.2078 18.2078 21.4645 21.4645 25.3375 25.3375 26.5498 26.5498 k = 0.1875 0.1083 0.4923 ( 1060 PWs) bands (ev): -47.8849 -47.8849 -21.9495 -21.9495 -19.1533 -19.1533 -18.8849 -18.8849 11.6196 11.6196 12.9830 12.9830 16.7455 16.7455 16.8537 16.8537 17.4147 17.4147 18.2774 18.2774 21.4841 21.4841 25.3431 25.3431 26.6283 26.6283 k = 0.1953 0.1128 0.4923 ( 1064 PWs) bands (ev): -47.8830 -47.8830 -21.9535 -21.9535 -19.1569 -19.1569 -18.8927 -18.8927 11.5956 11.5956 13.0418 13.0418 16.7267 16.7267 16.8133 16.8133 17.4007 17.4007 18.3494 18.3494 21.5035 21.5035 25.3510 25.3510 26.7077 26.7077 k = 0.2031 0.1173 0.4923 ( 1064 PWs) bands (ev): -47.8810 -47.8810 -21.9577 -21.9577 -19.1606 -19.1606 -18.9005 -18.9005 11.5713 11.5713 13.0994 13.0994 16.7065 16.7065 16.7790 16.7790 17.3861 17.3861 18.4237 18.4237 21.5227 21.5227 25.3614 25.3614 26.7876 26.7876 k = 0.2109 0.1218 0.4923 ( 1064 PWs) bands (ev): -47.8790 -47.8790 -21.9619 -21.9619 -19.1646 -19.1646 -18.9082 -18.9082 11.5468 11.5468 13.1552 13.1552 16.6793 16.6793 16.7570 16.7570 17.3707 17.3707 18.5001 18.5001 21.5416 21.5416 25.3743 25.3743 26.8680 26.8680 k = 0.2188 0.1263 0.4923 ( 1068 PWs) bands (ev): -47.8770 -47.8770 -21.9662 -21.9662 -19.1688 -19.1688 -18.9157 -18.9157 11.5222 11.5222 13.2088 13.2088 16.6433 16.6433 16.7495 16.7495 17.3548 17.3548 18.5786 18.5786 21.5602 21.5602 25.3896 25.3896 26.9485 26.9485 k = 0.2266 0.1308 0.4923 ( 1068 PWs) bands (ev): -47.8750 -47.8750 -21.9706 -21.9706 -19.1732 -19.1732 -18.9231 -18.9231 11.4974 11.4974 13.2597 13.2597 16.6026 16.6026 16.7532 16.7532 17.3384 17.3384 18.6590 18.6590 21.5783 21.5783 25.4076 25.4076 27.0291 27.0291 k = 0.2344 0.1353 0.4923 ( 1068 PWs) bands (ev): -47.8729 -47.8729 -21.9750 -21.9750 -19.1778 -19.1778 -18.9302 -18.9302 11.4726 11.4726 13.3074 13.3074 16.5599 16.5599 16.7658 16.7658 17.3215 17.3215 18.7412 18.7412 21.5959 21.5959 25.4282 25.4282 27.1094 27.1094 k = 0.2422 0.1398 0.4923 ( 1064 PWs) bands (ev): -47.8709 -47.8709 -21.9795 -21.9795 -19.1827 -19.1827 -18.9371 -18.9371 11.4479 11.4479 13.3517 13.3517 16.5167 16.5167 16.7863 16.7863 17.3043 17.3043 18.8251 18.8251 21.6129 21.6129 25.4514 25.4514 27.1894 27.1894 k = 0.2500 0.1443 0.4923 ( 1068 PWs) bands (ev): -47.8688 -47.8688 -21.9841 -21.9841 -19.1878 -19.1878 -18.9439 -18.9439 11.4232 11.4232 13.3921 13.3921 16.4735 16.4735 16.8144 16.8144 17.2870 17.2870 18.9104 18.9104 21.6292 21.6292 25.4772 25.4772 27.2687 27.2687 k = 0.2578 0.1488 0.4923 ( 1068 PWs) bands (ev): -47.8668 -47.8668 -21.9886 -21.9886 -19.1930 -19.1930 -18.9503 -18.9503 11.3987 11.3987 13.4284 13.4284 16.4305 16.4305 16.8499 16.8499 17.2699 17.2699 18.9970 18.9970 21.6448 21.6448 25.5056 25.5056 27.3473 27.3473 k = 0.2656 0.1534 0.4923 ( 1066 PWs) bands (ev): -47.8647 -47.8647 -21.9932 -21.9932 -19.1985 -19.1985 -18.9564 -18.9564 11.3743 11.3743 13.4604 13.4604 16.3880 16.3880 16.8925 16.8925 17.2536 17.2536 19.0847 19.0847 21.6596 21.6596 25.5366 25.5366 27.4250 27.4250 k = 0.2734 0.1579 0.4923 ( 1066 PWs) bands (ev): -47.8626 -47.8626 -21.9978 -21.9978 -19.2041 -19.2041 -18.9622 -18.9622 11.3502 11.3502 13.4881 13.4881 16.3461 16.3461 16.9410 16.9410 17.2390 17.2390 19.1735 19.1735 21.6734 21.6734 25.5700 25.5700 27.5015 27.5015 k = 0.2812 0.1624 0.4923 ( 1066 PWs) bands (ev): -47.8606 -47.8606 -22.0024 -22.0024 -19.2099 -19.2099 -18.9678 -18.9678 11.3264 11.3264 13.5114 13.5114 16.3049 16.3049 16.9930 16.9930 17.2285 17.2285 19.2630 19.2630 21.6863 21.6863 25.6059 25.6059 27.5768 27.5768 k = 0.2891 0.1669 0.4923 ( 1068 PWs) bands (ev): -47.8586 -47.8586 -22.0070 -22.0070 -19.2158 -19.2158 -18.9730 -18.9730 11.3030 11.3030 13.5304 13.5304 16.2646 16.2646 17.0426 17.0426 17.2281 17.2281 19.3532 19.3532 21.6980 21.6980 25.6442 25.6442 27.6507 27.6507 k = 0.2969 0.1714 0.4923 ( 1068 PWs) bands (ev): -47.8566 -47.8566 -22.0116 -22.0116 -19.2219 -19.2219 -18.9780 -18.9780 11.2799 11.2799 13.5453 13.5453 16.2253 16.2253 17.0770 17.0770 17.2501 17.2501 19.4437 19.4437 21.7086 21.7086 25.6847 25.6847 27.7231 27.7231 k = 0.3047 0.1759 0.4923 ( 1066 PWs) bands (ev): -47.8546 -47.8546 -22.0161 -22.0161 -19.2280 -19.2280 -18.9826 -18.9826 11.2574 11.2574 13.5564 13.5564 16.1869 16.1869 17.0876 17.0876 17.3030 17.3030 19.5344 19.5344 21.7178 21.7178 25.7273 25.7273 27.7937 27.7937 k = 0.3125 0.1804 0.4923 ( 1070 PWs) bands (ev): -47.8527 -47.8527 -22.0206 -22.0206 -19.2342 -19.2342 -18.9869 -18.9869 11.2353 11.2353 13.5639 13.5639 16.1496 16.1496 17.0821 17.0821 17.3786 17.3786 19.6251 19.6251 21.7256 21.7256 25.7719 25.7719 27.8625 27.8625 k = 0.3203 0.1849 0.4923 ( 1066 PWs) bands (ev): -47.8508 -47.8508 -22.0250 -22.0250 -19.2403 -19.2403 -18.9909 -18.9909 11.2137 11.2137 13.5681 13.5681 16.1134 16.1134 17.0695 17.0695 17.4676 17.4676 19.7155 19.7155 21.7320 21.7320 25.8184 25.8184 27.9293 27.9293 k = 0.3281 0.1894 0.4923 ( 1068 PWs) bands (ev): -47.8490 -47.8490 -22.0293 -22.0293 -19.2465 -19.2465 -18.9947 -18.9947 11.1927 11.1927 13.5693 13.5693 16.0784 16.0784 17.0538 17.0538 17.5655 17.5655 19.8053 19.8053 21.7367 21.7367 25.8666 25.8666 27.9940 27.9940 k = 0.3359 0.1940 0.4923 ( 1068 PWs) bands (ev): -47.8472 -47.8472 -22.0336 -22.0336 -19.2527 -19.2527 -18.9982 -18.9982 11.1724 11.1724 13.5680 13.5680 16.0446 16.0446 17.0367 17.0367 17.6700 17.6700 19.8944 19.8944 21.7397 21.7397 25.9164 25.9164 28.0566 28.0566 k = 0.3438 0.1985 0.4923 ( 1068 PWs) bands (ev): -47.8454 -47.8454 -22.0377 -22.0377 -19.2588 -19.2588 -19.0014 -19.0014 11.1527 11.1527 13.5645 13.5645 16.0121 16.0121 17.0190 17.0190 17.7797 17.7797 19.9823 19.9823 21.7408 21.7408 25.9675 25.9675 28.1168 28.1168 k = 0.3516 0.2030 0.4923 ( 1072 PWs) bands (ev): -47.8437 -47.8437 -22.0418 -22.0418 -19.2648 -19.2648 -19.0044 -19.0044 11.1338 11.1338 13.5591 13.5591 15.9810 15.9810 17.0012 17.0012 17.8938 17.8938 20.0688 20.0688 21.7400 21.7400 26.0196 26.0196 28.1746 28.1746 k = 0.3594 0.2075 0.4923 ( 1072 PWs) bands (ev): -47.8421 -47.8421 -22.0457 -22.0457 -19.2707 -19.2707 -19.0072 -19.0072 11.1156 11.1156 13.5522 13.5522 15.9512 15.9512 16.9836 16.9836 18.0113 18.0113 20.1537 20.1537 21.7370 21.7370 26.0727 26.0727 28.2300 28.2300 k = 0.3672 0.2120 0.4923 ( 1072 PWs) bands (ev): -47.8405 -47.8405 -22.0495 -22.0495 -19.2764 -19.2764 -19.0097 -19.0097 11.0982 11.0982 13.5440 13.5440 15.9228 15.9228 16.9663 16.9663 18.1314 18.1314 20.2367 20.2367 21.7320 21.7320 26.1264 26.1264 28.2827 28.2827 k = 0.3750 0.2165 0.4923 ( 1072 PWs) bands (ev): -47.8390 -47.8390 -22.0531 -22.0531 -19.2819 -19.2819 -19.0120 -19.0120 11.0815 11.0815 13.5349 13.5349 15.8959 15.8959 16.9495 16.9495 18.2534 18.2534 20.3173 20.3173 21.7246 21.7246 26.1805 26.1805 28.3329 28.3329 k = 0.3828 0.2210 0.4923 ( 1072 PWs) bands (ev): -47.8376 -47.8376 -22.0566 -22.0566 -19.2872 -19.2872 -19.0141 -19.0141 11.0658 11.0658 13.5252 13.5252 15.8704 15.8704 16.9332 16.9332 18.3765 18.3765 20.3953 20.3953 21.7149 21.7149 26.2346 26.2346 28.3802 28.3802 k = 0.3906 0.2255 0.4923 ( 1064 PWs) bands (ev): -47.8362 -47.8362 -22.0599 -22.0599 -19.2923 -19.2923 -19.0160 -19.0160 11.0509 11.0509 13.5150 13.5150 15.8465 15.8465 16.9176 16.9176 18.4999 18.4999 20.4706 20.4706 21.7029 21.7029 26.2884 26.2884 28.4248 28.4248 k = 0.3984 0.2300 0.4923 ( 1064 PWs) bands (ev): -47.8349 -47.8349 -22.0630 -22.0630 -19.2971 -19.2971 -19.0178 -19.0178 11.0369 11.0369 13.5047 13.5047 15.8241 15.8241 16.9028 16.9028 18.6228 18.6228 20.5423 20.5423 21.6885 21.6885 26.3415 26.3415 28.4665 28.4665 k = 0.4062 0.2345 0.4923 ( 1068 PWs) bands (ev): -47.8338 -47.8338 -22.0660 -22.0660 -19.3017 -19.3017 -19.0194 -19.0194 11.0239 11.0239 13.4943 13.4943 15.8032 15.8032 16.8888 16.8888 18.7443 18.7443 20.6104 20.6104 21.6717 21.6717 26.3935 26.3935 28.5053 28.5053 k = 0.4141 0.2391 0.4923 ( 1074 PWs) bands (ev): -47.8326 -47.8326 -22.0688 -22.0688 -19.3060 -19.3060 -19.0208 -19.0208 11.0118 11.0118 13.4842 13.4842 15.7839 15.7839 16.8757 16.8757 18.8635 18.8635 20.6745 20.6745 21.6526 21.6526 26.4440 26.4440 28.5410 28.5410 k = 0.4219 0.2436 0.4923 ( 1078 PWs) bands (ev): -47.8316 -47.8316 -22.0713 -22.0713 -19.3100 -19.3100 -19.0221 -19.0221 11.0006 11.0006 13.4744 13.4744 15.7663 15.7663 16.8636 16.8636 18.9793 18.9793 20.7343 20.7343 21.6315 21.6315 26.4925 26.4925 28.5737 28.5737 k = 0.4297 0.2481 0.4923 ( 1078 PWs) bands (ev): -47.8307 -47.8307 -22.0736 -22.0736 -19.3136 -19.3136 -19.0233 -19.0233 10.9905 10.9905 13.4652 13.4652 15.7503 15.7503 16.8525 16.8525 19.0909 19.0909 20.7895 20.7895 21.6088 21.6088 26.5387 26.5387 28.6033 28.6033 k = 0.4375 0.2526 0.4923 ( 1078 PWs) bands (ev): -47.8299 -47.8299 -22.0757 -22.0757 -19.3169 -19.3169 -19.0242 -19.0242 10.9814 10.9814 13.4566 13.4566 15.7359 15.7359 16.8424 16.8424 19.1968 19.1968 20.8397 20.8397 21.5847 21.5847 26.5819 26.5819 28.6298 28.6298 k = 0.4453 0.2571 0.4923 ( 1078 PWs) bands (ev): -47.8291 -47.8291 -22.0776 -22.0776 -19.3198 -19.3198 -19.0251 -19.0251 10.9733 10.9733 13.4488 13.4488 15.7231 15.7231 16.8334 16.8334 19.2959 19.2959 20.8847 20.8847 21.5600 21.5600 26.6216 26.6216 28.6530 28.6530 k = 0.4531 0.2616 0.4923 ( 1074 PWs) bands (ev): -47.8284 -47.8284 -22.0792 -22.0792 -19.3223 -19.3223 -19.0259 -19.0259 10.9663 10.9663 13.4419 13.4419 15.7121 15.7121 16.8256 16.8256 19.3867 19.3867 20.9241 20.9241 21.5354 21.5354 26.6574 26.6574 28.6729 28.6729 k = 0.4609 0.2661 0.4923 ( 1070 PWs) bands (ev): -47.8279 -47.8279 -22.0805 -22.0805 -19.3244 -19.3244 -19.0264 -19.0264 10.9603 10.9603 13.4359 13.4359 15.7027 15.7027 16.8189 16.8189 19.4676 19.4676 20.9579 20.9579 21.5117 21.5117 26.6888 26.6888 28.6895 28.6895 k = 0.4688 0.2706 0.4923 ( 1074 PWs) bands (ev): -47.8274 -47.8274 -22.0817 -22.0817 -19.3263 -19.3263 -19.0270 -19.0270 10.9554 10.9554 13.4308 13.4308 15.6950 15.6950 16.8134 16.8134 19.5371 19.5371 20.9856 20.9856 21.4900 21.4900 26.7151 26.7151 28.7027 28.7027 k = 0.4766 0.2751 0.4923 ( 1072 PWs) bands (ev): -47.8271 -47.8271 -22.0826 -22.0826 -19.3276 -19.3276 -19.0273 -19.0273 10.9516 10.9516 13.4269 13.4269 15.6890 15.6890 16.8091 16.8091 19.5934 19.5934 21.0072 21.0072 21.4715 21.4715 26.7361 26.7361 28.7125 28.7125 k = 0.4844 0.2797 0.4923 ( 1068 PWs) bands (ev): -47.8268 -47.8268 -22.0832 -22.0832 -19.3286 -19.3286 -19.0276 -19.0276 10.9489 10.9489 13.4240 13.4240 15.6848 15.6848 16.8060 16.8060 19.6350 19.6350 21.0226 21.0226 21.4574 21.4574 26.7514 26.7514 28.7192 28.7192 k = 0.4922 0.2842 0.4923 ( 1068 PWs) bands (ev): -47.8267 -47.8267 -22.0836 -22.0836 -19.3292 -19.3292 -19.0278 -19.0278 10.9472 10.9472 13.4223 13.4223 15.6822 15.6822 16.8041 16.8041 19.6605 19.6605 21.0319 21.0319 21.4484 21.4484 26.7607 26.7607 28.7229 28.7229 k = 0.5000 0.2887 0.4923 ( 1068 PWs) bands (ev): -47.8266 -47.8266 -22.0837 -22.0837 -19.3294 -19.3294 -19.0278 -19.0278 10.9467 10.9467 13.4217 13.4217 15.6814 15.6814 16.8035 16.8035 19.6691 19.6691 21.0349 21.0349 21.4454 21.4454 26.7638 26.7638 28.7241 28.7241 k = 0.5000 0.2887 0.4923 ( 1068 PWs) bands (ev): -47.8266 -47.8266 -22.0837 -22.0837 -19.3294 -19.3294 -19.0278 -19.0278 10.9467 10.9467 13.4217 13.4217 15.6814 15.6814 16.8035 16.8035 19.6691 19.6691 21.0349 21.0349 21.4454 21.4454 26.7638 26.7638 28.7241 28.7241 k = 0.4955 0.2965 0.4923 ( 1068 PWs) bands (ev): -47.8266 -47.8266 -22.0842 -22.0832 -19.3297 -19.3290 -19.0284 -19.0277 10.9474 10.9478 13.4228 13.4244 15.6675 15.6699 16.8148 16.8167 19.6494 19.6646 21.0456 21.0469 21.4398 21.4554 26.7590 26.7658 28.7140 28.7215 k = 0.4910 0.3043 0.4923 ( 1072 PWs) bands (ev): -47.8266 -47.8266 -22.0848 -22.0828 -19.3297 -19.3284 -19.0294 -19.0281 10.9500 10.9507 13.4276 13.4307 15.6299 15.6346 16.8492 16.8527 19.6075 19.6364 21.0778 21.0786 21.4385 21.4715 26.7513 26.7651 28.6913 28.7068 k = 0.4865 0.3121 0.4923 ( 1072 PWs) bands (ev): -47.8265 -47.8265 -22.0854 -22.0824 -19.3296 -19.3277 -19.0308 -19.0289 10.9544 10.9555 13.4360 13.4408 15.5726 15.5792 16.9028 16.9075 19.5474 19.5877 21.1207 21.1297 21.4426 21.4968 26.7410 26.7615 28.6575 28.6812 k = 0.4820 0.3199 0.4923 ( 1068 PWs) bands (ev): -47.8263 -47.8263 -22.0860 -22.0820 -19.3293 -19.3267 -19.0326 -19.0301 10.9607 10.9621 13.4481 13.4545 15.5004 15.5084 16.9710 16.9765 19.4733 19.5226 21.1667 21.1905 21.4562 21.5358 26.7279 26.7551 28.6145 28.6466 k = 0.4775 0.3277 0.4923 ( 1068 PWs) bands (ev): -47.8262 -47.8262 -22.0867 -22.0817 -19.3288 -19.3256 -19.0348 -19.0317 10.9687 10.9705 13.4638 13.4717 15.4171 15.4264 17.0496 17.0556 19.3893 19.4455 21.2073 21.2480 21.4881 21.5931 26.7121 26.7459 28.5643 28.6046 k = 0.4730 0.3355 0.4923 ( 1072 PWs) bands (ev): -47.8260 -47.8260 -22.0874 -22.0814 -19.3281 -19.3243 -19.0375 -19.0338 10.9786 10.9808 13.4830 13.4925 15.3260 15.3363 17.1352 17.1416 19.2985 19.3598 21.2378 21.2885 21.5485 21.6702 26.6938 26.7340 28.5092 28.5573 k = 0.4685 0.3433 0.4923 ( 1076 PWs) bands (ev): -47.8258 -47.8258 -22.0881 -22.0812 -19.3273 -19.3228 -19.0407 -19.0364 10.9903 10.9929 13.5056 13.5166 15.2294 15.2406 17.2255 17.2321 19.2032 19.2683 21.2579 21.3092 21.6372 21.7649 26.6730 26.7194 28.4511 28.5063 k = 0.4640 0.3511 0.4923 ( 1076 PWs) bands (ev): -47.8256 -47.8256 -22.0889 -22.0810 -19.3263 -19.3211 -19.0441 -19.0393 11.0037 11.0067 13.5315 13.5441 15.1290 15.1410 17.3187 17.3253 19.1053 19.1734 21.2700 21.3173 21.7452 21.8734 26.6498 26.7023 28.3915 28.4533 k = 0.4595 0.3589 0.4923 ( 1070 PWs) bands (ev): -47.8253 -47.8253 -22.0895 -22.0807 -19.3251 -19.3192 -19.0479 -19.0425 11.0190 11.0224 13.5606 13.5746 15.0261 15.0388 17.4135 17.4200 19.0063 19.0765 21.2764 21.3186 21.8652 21.9919 26.6245 26.6826 28.3317 28.3994 k = 0.4550 0.3667 0.4923 ( 1070 PWs) bands (ev): -47.8250 -47.8250 -22.0903 -22.0806 -19.3237 -19.3172 -19.0520 -19.0462 11.0360 11.0399 13.5926 13.6082 14.9214 14.9349 17.5088 17.5153 18.9070 18.9788 21.2786 21.3160 21.9927 22.1177 26.5972 26.6607 28.2725 28.3456 k = 0.4505 0.3745 0.4923 ( 1070 PWs) bands (ev): -47.8247 -47.8247 -22.0911 -22.0805 -19.3222 -19.3150 -19.0565 -19.0502 11.0548 11.0591 13.6275 13.6445 14.8157 14.8300 17.6039 17.6102 18.8084 18.8813 21.2779 21.3111 22.1255 22.2490 26.5680 26.6366 28.2148 28.2927 k = 0.4459 0.3823 0.4923 ( 1074 PWs) bands (ev): -47.8244 -47.8244 -22.0920 -22.0805 -19.3206 -19.3127 -19.0613 -19.0547 11.0752 11.0800 13.6651 13.6833 14.7095 14.7248 17.6980 17.7040 18.7111 18.7847 21.2750 21.3044 22.2622 22.3843 26.5374 26.6106 28.1589 28.2412 k = 0.4414 0.3901 0.4923 ( 1078 PWs) bands (ev): -47.8240 -47.8240 -22.0929 -22.0805 -19.3188 -19.3102 -19.0664 -19.0594 11.0974 11.1026 13.7050 13.7245 14.6033 14.6196 17.7906 17.7963 18.6158 18.6898 21.2703 21.2965 22.4019 22.5227 26.5055 26.5830 28.1054 28.1915 k = 0.4369 0.3979 0.4923 ( 1074 PWs) bands (ev): -47.8236 -47.8236 -22.0937 -22.0805 -19.3168 -19.3075 -19.0717 -19.0643 11.1212 11.1270 13.7472 13.7677 14.4974 14.5150 17.8810 17.8861 18.5233 18.5974 21.2642 21.2875 22.5439 22.6636 26.4727 26.5540 28.0544 28.1438 k = 0.4324 0.4057 0.4923 ( 1074 PWs) bands (ev): -47.8232 -47.8232 -22.0946 -22.0805 -19.3147 -19.3047 -19.0773 -19.0696 11.1467 11.1530 13.7913 13.8124 14.3922 14.4113 17.9685 17.9725 18.4347 18.5081 21.2568 21.2777 22.6877 22.8063 26.4394 26.5241 28.0060 28.0982 k = 0.4279 0.4135 0.4923 ( 1074 PWs) bands (ev): -47.8228 -47.8228 -22.0955 -22.0806 -19.3125 -19.3017 -19.0830 -19.0751 11.1737 11.1806 13.8370 13.8580 14.2878 14.3092 18.0513 18.0528 18.3527 18.4238 21.2484 21.2671 22.8327 22.9504 26.4058 26.4935 27.9602 28.0549 k = 0.4234 0.4213 0.4923 ( 1074 PWs) bands (ev): -47.8224 -47.8224 -22.0964 -22.0807 -19.3102 -19.2985 -19.0890 -19.0809 11.2023 11.2098 13.8839 13.9033 14.1845 14.2099 18.1159 18.1246 18.2881 18.3493 21.2392 21.2559 22.9786 23.0954 26.3723 26.4627 27.9170 28.0138 k = 0.4189 0.4291 0.4923 ( 1070 PWs) bands (ev): -47.8219 -47.8219 -22.0973 -22.0809 -19.3077 -19.2952 -19.0951 -19.0869 11.2323 11.2406 13.9318 13.9436 14.0827 14.1180 18.1199 18.1647 18.2832 18.3084 21.2291 21.2440 23.1250 23.2409 26.3393 26.4320 27.8764 27.9750 k = 0.4144 0.4369 0.4923 ( 1070 PWs) bands (ev): -47.8215 -47.8215 -22.0982 -22.0811 -19.3051 -19.2918 -19.1013 -19.0931 11.2638 11.2728 13.9506 13.9750 13.9877 14.0615 18.0649 18.1328 18.3379 18.3400 21.2184 21.2316 23.2716 23.3865 26.3071 26.4017 27.8382 27.9382 k = 0.4099 0.4447 0.4923 ( 1074 PWs) bands (ev): -47.8211 -47.8211 -22.0991 -22.0813 -19.3024 -19.2882 -19.1076 -19.0994 11.2966 11.3063 13.8830 13.8840 14.0298 14.0806 17.9975 18.0703 18.4026 18.4053 21.2070 21.2186 23.4178 23.5318 26.2760 26.3723 27.8022 27.9034 k = 0.4054 0.4525 0.4923 ( 1074 PWs) bands (ev): -47.8206 -47.8206 -22.1000 -22.0816 -19.2997 -19.2845 -19.1139 -19.1059 11.3306 11.3413 13.7863 13.7953 14.0784 14.1235 17.9303 18.0043 18.4692 18.4732 21.1952 21.2054 23.5636 23.6766 26.2463 26.3440 27.7684 27.8707 k = 0.4009 0.4603 0.4923 ( 1078 PWs) bands (ev): -47.8202 -47.8202 -22.1009 -22.0819 -19.2969 -19.2807 -19.1203 -19.1125 11.3658 11.3774 13.6916 13.7044 14.1264 14.1702 17.8659 17.9403 18.5344 18.5389 21.1829 21.1918 23.7083 23.8202 26.2183 26.3173 27.7366 27.8398 k = 0.3964 0.4681 0.4923 ( 1074 PWs) bands (ev): -47.8198 -47.8198 -22.1017 -22.0822 -19.2939 -19.2768 -19.1266 -19.1191 11.4020 11.4146 13.5992 13.6146 14.1734 14.2172 17.8056 17.8801 18.5966 18.6012 21.1704 21.1781 23.8517 23.9623 26.1922 26.2922 27.7066 27.8107 k = 0.3919 0.4759 0.4923 ( 1074 PWs) bands (ev): -47.8193 -47.8193 -22.1025 -22.0825 -19.2910 -19.2727 -19.1329 -19.1259 11.4390 11.4527 13.5093 13.5267 14.2190 14.2633 17.7497 17.8242 18.6552 18.6598 21.1577 21.1642 23.9930 24.1024 26.1682 26.2692 27.6785 27.7833 k = 0.3874 0.4837 0.4923 ( 1074 PWs) bands (ev): -47.8189 -47.8189 -22.1034 -22.0828 -19.2880 -19.2685 -19.1390 -19.1326 11.4766 11.4916 13.4223 13.4415 14.2626 14.3077 17.6987 17.7730 18.7098 18.7144 21.1449 21.1504 24.1319 24.2398 26.1464 26.2482 27.6521 27.7576 k = 0.3829 0.4915 0.4923 ( 1078 PWs) bands (ev): -47.8185 -47.8185 -22.1042 -22.0832 -19.2850 -19.2642 -19.1451 -19.1394 11.5147 11.5311 13.3383 13.3593 14.3039 14.3499 17.6527 17.7269 18.7601 18.7647 21.1322 21.1366 24.2674 24.3737 26.1270 26.2295 27.6274 27.7337 k = 0.3784 0.4993 0.4923 ( 1078 PWs) bands (ev): -47.8181 -47.8181 -22.1049 -22.0835 -19.2821 -19.2599 -19.1509 -19.1461 11.5529 11.5708 13.2578 13.2806 14.3425 14.3894 17.6119 17.6860 18.8061 18.8106 21.1197 21.1232 24.3990 24.5036 26.1101 26.2132 27.6043 27.7113 k = 0.3739 0.5071 0.4923 ( 1074 PWs) bands (ev): -47.8178 -47.8178 -22.1056 -22.0838 -19.2792 -19.2554 -19.1565 -19.1527 11.5909 11.6104 13.1811 13.2059 14.3780 14.4258 17.5763 17.6503 18.8476 18.8521 21.1077 21.1103 24.5256 24.6283 26.0956 26.1993 27.5829 27.6908 k = 0.3694 0.5149 0.4923 ( 1070 PWs) bands (ev): -47.8174 -47.8174 -22.1063 -22.0841 -19.2763 -19.2509 -19.1617 -19.1593 11.6281 11.6495 13.1087 13.1355 14.4101 14.4587 17.5459 17.6198 18.8846 18.8891 21.0960 21.0978 24.6461 24.7469 26.0836 26.1878 27.5633 27.6719 k = 0.3649 0.5227 0.4923 ( 1070 PWs) bands (ev): -47.8171 -47.8171 -22.1069 -22.0844 -19.2737 -19.2463 -19.1666 -19.1657 11.6641 11.6875 13.0413 13.0702 14.4385 14.4879 17.5205 17.5945 18.9170 18.9215 21.0851 21.0862 24.7592 24.8580 26.0738 26.1785 27.5453 27.6549 k = 0.3604 0.5305 0.4923 ( 1070 PWs) bands (ev): -47.8169 -47.8169 -22.1074 -22.0847 -19.2712 -19.2417 -19.1720 -19.1711 11.6982 11.7236 12.9795 13.0106 14.4631 14.5131 17.5001 17.5740 18.9449 18.9493 21.0751 21.0755 24.8635 24.9601 26.0662 26.1713 27.5292 27.6397 k = 0.3559 0.5383 0.4923 ( 1074 PWs) bands (ev): -47.8166 -47.8166 -22.1079 -22.0850 -19.2690 -19.2371 -19.1780 -19.1751 11.7295 11.7571 12.9243 12.9577 14.4836 14.5343 17.4841 17.5581 18.9682 18.9726 21.0659 21.0660 24.9570 25.0516 26.0606 26.1660 27.5150 27.6266 k = 0.3514 0.5461 0.4923 ( 1074 PWs) bands (ev): -47.8164 -47.8164 -22.1083 -22.0852 -19.2671 -19.2326 -19.1838 -19.1784 11.7571 11.7869 12.8767 12.9123 14.5002 14.5513 17.4724 17.5464 18.9871 18.9915 21.0576 21.0582 25.0380 25.1306 26.0567 26.1624 27.5030 27.6156 k = 0.3468 0.5539 0.4923 ( 1074 PWs) bands (ev): -47.8163 -47.8163 -22.1087 -22.0854 -19.2656 -19.2283 -19.1891 -19.1811 11.7801 11.8119 12.8379 12.8755 14.5128 14.5642 17.4644 17.5385 19.0015 19.0059 21.0509 21.0519 25.1043 25.1952 26.0543 26.1602 27.4933 27.6068 k = 0.3423 0.5617 0.4923 ( 1074 PWs) bands (ev): -47.8162 -47.8162 -22.1089 -22.0856 -19.2644 -19.2244 -19.1937 -19.1830 11.7973 11.8308 12.8090 12.8484 14.5215 14.5732 17.4594 17.5336 19.0117 19.0161 21.0459 21.0472 25.1538 25.2434 26.0530 26.1591 27.4861 27.6004 k = 0.3378 0.5695 0.4923 ( 1074 PWs) bands (ev): -47.8161 -47.8161 -22.1091 -22.0857 -19.2638 -19.2214 -19.1971 -19.1842 11.8080 11.8426 12.7913 12.8317 14.5265 14.5785 17.4569 17.5312 19.0177 19.0221 21.0427 21.0442 25.1846 25.2733 26.0525 26.1587 27.4816 27.5964 k = 0.3333 0.5774 0.4923 ( 1074 PWs) bands (ev): -47.8161 -47.8161 -22.1091 -22.0857 -19.2636 -19.2203 -19.1984 -19.1846 11.8116 11.8465 12.7853 12.8262 14.5282 14.5801 17.4563 17.5305 19.0197 19.0241 21.0417 21.0432 25.1951 25.2836 26.0524 26.1586 27.4801 27.5951 k = 0.3333 0.5774 0.4923 ( 1074 PWs) bands (ev): -47.8161 -47.8161 -22.1091 -22.0857 -19.2636 -19.2203 -19.1984 -19.1846 11.8116 11.8465 12.7853 12.8262 14.5282 14.5801 17.4563 17.5305 19.0197 19.0241 21.0417 21.0432 25.1951 25.2836 26.0524 26.1586 27.4801 27.5951 k = 0.3288 0.5695 0.4923 ( 1074 PWs) bands (ev): -47.8161 -47.8161 -22.1091 -22.0857 -19.2638 -19.2214 -19.1971 -19.1842 11.8081 11.8426 12.7912 12.8317 14.5266 14.5786 17.4567 17.5309 19.0177 19.0221 21.0428 21.0443 25.1844 25.2732 26.0523 26.1585 27.4817 27.5965 k = 0.3243 0.5617 0.4923 ( 1074 PWs) bands (ev): -47.8162 -47.8162 -22.1089 -22.0856 -19.2643 -19.2241 -19.1939 -19.1831 11.7978 11.8313 12.8085 12.8479 14.5223 14.5740 17.4575 17.5317 19.0121 19.0165 21.0462 21.0475 25.1524 25.2420 26.0520 26.1580 27.4866 27.6007 k = 0.3198 0.5539 0.4923 ( 1074 PWs) bands (ev): -47.8163 -47.8163 -22.1086 -22.0854 -19.2652 -19.2275 -19.1897 -19.1814 11.7816 11.8135 12.8363 12.8740 14.5153 14.5669 17.4581 17.5321 19.0030 19.0074 21.0519 21.0529 25.0997 25.1906 26.0510 26.1566 27.4949 27.6080 k = 0.3153 0.5461 0.4923 ( 1074 PWs) bands (ev): -47.8165 -47.8165 -22.1082 -22.0851 -19.2662 -19.2312 -19.1850 -19.1791 11.7605 11.7905 12.8731 12.9089 14.5062 14.5574 17.4578 17.5315 18.9905 18.9949 21.0601 21.0606 25.0277 25.1201 26.0491 26.1541 27.5068 27.6185 k = 0.3108 0.5383 0.4923 ( 1074 PWs) bands (ev): -47.8167 -47.8167 -22.1077 -22.0847 -19.2674 -19.2347 -19.1799 -19.1763 11.7356 11.7636 12.9178 12.9515 14.4952 14.5460 17.4560 17.5293 18.9749 18.9792 21.0705 21.0705 24.9383 25.0324 26.0458 26.1499 27.5221 27.6321 k = 0.3063 0.5305 0.4923 ( 1074 PWs) bands (ev): -47.8171 -47.8171 -22.1070 -22.0842 -19.2685 -19.2382 -19.1747 -19.1731 11.7081 11.7340 12.9691 13.0007 14.4825 14.5329 17.4522 17.5250 18.9563 18.9607 21.0825 21.0832 24.8335 24.9293 26.0410 26.1440 27.5410 27.6490 k = 0.3018 0.5227 0.4923 ( 1074 PWs) bands (ev): -47.8174 -47.8174 -22.1061 -22.0836 -19.2696 -19.2414 -19.1695 -19.1694 11.6788 11.7027 13.0260 13.0555 14.4686 14.5185 17.4459 17.5181 18.9351 18.9393 21.0964 21.0980 24.7154 24.8129 26.0346 26.1361 27.5631 27.6691 k = 0.2973 0.5149 0.4923 ( 1080 PWs) bands (ev): -47.8179 -47.8179 -22.1052 -22.0829 -19.2707 -19.2443 -19.1657 -19.1640 11.6485 11.6706 13.0875 13.1151 14.4536 14.5029 17.4368 17.5083 18.9112 18.9155 21.1120 21.1145 24.5863 24.6852 26.0262 26.1260 27.5883 27.6921 k = 0.2928 0.5071 0.4923 ( 1080 PWs) bands (ev): -47.8184 -47.8184 -22.1041 -22.0821 -19.2716 -19.2470 -19.1616 -19.1585 11.6180 11.6383 13.1531 13.1788 14.4377 14.4866 17.4247 17.4954 18.8851 18.8892 21.1292 21.1327 24.4479 24.5480 26.0160 26.1139 27.6164 27.7178 k = 0.2883 0.4993 0.4923 ( 1080 PWs) bands (ev): -47.8190 -47.8190 -22.1028 -22.0811 -19.2722 -19.2493 -19.1573 -19.1529 11.5876 11.6064 13.2221 13.2461 14.4213 14.4695 17.4094 17.4791 18.8568 18.8609 21.1476 21.1521 24.3020 24.4031 26.0038 26.0997 27.6469 27.7460 k = 0.2838 0.4915 0.4923 ( 1076 PWs) bands (ev): -47.8196 -47.8196 -22.1013 -22.0799 -19.2727 -19.2513 -19.1528 -19.1473 11.5579 11.5753 13.2941 13.3164 14.4044 14.4520 17.3908 17.4595 18.8266 18.8306 21.1668 21.1725 24.1502 24.2520 25.9897 26.0834 27.6793 27.7761 k = 0.2793 0.4837 0.4923 ( 1076 PWs) bands (ev): -47.8203 -47.8203 -22.0997 -22.0787 -19.2729 -19.2530 -19.1482 -19.1417 11.5291 11.5452 13.3687 13.3895 14.3872 14.4343 17.3688 17.4364 18.7946 18.7985 21.1864 21.1933 23.9936 24.0958 25.9737 26.0652 27.7133 27.8078 k = 0.2748 0.4759 0.4923 ( 1072 PWs) bands (ev): -47.8211 -47.8211 -22.0978 -22.0773 -19.2728 -19.2543 -19.1434 -19.1360 11.5015 11.5164 13.4456 13.4649 14.3699 14.4163 17.3435 17.4099 18.7611 18.7649 21.2061 21.2141 23.8336 23.9360 25.9560 26.0452 27.7483 27.8406 k = 0.2703 0.4681 0.4923 ( 1072 PWs) bands (ev): -47.8219 -47.8219 -22.0958 -22.0758 -19.2725 -19.2553 -19.1385 -19.1303 11.4753 11.4892 13.5245 13.5424 14.3525 14.3984 17.3150 17.3803 18.7263 18.7299 21.2251 21.2343 23.6711 23.7735 25.9365 26.0235 27.7838 27.8739 k = 0.2658 0.4603 0.4923 ( 1072 PWs) bands (ev): -47.8229 -47.8229 -22.0937 -22.0741 -19.2718 -19.2560 -19.1335 -19.1246 11.4507 11.4636 13.6054 13.6217 14.3351 14.3804 17.2835 17.3475 18.6902 18.6937 21.2430 21.2533 23.5073 23.6095 25.9156 26.0004 27.8191 27.9072 k = 0.2613 0.4525 0.4923 ( 1072 PWs) bands (ev): -47.8239 -47.8239 -22.0914 -22.0722 -19.2710 -19.2563 -19.1284 -19.1188 11.4278 11.4397 13.6878 13.7026 14.3177 14.3627 17.2493 17.3120 18.6531 18.6564 21.2592 21.2706 23.3431 23.4448 25.8933 25.9760 27.8537 27.9399 k = 0.2568 0.4447 0.4923 ( 1068 PWs) bands (ev): -47.8249 -47.8249 -22.0889 -22.0702 -19.2697 -19.2563 -19.1231 -19.1130 11.4066 11.4178 13.7718 13.7849 14.3003 14.3451 17.2125 17.2738 18.6151 18.6183 21.2731 21.2855 23.1795 23.2805 25.8699 25.9506 27.8870 27.9714 k = 0.2523 0.4369 0.4923 ( 1068 PWs) bands (ev): -47.8260 -47.8260 -22.0862 -22.0681 -19.2683 -19.2560 -19.1178 -19.1072 11.3874 11.3977 13.8572 13.8682 14.2829 14.3280 17.1733 17.2334 18.5765 18.5795 21.2837 21.2969 23.0176 23.1176 25.8454 25.9242 27.9185 28.0012 k = 0.2477 0.4291 0.4923 ( 1072 PWs) bands (ev): -47.8273 -47.8273 -22.0834 -22.0658 -19.2666 -19.2555 -19.1125 -19.1013 11.3699 11.3796 13.9438 13.9520 14.2655 14.3115 17.1323 17.1910 18.5372 18.5401 21.2902 21.3039 22.8586 22.9573 25.8200 25.8969 27.9474 28.0287 k = 0.2432 0.4213 0.4923 ( 1072 PWs) bands (ev): -47.8285 -47.8285 -22.0804 -22.0634 -19.2645 -19.2545 -19.1070 -19.0954 11.3545 11.3635 14.0314 14.0352 14.2481 14.2967 17.0896 17.1471 18.4976 18.5002 21.2915 21.3053 22.7041 22.8011 25.7939 25.8691 27.9734 28.0531 k = 0.2387 0.4135 0.4923 ( 1072 PWs) bands (ev): -47.8298 -47.8298 -22.0773 -22.0608 -19.2622 -19.2533 -19.1014 -19.0895 11.3410 11.3494 14.1147 14.1198 14.2307 14.2864 17.0457 17.1018 18.4577 18.4601 21.2860 21.2993 22.5559 22.6505 25.7672 25.8408 27.9957 28.0741 k = 0.2342 0.4057 0.4923 ( 1072 PWs) bands (ev): -47.8312 -47.8312 -22.0740 -22.0581 -19.2596 -19.2517 -19.0958 -19.0835 11.3294 11.3373 14.1775 14.2022 14.2198 14.2933 17.0010 17.0558 18.4176 18.4198 21.2720 21.2839 22.4163 22.5075 25.7401 25.8122 28.0140 28.0911 k = 0.2297 0.3979 0.4923 ( 1072 PWs) bands (ev): -47.8327 -47.8327 -22.0705 -22.0552 -19.2568 -19.2499 -19.0900 -19.0775 11.3198 11.3272 14.1926 14.1979 14.3012 14.3430 16.9557 17.0092 18.3775 18.3795 21.2473 21.2565 22.2881 22.3747 25.7128 25.7834 28.0278 28.1037 k = 0.2252 0.3901 0.4923 ( 1074 PWs) bands (ev): -47.8342 -47.8342 -22.0669 -22.0521 -19.2538 -19.2478 -19.0842 -19.0715 11.3122 11.3190 14.1738 14.1902 14.3920 14.4209 16.9103 16.9625 18.3375 18.3393 21.2092 21.2141 22.1743 22.2546 25.6854 25.7546 28.0365 28.1112 k = 0.2207 0.3823 0.4923 ( 1074 PWs) bands (ev): -47.8358 -47.8358 -22.0632 -22.0490 -19.2505 -19.2454 -19.0783 -19.0654 11.3064 11.3129 14.1539 14.1740 14.4836 14.5071 16.8651 16.9161 18.2977 18.2993 21.1545 21.1557 22.0775 22.1497 25.6579 25.7259 28.0399 28.1135 k = 0.2162 0.3745 0.4923 ( 1074 PWs) bands (ev): -47.8374 -47.8374 -22.0593 -22.0457 -19.2470 -19.2427 -19.0722 -19.0592 11.3026 11.3086 14.1330 14.1543 14.5757 14.5962 16.8207 16.8705 18.2583 18.2596 21.0769 21.0854 21.9987 22.0616 25.6307 25.6975 28.0377 28.1102 k = 0.2117 0.3667 0.4923 ( 1078 PWs) bands (ev): -47.8391 -47.8391 -22.0553 -22.0423 -19.2434 -19.2399 -19.0661 -19.0530 11.3007 11.3062 14.1107 14.1324 14.6683 14.6867 16.7774 16.8259 18.2192 18.2203 20.9824 20.9985 21.9369 21.9902 25.6037 25.6694 28.0297 28.1011 k = 0.2072 0.3589 0.4923 ( 1074 PWs) bands (ev): -47.8409 -47.8409 -22.0512 -22.0387 -19.2395 -19.2368 -19.0598 -19.0467 11.3005 11.3057 14.0871 14.1085 14.7611 14.7781 16.7357 16.7830 18.1807 18.1815 20.8740 20.8972 21.8896 21.9338 25.5771 25.6418 28.0157 28.0860 k = 0.2027 0.3511 0.4923 ( 1070 PWs) bands (ev): -47.8426 -47.8426 -22.0469 -22.0350 -19.2355 -19.2335 -19.0534 -19.0403 11.3022 11.3071 14.0617 14.0826 14.8542 14.8700 16.6959 16.7419 18.1427 18.1434 20.7550 20.7841 21.8533 21.8897 25.5511 25.6148 27.9957 28.0650 k = 0.1982 0.3433 0.4923 ( 1070 PWs) bands (ev): -47.8445 -47.8445 -22.0425 -22.0312 -19.2314 -19.2300 -19.0469 -19.0338 11.3056 11.3101 14.0344 14.0546 14.9473 14.9621 16.6584 16.7032 18.1055 18.1059 20.6288 20.6625 21.8250 21.8549 25.5256 25.5884 27.9697 28.0379 k = 0.1937 0.3355 0.4923 ( 1070 PWs) bands (ev): -47.8464 -47.8464 -22.0381 -22.0273 -19.2272 -19.2264 -19.0402 -19.0273 11.3108 11.3149 14.0051 14.0244 15.0404 15.0544 16.6236 16.6672 18.0690 18.0692 20.4983 20.5352 21.8022 21.8267 25.5009 25.5628 27.9378 28.0049 k = 0.1892 0.3277 0.4923 ( 1070 PWs) bands (ev): -47.8483 -47.8483 -22.0336 -22.0234 -19.2229 -19.2227 -19.0334 -19.0206 11.3175 11.3213 13.9733 13.9918 15.1334 15.1466 16.5918 16.6342 18.0333 18.0334 20.3653 20.4045 21.7830 21.8033 25.4771 25.5380 27.9002 27.9662 k = 0.1847 0.3199 0.4923 ( 1070 PWs) bands (ev): -47.8502 -47.8502 -22.0290 -22.0193 -19.2188 -19.2185 -19.0265 -19.0139 11.3258 11.3293 13.9391 13.9567 15.2261 15.2387 16.5635 16.6046 17.9983 17.9987 20.2316 20.2721 21.7661 21.7830 25.4541 25.5143 27.8571 27.9220 k = 0.1802 0.3121 0.4923 ( 1062 PWs) bands (ev): -47.8522 -47.8522 -22.0242 -22.0151 -19.2147 -19.2140 -19.0193 -19.0070 11.3356 11.3389 13.9023 13.9189 15.3184 15.3305 16.5388 16.5786 17.9644 17.9650 20.0981 20.1394 21.7505 21.7648 25.4322 25.4916 27.8089 27.8726 k = 0.1757 0.3043 0.4923 ( 1062 PWs) bands (ev): -47.8542 -47.8542 -22.0195 -22.0110 -19.2107 -19.2096 -19.0121 -19.0001 11.3468 11.3498 13.8627 13.8783 15.4103 15.4219 16.5179 16.5564 17.9315 17.9323 19.9658 20.0073 21.7357 21.7477 25.4114 25.4700 27.7558 27.8184 k = 0.1712 0.2965 0.4923 ( 1068 PWs) bands (ev): -47.8563 -47.8563 -22.0148 -22.0068 -19.2066 -19.2052 -19.0047 -18.9930 11.3593 11.3621 13.8203 13.8349 15.5016 15.5127 16.5011 16.5382 17.8997 17.9008 19.8352 19.8765 21.7211 21.7313 25.3917 25.4495 27.6981 27.7595 k = 0.1667 0.2887 0.4923 ( 1068 PWs) bands (ev): -47.8583 -47.8583 -22.0101 -22.0025 -19.2024 -19.2008 -18.9971 -18.9859 11.3731 11.3757 13.7751 13.7888 15.5921 15.6029 16.4886 16.5242 17.8691 17.8704 19.7069 19.7477 21.7065 21.7153 25.3733 25.4303 27.6363 27.6966 k = 0.1622 0.2809 0.4923 ( 1068 PWs) bands (ev): -47.8604 -47.8604 -22.0053 -21.9982 -19.1983 -19.1964 -18.9894 -18.9786 11.3882 11.3905 13.7272 13.7399 15.6817 15.6923 16.4803 16.5144 17.8397 17.8412 19.5811 19.6212 21.6917 21.6993 25.3562 25.4125 27.5707 27.6299 k = 0.1577 0.2731 0.4923 ( 1068 PWs) bands (ev): -47.8625 -47.8625 -22.0005 -21.9939 -19.1941 -19.1920 -18.9816 -18.9712 11.4043 11.4064 13.6765 13.6883 15.7704 15.7808 16.4764 16.5088 17.8116 17.8133 19.4582 19.4974 21.6766 21.6832 25.3406 25.3960 27.5018 27.5598 k = 0.1532 0.2653 0.4923 ( 1068 PWs) bands (ev): -47.8646 -47.8646 -21.9957 -21.9896 -19.1899 -19.1878 -18.9736 -18.9636 11.4214 11.4234 13.6233 13.6342 15.8579 15.8683 16.4768 16.5074 17.7847 17.7867 19.3385 19.3765 21.6611 21.6668 25.3263 25.3809 27.4299 27.4868 k = 0.1486 0.2575 0.4923 ( 1058 PWs) bands (ev): -47.8666 -47.8666 -21.9908 -21.9852 -19.1857 -19.1835 -18.9654 -18.9560 11.4395 11.4413 13.5678 13.5778 15.9441 15.9546 16.4815 16.5101 17.7593 17.7614 19.2220 19.2588 21.6452 21.6501 25.3136 25.3674 27.3555 27.4112 k = 0.1441 0.2497 0.4923 ( 1058 PWs) bands (ev): -47.8687 -47.8687 -21.9861 -21.9809 -19.1817 -19.1794 -18.9572 -18.9482 11.4584 11.4600 13.5100 13.5193 16.0288 16.0397 16.4905 16.5169 17.7352 17.7375 19.1089 19.1444 21.6287 21.6330 25.3023 25.3553 27.2789 27.3334 k = 0.1396 0.2419 0.4923 ( 1062 PWs) bands (ev): -47.8708 -47.8708 -21.9814 -21.9767 -19.1777 -19.1754 -18.9488 -18.9405 11.4780 11.4795 13.4504 13.4588 16.1117 16.1233 16.5035 16.5274 17.7124 17.7149 18.9993 19.0334 21.6118 21.6155 25.2926 25.3447 27.2004 27.2538 k = 0.1351 0.2341 0.4923 ( 1062 PWs) bands (ev): -47.8729 -47.8729 -21.9768 -21.9724 -19.1738 -19.1715 -18.9404 -18.9326 11.4983 11.4996 13.3891 13.3967 16.1926 16.2054 16.5208 16.5416 17.6911 17.6938 18.8933 18.9259 21.5944 21.5977 25.2845 25.3357 27.1206 27.1728 k = 0.1306 0.2263 0.4923 ( 1062 PWs) bands (ev): -47.8750 -47.8750 -21.9722 -21.9682 -19.1699 -19.1678 -18.9319 -18.9246 11.5191 11.5203 13.3264 13.3333 16.2711 16.2857 16.5422 16.5594 17.6712 17.6740 18.7910 18.8221 21.5765 21.5794 25.2780 25.3283 27.0396 27.0907 k = 0.1261 0.2185 0.4923 ( 1062 PWs) bands (ev): -47.8770 -47.8770 -21.9676 -21.9640 -19.1662 -19.1641 -18.9233 -18.9165 11.5404 11.5414 13.2626 13.2689 16.3467 16.3642 16.5679 16.5804 17.6528 17.6557 18.6924 18.7219 21.5583 21.5609 25.2730 25.3224 26.9580 27.0078 k = 0.1216 0.2107 0.4923 ( 1062 PWs) bands (ev): -47.8790 -47.8790 -21.9632 -21.9599 -19.1626 -19.1606 -18.9147 -18.9085 11.5621 11.5629 13.1980 13.2037 16.4187 16.4406 16.5983 16.6046 17.6358 17.6388 18.5975 18.6254 21.5397 21.5420 25.2697 25.3180 26.8759 26.9245 k = 0.1171 0.2029 0.4923 ( 1062 PWs) bands (ev): -47.8810 -47.8810 -21.9589 -21.9559 -19.1592 -19.1573 -18.9060 -18.9004 11.5839 11.5847 13.1330 13.1380 16.4859 16.5145 16.6319 16.6342 17.6203 17.6232 18.5065 18.5327 21.5209 21.5228 25.2679 25.3152 26.7937 26.8411 k = 0.1126 0.1951 0.4923 ( 1062 PWs) bands (ev): -47.8830 -47.8830 -21.9546 -21.9520 -19.1558 -19.1541 -18.8974 -18.8923 11.6060 11.6066 13.0678 13.0722 16.5471 16.5851 16.6627 16.6763 17.6061 17.6091 18.4192 18.4438 21.5017 21.5034 25.2677 25.3139 26.7118 26.7579 k = 0.1081 0.1872 0.4923 ( 1066 PWs) bands (ev): -47.8849 -47.8849 -21.9505 -21.9481 -19.1526 -19.1510 -18.8889 -18.8842 11.6281 11.6286 13.0026 13.0066 16.6014 16.6499 16.6993 16.7250 17.5934 17.5963 18.3358 18.3586 21.4824 21.4838 25.2690 25.3140 26.6304 26.6752 k = 0.1036 0.1794 0.4923 ( 1066 PWs) bands (ev): -47.8868 -47.8868 -21.9465 -21.9444 -19.1496 -19.1481 -18.8804 -18.8762 11.6501 11.6505 12.9379 12.9414 16.6500 16.7026 16.7474 16.7791 17.5821 17.5849 18.2562 18.2773 21.4629 21.4642 25.2718 25.3156 26.5498 26.5933 k = 0.0991 0.1716 0.4923 ( 1066 PWs) bands (ev): -47.8886 -47.8886 -21.9426 -21.9407 -19.1466 -19.1453 -18.8719 -18.8682 11.6720 11.6724 12.8739 12.8770 16.6946 16.7439 16.8060 16.8361 17.5722 17.5747 18.1805 18.1997 21.4433 21.4445 25.2759 25.3185 26.4703 26.5125 k = 0.0946 0.1638 0.4923 ( 1060 PWs) bands (ev): -47.8904 -47.8904 -21.9387 -21.9371 -19.1438 -19.1426 -18.8636 -18.8603 11.6937 11.6940 12.8109 12.8135 16.7371 16.7816 16.8668 16.8940 17.5636 17.5658 18.1087 18.1260 21.4238 21.4248 25.2814 25.3226 26.3922 26.4330 k = 0.0901 0.1560 0.4923 ( 1064 PWs) bands (ev): -47.8922 -47.8922 -21.9351 -21.9337 -19.1412 -19.1401 -18.8555 -18.8526 11.7150 11.7152 12.7491 12.7513 16.7782 16.8186 16.9265 16.9512 17.5563 17.5581 18.0407 18.0561 21.4042 21.4051 25.2881 25.3279 26.3157 26.3551 k = 0.0856 0.1482 0.4923 ( 1064 PWs) bands (ev): -47.8938 -47.8938 -21.9316 -21.9304 -19.1387 -19.1377 -18.8475 -18.8450 11.7359 11.7361 12.6887 12.6906 16.8187 16.8556 16.9842 17.0070 17.5502 17.5514 17.9767 17.9901 21.3848 21.3856 25.2959 25.3343 26.2411 26.2791 k = 0.0811 0.1404 0.4923 ( 1064 PWs) bands (ev): -47.8954 -47.8954 -21.9283 -21.9273 -19.1363 -19.1355 -18.8397 -18.8376 11.7563 11.7564 12.6300 12.6316 16.8586 16.8924 17.0393 17.0607 17.5453 17.5457 17.9167 17.9280 21.3656 21.3663 25.3047 25.3416 26.1687 26.2051 k = 0.0766 0.1326 0.4923 ( 1064 PWs) bands (ev): -47.8970 -47.8970 -21.9251 -21.9242 -19.1341 -19.1334 -18.8322 -18.8303 11.7761 11.7762 12.5733 12.5746 16.8979 16.9290 17.0917 17.1119 17.5409 17.5414 17.8609 17.8698 21.3467 21.3473 25.3145 25.3497 26.0987 26.1335 k = 0.0721 0.1248 0.4923 ( 1070 PWs) bands (ev): -47.8985 -47.8985 -21.9221 -21.9214 -19.1321 -19.1315 -18.8250 -18.8234 11.7953 11.7953 12.5187 12.5198 16.9363 16.9650 17.1413 17.1605 17.5367 17.5386 17.8092 17.8155 21.3281 21.3286 25.3249 25.3585 26.0313 26.0645 k = 0.0676 0.1170 0.4923 ( 1066 PWs) bands (ev): -47.8999 -47.8999 -21.9192 -21.9186 -19.1301 -19.1296 -18.8180 -18.8167 11.8137 11.8137 12.4664 12.4673 16.9737 17.0000 17.1879 17.2061 17.5331 17.5366 17.7620 17.7655 21.3100 21.3104 25.3360 25.3679 25.9667 25.9983 k = 0.0631 0.1092 0.4923 ( 1066 PWs) bands (ev): -47.9012 -47.9012 -21.9165 -21.9160 -19.1283 -19.1279 -18.8113 -18.8102 11.8312 11.8312 12.4167 12.4174 17.0098 17.0337 17.2315 17.2487 17.5297 17.5354 17.7197 17.7198 21.2925 21.2928 25.3475 25.3776 25.9053 25.9351 k = 0.0586 0.1014 0.4923 ( 1066 PWs) bands (ev): -47.9025 -47.9025 -21.9140 -21.9136 -19.1267 -19.1263 -18.8050 -18.8041 11.8479 11.8479 12.3696 12.3702 17.0441 17.0658 17.2718 17.2880 17.5259 17.5345 17.6788 17.6827 21.2755 21.2758 25.3593 25.3876 25.8472 25.8752 k = 0.0541 0.0936 0.4923 ( 1066 PWs) bands (ev): -47.9037 -47.9037 -21.9116 -21.9113 -19.1252 -19.1249 -18.7990 -18.7983 11.8636 11.8636 12.3254 12.3258 17.0763 17.0957 17.3089 17.3238 17.5213 17.5334 17.6434 17.6517 21.2593 21.2595 25.3713 25.3976 25.7926 25.8187 k = 0.0495 0.0858 0.4923 ( 1066 PWs) bands (ev): -47.9048 -47.9048 -21.9095 -21.9092 -19.1238 -19.1236 -18.7934 -18.7929 11.8782 11.8783 12.2842 12.2845 17.1062 17.1231 17.3426 17.3561 17.5150 17.5306 17.6149 17.6276 21.2439 21.2441 25.3832 25.4075 25.7417 25.7659 k = 0.0450 0.0780 0.4923 ( 1066 PWs) bands (ev): -47.9058 -47.9058 -21.9075 -21.9073 -19.1225 -19.1224 -18.7883 -18.7879 11.8919 11.8919 12.2461 12.2463 17.1331 17.1476 17.3727 17.3846 17.5065 17.5241 17.5956 17.6110 21.2294 21.2295 25.3948 25.4171 25.6947 25.7169 k = 0.0405 0.0702 0.4923 ( 1066 PWs) bands (ev): -47.9067 -47.9067 -21.9057 -21.9056 -19.1214 -19.1213 -18.7835 -18.7832 11.9044 11.9044 12.2112 12.2113 17.1567 17.1687 17.3993 17.4093 17.4966 17.5130 17.5865 17.6013 21.2160 21.2161 25.4060 25.4263 25.6518 25.6719 k = 0.0360 0.0624 0.4923 ( 1066 PWs) bands (ev): -47.9075 -47.9075 -21.9041 -21.9040 -19.1204 -19.1203 -18.7792 -18.7790 11.9157 11.9158 12.1797 12.1798 17.1767 17.1861 17.4221 17.4301 17.4866 17.4997 17.5853 17.5972 21.2036 21.2037 25.4167 25.4347 25.6132 25.6312 k = 0.0315 0.0546 0.4923 ( 1066 PWs) bands (ev): -47.9083 -47.9083 -21.9026 -21.9026 -19.1195 -19.1195 -18.7754 -18.7753 11.9258 11.9259 12.1516 12.1517 17.1928 17.1997 17.4412 17.4473 17.4781 17.4874 17.5885 17.5971 21.1925 21.1925 25.4265 25.4423 25.5790 25.5948 k = 0.0270 0.0468 0.4923 ( 1070 PWs) bands (ev): -47.9089 -47.9089 -21.9014 -21.9014 -19.1188 -19.1187 -18.7721 -18.7720 11.9347 11.9348 12.1271 12.1271 17.2048 17.2096 17.4565 17.4609 17.4720 17.4779 17.5938 17.5994 21.1826 21.1826 25.4354 25.4489 25.5495 25.5630 k = 0.0225 0.0390 0.4923 ( 1070 PWs) bands (ev): -47.9094 -47.9094 -21.9004 -21.9004 -19.1181 -19.1181 -18.7693 -18.7692 11.9424 11.9424 12.1061 12.1061 17.2133 17.2162 17.4655 17.4694 17.4712 17.4735 17.5999 17.6032 21.1741 21.1741 25.4431 25.4541 25.5249 25.5359 k = 0.0180 0.0312 0.4923 ( 1074 PWs) bands (ev): -47.9099 -47.9099 -21.8996 -21.8995 -19.1176 -19.1176 -18.7670 -18.7669 11.9487 11.9487 12.0888 12.0888 17.2186 17.2201 17.4648 17.4669 17.4791 17.4803 17.6058 17.6076 21.1670 21.1670 25.4493 25.4575 25.5056 25.5139 k = 0.0135 0.0234 0.4923 ( 1078 PWs) bands (ev): -47.9103 -47.9103 -21.8989 -21.8989 -19.1173 -19.1173 -18.7652 -18.7652 11.9537 11.9537 12.0753 12.0753 17.2216 17.2222 17.4643 17.4651 17.4857 17.4862 17.6111 17.6118 21.1614 21.1614 25.4535 25.4586 25.4922 25.4973 k = 0.0090 0.0156 0.4923 ( 1082 PWs) bands (ev): -47.9105 -47.9105 -21.8985 -21.8985 -19.1170 -19.1170 -18.7639 -18.7639 11.9573 11.9574 12.0655 12.0655 17.2230 17.2232 17.4642 17.4645 17.4902 17.4903 17.6150 17.6152 21.1573 21.1573 25.4552 25.4572 25.4847 25.4867 k = 0.0045 0.0078 0.4923 ( 1082 PWs) bands (ev): -47.9107 -47.9107 -21.8982 -21.8982 -19.1168 -19.1168 -18.7631 -18.7631 11.9596 11.9596 12.0597 12.0597 17.2236 17.2236 17.4644 17.4645 17.4927 17.4927 17.6175 17.6175 21.1549 21.1549 25.4548 25.4551 25.4816 25.4819 k = 0.0000 0.0000 0.4923 ( 1082 PWs) bands (ev): -47.9107 -47.9107 -21.8981 -21.8981 -19.1168 -19.1168 -18.7628 -18.7628 11.9603 11.9603 12.0577 12.0577 17.2237 17.2237 17.4645 17.4645 17.4936 17.4936 17.6183 17.6183 21.1541 21.1541 25.4542 25.4542 25.4808 25.4808 k = 0.5000 0.2887 0.4923 ( 1068 PWs) bands (ev): -47.8266 -47.8266 -22.0837 -22.0837 -19.3294 -19.3294 -19.0278 -19.0278 10.9467 10.9467 13.4217 13.4217 15.6814 15.6814 16.8035 16.8035 19.6691 19.6691 21.0349 21.0349 21.4454 21.4454 26.7638 26.7638 28.7241 28.7241 k = 0.5000 0.2887 0.4832 ( 1068 PWs) bands (ev): -47.8266 -47.8266 -22.0837 -22.0836 -19.3294 -19.3292 -19.0278 -19.0277 10.9476 10.9484 13.4179 13.4228 15.6826 15.6835 16.7967 16.8060 19.6648 19.6689 21.0342 21.0353 21.4446 21.4481 26.7569 26.7672 28.7170 28.7170 k = 0.5000 0.2887 0.4740 ( 1070 PWs) bands (ev): -47.8267 -47.8267 -22.0836 -22.0834 -19.3292 -19.3289 -19.0276 -19.0275 10.9512 10.9528 13.4113 13.4210 15.6873 15.6890 16.7857 16.8043 19.6560 19.6641 21.0330 21.0352 21.4458 21.4526 26.7465 26.7670 28.6956 28.6956 k = 0.5000 0.2887 0.4649 ( 1070 PWs) bands (ev): -47.8269 -47.8269 -22.0833 -22.0830 -19.3288 -19.3283 -19.0272 -19.0271 10.9574 10.9598 13.4021 13.4165 15.6953 15.6979 16.7705 16.7982 19.6427 19.6547 21.0315 21.0347 21.4489 21.4592 26.7329 26.7632 28.6598 28.6600 k = 0.5000 0.2887 0.4558 ( 1070 PWs) bands (ev): -47.8271 -47.8271 -22.0829 -22.0825 -19.3282 -19.3275 -19.0267 -19.0265 10.9662 10.9694 13.3902 13.4093 15.7066 15.7101 16.7512 16.7878 19.6251 19.6408 21.0295 21.0338 21.4541 21.4678 26.7164 26.7561 28.6098 28.6103 k = 0.5000 0.2887 0.4467 ( 1066 PWs) bands (ev): -47.8274 -47.8273 -22.0823 -22.0818 -19.3274 -19.3266 -19.0260 -19.0258 10.9776 10.9816 13.3757 13.3994 15.7214 15.7257 16.7279 16.7730 19.6030 19.6224 21.0271 21.0326 21.4615 21.4785 26.6973 26.7460 28.5465 28.5470 k = 0.5000 0.2887 0.4376 ( 1070 PWs) bands (ev): -47.8277 -47.8277 -22.0817 -22.0811 -19.3265 -19.3255 -19.0252 -19.0250 10.9916 10.9963 13.3587 13.3868 15.7394 15.7446 16.7008 16.7540 19.5766 19.5995 21.0243 21.0309 21.4711 21.4914 26.6762 26.7330 28.4705 28.4711 k = 0.5000 0.2887 0.4285 ( 1070 PWs) bands (ev): -47.8281 -47.8281 -22.0809 -22.0802 -19.3253 -19.3242 -19.0242 -19.0239 11.0081 11.0136 13.3394 13.3717 15.7608 15.7669 16.6697 16.7307 19.5461 19.5721 21.0211 21.0288 21.4830 21.5065 26.6533 26.7177 28.3830 28.3835 k = 0.5000 0.2887 0.4193 ( 1070 PWs) bands (ev): -47.8285 -47.8285 -22.0800 -22.0792 -19.3241 -19.3228 -19.0230 -19.0227 11.0271 11.0333 13.3178 13.3541 15.7856 15.7925 16.6351 16.7033 19.5113 19.5403 21.0175 21.0265 21.4973 21.5241 26.6292 26.7005 28.2850 28.2855 k = 0.5000 0.2887 0.4102 ( 1070 PWs) bands (ev): -47.8290 -47.8290 -22.0790 -22.0781 -19.3226 -19.3212 -19.0217 -19.0213 11.0485 11.0554 13.2942 13.3342 15.8136 15.8215 16.5969 16.6718 19.4726 19.5042 21.0136 21.0237 21.5142 21.5441 26.6043 26.6817 28.1776 28.1780 k = 0.5000 0.2887 0.4011 ( 1072 PWs) bands (ev): -47.8295 -47.8295 -22.0778 -22.0769 -19.3211 -19.3196 -19.0201 -19.0198 11.0723 11.0799 13.2686 13.3122 15.8449 15.8536 16.5553 16.6365 19.4299 19.4639 21.0092 21.0207 21.5337 21.5666 26.5790 26.6617 28.0618 28.0620 k = 0.5000 0.2887 0.3920 ( 1072 PWs) bands (ev): -47.8301 -47.8301 -22.0766 -22.0756 -19.3194 -19.3178 -19.0184 -19.0180 11.0984 11.1066 13.2412 13.2880 15.8795 15.8891 16.5105 16.5973 19.3834 19.4196 21.0045 21.0172 21.5558 21.5918 26.5537 26.6410 27.9386 27.9386 k = 0.5000 0.2887 0.3829 ( 1072 PWs) bands (ev): -47.8307 -47.8307 -22.0753 -22.0742 -19.3177 -19.3159 -19.0165 -19.0161 11.1266 11.1355 13.2123 13.2621 15.9173 15.9278 16.4628 16.5547 19.3331 19.3713 20.9994 21.0135 21.5807 21.6197 26.5287 26.6199 27.8086 27.8088 k = 0.5000 0.2887 0.3738 ( 1076 PWs) bands (ev): -47.8314 -47.8314 -22.0739 -22.0728 -19.3158 -19.3139 -19.0143 -19.0139 11.1570 11.1664 13.1820 13.2344 15.9582 15.9696 16.4124 16.5087 19.2793 19.3191 20.9940 21.0094 21.6082 21.6501 26.5042 26.5988 27.6727 27.6732 k = 0.5000 0.2887 0.3646 ( 1076 PWs) bands (ev): -47.8321 -47.8321 -22.0724 -22.0712 -19.3139 -19.3119 -19.0120 -19.0116 11.1892 11.1992 13.1505 13.2053 16.0022 16.0144 16.3597 16.4598 19.2221 19.2634 20.9882 21.0051 21.6384 21.6832 26.4807 26.5779 27.5318 27.5326 k = 0.5000 0.2887 0.3555 ( 1076 PWs) bands (ev): -47.8329 -47.8329 -22.0708 -22.0695 -19.3119 -19.3099 -19.0094 -19.0090 11.2233 11.2337 13.1182 13.1749 16.0488 16.0621 16.3051 16.4084 19.1615 19.2041 20.9821 21.0004 21.6713 21.7189 26.4583 26.5575 27.3865 27.3876 k = 0.5000 0.2887 0.3464 ( 1066 PWs) bands (ev): -47.8337 -47.8337 -22.0690 -22.0677 -19.3099 -19.3077 -19.0065 -19.0061 11.2591 11.2698 13.0854 13.1437 16.0971 16.1121 16.2502 16.3554 19.0978 19.1415 20.9756 20.9954 21.7069 21.7571 26.4373 26.5380 27.2373 27.2388 k = 0.5000 0.2887 0.3373 ( 1062 PWs) bands (ev): -47.8345 -47.8345 -22.0673 -22.0659 -19.3078 -19.3056 -19.0034 -19.0030 11.2963 11.3073 13.0522 13.1117 16.1377 16.1620 16.2042 16.3032 19.0310 19.0756 20.9689 20.9902 21.7448 21.7977 26.4177 26.5193 27.0849 27.0867 k = 0.5000 0.2887 0.3282 ( 1062 PWs) bands (ev): -47.8354 -47.8354 -22.0655 -22.0641 -19.3058 -19.3036 -19.0001 -18.9997 11.3347 11.3457 13.0190 13.0794 16.1145 16.1937 16.2238 16.2705 18.9612 19.0067 20.9617 20.9846 21.7851 21.8404 26.3996 26.5016 26.9297 26.9319 k = 0.5000 0.2887 0.3191 ( 1068 PWs) bands (ev): -47.8363 -47.8363 -22.0637 -22.0623 -19.3039 -19.3016 -18.9966 -18.9963 11.3739 11.3849 12.9864 13.0471 16.0575 16.1606 16.2790 16.3038 18.8887 18.9349 20.9543 20.9787 21.8274 21.8852 26.3832 26.4847 26.7725 26.7748 k = 0.5000 0.2887 0.3099 ( 1068 PWs) bands (ev): -47.8372 -47.8372 -22.0618 -22.0603 -19.3019 -19.2996 -18.9929 -18.9925 11.4137 11.4245 12.9546 13.0153 15.9963 16.1037 16.3407 16.3627 18.8135 18.8604 20.9465 20.9726 21.8719 21.9319 26.3680 26.4674 26.6152 26.6162 k = 0.5000 0.2887 0.3008 ( 1068 PWs) bands (ev): -47.8382 -47.8382 -22.0599 -22.0584 -19.3000 -19.2977 -18.9889 -18.9886 11.4536 11.4640 12.9243 12.9845 15.9337 16.0426 16.4062 16.4281 18.7357 18.7832 20.9383 20.9662 21.9182 21.9804 26.3516 26.4248 26.4593 26.4830 k = 0.5000 0.2887 0.2917 ( 1062 PWs) bands (ev): -47.8391 -47.8391 -22.0579 -22.0564 -19.2981 -19.2958 -18.9846 -18.9844 11.4932 11.5029 12.8961 12.9552 15.8707 15.9798 16.4750 16.4973 18.6556 18.7035 20.9299 20.9595 21.9662 22.0303 26.2784 26.2793 26.3598 26.4540 k = 0.5000 0.2887 0.2826 ( 1058 PWs) bands (ev): -47.8401 -47.8401 -22.0559 -22.0543 -19.2963 -19.2940 -18.9802 -18.9799 11.5320 11.5406 12.8706 12.9281 15.8075 15.9164 16.5468 16.5699 18.5731 18.6215 20.9212 20.9525 22.0155 22.0814 26.1170 26.1217 26.3449 26.4425 k = 0.5000 0.2887 0.2735 ( 1058 PWs) bands (ev): -47.8411 -47.8411 -22.0539 -22.0523 -19.2946 -19.2923 -18.9755 -18.9753 11.5692 11.5763 12.8486 12.9038 15.7447 15.8528 16.6216 16.6456 18.4884 18.5372 20.9121 20.9453 22.0661 22.1335 25.9523 25.9584 26.3380 26.4342 k = 0.5000 0.2887 0.2644 ( 1058 PWs) bands (ev): -47.8421 -47.8421 -22.0519 -22.0503 -19.2930 -19.2907 -18.9707 -18.9705 11.6042 11.6094 12.8310 12.8832 15.6826 15.7895 16.6992 16.7242 18.4017 18.4508 20.9027 20.9377 22.1176 22.1864 25.7866 25.7937 26.3343 26.4284 k = 0.5000 0.2887 0.2553 ( 1050 PWs) bands (ev): -47.8431 -47.8431 -22.0499 -22.0483 -19.2915 -19.2892 -18.9656 -18.9655 11.6361 11.6389 12.8185 12.8672 15.6214 15.7268 16.7796 16.8057 18.3129 18.3624 20.8930 20.9300 22.1699 22.2398 25.6204 25.6284 26.3332 26.4248 k = 0.5000 0.2887 0.2461 ( 1050 PWs) bands (ev): -47.8441 -47.8441 -22.0479 -22.0463 -19.2901 -19.2878 -18.9604 -18.9604 11.6640 11.6641 12.8122 12.8565 15.5614 15.6651 16.8626 16.8898 18.2223 18.2721 20.8828 20.9218 22.2227 22.2934 25.4539 25.4629 26.3346 26.4232 k = 0.5000 0.2887 0.2370 ( 1058 PWs) bands (ev): -47.8452 -47.8452 -22.0460 -22.0444 -19.2888 -19.2866 -18.9552 -18.9551 11.6842 11.6873 12.8126 12.8522 15.5030 15.6047 16.9482 16.9766 18.1299 18.1800 20.8722 20.9133 22.2757 22.3469 25.2874 25.2973 26.3384 26.4239 k = 0.5000 0.2887 0.2279 ( 1062 PWs) bands (ev): -47.8462 -47.8462 -22.0441 -22.0425 -19.2876 -19.2855 -18.9498 -18.9498 11.6986 11.7052 12.8205 12.8548 15.4464 15.5459 17.0362 17.0660 18.0359 18.0863 20.8612 20.9045 22.3288 22.4002 25.1212 25.1322 26.3447 26.4267 k = 0.5000 0.2887 0.2188 ( 1062 PWs) bands (ev): -47.8472 -47.8472 -22.0422 -22.0406 -19.2865 -19.2845 -18.9443 -18.9442 11.7070 11.7172 12.8362 12.8649 15.3919 15.4890 17.1267 17.1578 17.9403 17.9911 20.8498 20.8953 22.3816 22.4530 24.9556 24.9676 26.3534 26.4318 k = 0.5000 0.2887 0.2097 ( 1062 PWs) bands (ev): -47.8482 -47.8482 -22.0403 -22.0387 -19.2856 -19.2835 -18.9387 -18.9386 11.7095 11.7232 12.8596 12.8827 15.3398 15.4344 17.2193 17.2520 17.8434 17.8947 20.8379 20.8857 22.4340 22.5050 24.7907 24.8039 26.3646 26.4390 k = 0.5000 0.2887 0.2006 ( 1062 PWs) bands (ev): -47.8492 -47.8492 -22.0384 -22.0369 -19.2847 -19.2827 -18.9331 -18.9330 11.7063 11.7232 12.8903 12.9081 15.2903 15.3822 17.3138 17.3483 17.7452 17.7973 20.8254 20.8756 22.4857 22.5560 24.6269 24.6413 26.3781 26.4484 k = 0.5000 0.2887 0.1914 ( 1062 PWs) bands (ev): -47.8501 -47.8501 -22.0366 -22.0351 -19.2839 -19.2820 -18.9274 -18.9273 11.6979 11.7177 12.9279 12.9406 15.2437 15.3328 17.4091 17.4461 17.6466 17.7000 20.8124 20.8650 22.5366 22.6059 24.4643 24.4800 26.3939 26.4599 k = 0.5000 0.2887 0.1823 ( 1062 PWs) bands (ev): -47.8511 -47.8511 -22.0349 -22.0334 -19.2832 -19.2814 -18.9218 -18.9216 11.6851 11.7071 12.9715 12.9796 15.2003 15.2865 17.4977 17.5254 17.5674 17.6103 20.7986 20.8538 22.5863 22.6543 24.3033 24.3204 26.4120 26.4736 k = 0.5000 0.2887 0.1732 ( 1062 PWs) bands (ev): -47.8520 -47.8520 -22.0332 -22.0318 -19.2826 -19.2808 -18.9162 -18.9160 11.6687 11.6924 13.0202 13.0241 15.1603 15.2437 17.4397 17.4801 17.6277 17.6542 20.7840 20.8419 22.6347 22.7011 24.1443 24.1628 26.4321 26.4892 k = 0.5000 0.2887 0.1641 ( 1064 PWs) bands (ev): -47.8529 -47.8529 -22.0316 -22.0302 -19.2820 -19.2804 -18.9107 -18.9105 11.6494 11.6742 13.0730 13.0734 15.1241 15.2045 17.3380 17.3844 17.7240 17.7580 20.7685 20.8291 22.6816 22.7460 23.9874 24.0074 26.4543 26.5067 k = 0.5000 0.2887 0.1550 ( 1068 PWs) bands (ev): -47.8538 -47.8538 -22.0300 -22.0287 -19.2816 -19.2800 -18.9053 -18.9051 11.6280 11.6534 13.1263 13.1290 15.0920 15.1695 17.2348 17.2828 17.8271 17.8639 20.7519 20.8153 22.7267 22.7889 23.8332 23.8548 26.4782 26.5261 k = 0.5000 0.2887 0.1459 ( 1068 PWs) bands (ev): -47.8546 -47.8546 -22.0285 -22.0272 -19.2812 -19.2797 -18.9000 -18.8997 11.6051 11.6307 13.1820 13.1873 15.0643 15.1389 17.1309 17.1795 17.9326 17.9715 20.7342 20.8004 22.7701 22.8297 23.6821 23.7052 26.5038 26.5470 k = 0.5000 0.2887 0.1367 ( 1064 PWs) bands (ev): -47.8554 -47.8554 -22.0270 -22.0258 -19.2808 -19.2795 -18.8948 -18.8946 11.5814 11.6068 13.2395 13.2469 15.0415 15.1132 17.0265 17.0754 18.0397 18.0805 20.7151 20.7841 22.8114 22.8682 23.5346 23.5592 26.5307 26.5694 k = 0.5000 0.2887 0.1276 ( 1068 PWs) bands (ev): -47.8562 -47.8562 -22.0257 -22.0246 -19.2806 -19.2793 -18.8899 -18.8896 11.5574 11.5821 13.2977 13.3068 15.0239 15.0929 16.9216 16.9708 18.1479 18.1904 20.6944 20.7662 22.8504 22.9042 23.3911 23.4174 26.5586 26.5929 k = 0.5000 0.2887 0.1185 ( 1064 PWs) bands (ev): -47.8569 -47.8569 -22.0244 -22.0233 -19.2803 -19.2792 -18.8851 -18.8848 11.5335 11.5574 13.3559 13.3663 15.0121 15.0784 16.8166 16.8659 18.2569 18.3010 20.6719 20.7464 22.8871 22.9374 23.2526 23.2806 26.5874 26.6174 k = 0.5000 0.2887 0.1094 ( 1064 PWs) bands (ev): -47.8576 -47.8576 -22.0232 -22.0222 -19.2802 -19.2791 -18.8806 -18.8803 11.5102 11.5329 13.4130 13.4244 15.0064 15.0702 16.7116 16.7610 18.3662 18.4119 20.6474 20.7244 22.9207 22.9668 23.1202 23.1503 26.6165 26.6424 k = 0.5000 0.2887 0.1003 ( 1064 PWs) bands (ev): -47.8582 -47.8582 -22.0221 -22.0211 -19.2800 -19.2790 -18.8763 -18.8760 11.4878 11.5091 13.4682 13.4802 15.0074 15.0688 16.6068 16.6562 18.4754 18.5226 20.6207 20.6999 22.9447 22.9803 23.0012 23.0391 26.6456 26.6678 k = 0.5000 0.2887 0.0912 ( 1062 PWs) bands (ev): -47.8588 -47.8588 -22.0210 -22.0201 -19.2799 -19.2789 -18.8723 -18.8721 11.4665 11.4864 13.5207 13.5329 15.0155 15.0748 16.5024 16.5518 18.5841 18.6327 20.5916 20.6725 22.8656 22.8939 22.9897 23.0320 26.6744 26.6930 k = 0.5000 0.2887 0.0820 ( 1062 PWs) bands (ev): -47.8593 -47.8593 -22.0201 -22.0193 -19.2798 -19.2789 -18.8687 -18.8684 11.4468 11.4649 13.5696 13.5818 15.0312 15.0884 16.3987 16.4480 18.6917 18.7414 20.5599 20.6420 22.7553 22.7846 23.0148 23.0526 26.7024 26.7177 k = 0.5000 0.2887 0.0729 ( 1058 PWs) bands (ev): -47.8598 -47.8598 -22.0192 -22.0185 -19.2796 -19.2789 -18.8653 -18.8651 11.4286 11.4450 13.6144 13.6261 15.0547 15.1101 16.2960 16.3451 18.7974 18.8478 20.5258 20.6080 22.6523 22.6816 23.0389 23.0725 26.7290 26.7414 k = 0.5000 0.2887 0.0638 ( 1054 PWs) bands (ev): -47.8602 -47.8602 -22.0184 -22.0177 -19.2795 -19.2789 -18.8623 -18.8621 11.4124 11.4269 13.6544 13.6654 15.0861 15.1398 16.1945 16.2434 18.9002 18.9508 20.4896 20.5708 22.5590 22.5874 23.0608 23.0903 26.7540 26.7638 k = 0.5000 0.2887 0.0547 ( 1058 PWs) bands (ev): -47.8606 -47.8606 -22.0177 -22.0172 -19.2795 -19.2790 -18.8597 -18.8595 11.3981 11.4107 13.6892 13.6993 15.1253 15.1776 16.0947 16.1434 18.9990 19.0489 20.4518 20.5302 22.4764 22.5031 23.0801 23.1054 26.7767 26.7843 k = 0.5000 0.2887 0.0456 ( 1060 PWs) bands (ev): -47.8609 -47.8609 -22.0171 -22.0167 -19.2795 -19.2790 -18.8574 -18.8573 11.3860 11.3966 13.7188 13.7276 15.1720 15.2229 15.9971 16.0454 19.0921 19.1401 20.4137 20.4873 22.4055 22.4296 23.0968 23.1180 26.7968 26.8025 k = 0.5000 0.2887 0.0365 ( 1060 PWs) bands (ev): -47.8612 -47.8612 -22.0167 -22.0163 -19.2794 -19.2791 -18.8556 -18.8555 11.3762 11.3847 13.7430 13.7503 15.2256 15.2750 15.9026 15.9501 19.1775 19.2217 20.3772 20.4432 22.3472 22.3678 23.1109 23.1279 26.8139 26.8181 k = 0.5000 0.2887 0.0273 ( 1060 PWs) bands (ev): -47.8614 -47.8614 -22.0163 -22.0160 -19.2794 -19.2791 -18.8541 -18.8540 11.3686 11.3750 13.7618 13.7674 15.2850 15.3324 15.8124 15.8586 19.2524 19.2902 20.3453 20.4003 22.3020 22.3183 23.1224 23.1351 26.8277 26.8305 k = 0.5000 0.2887 0.0182 ( 1060 PWs) bands (ev): -47.8615 -47.8615 -22.0160 -22.0158 -19.2793 -19.2792 -18.8531 -18.8530 11.3635 11.3678 13.7754 13.7793 15.3480 15.3916 15.7300 15.7727 19.3131 19.3413 20.3216 20.3617 22.2704 22.2816 23.1312 23.1397 26.8378 26.8396 k = 0.5000 0.2887 0.0091 ( 1060 PWs) bands (ev): -47.8616 -47.8616 -22.0158 -22.0157 -19.2793 -19.2792 -18.8524 -18.8524 11.3609 11.3630 13.7839 13.7859 15.4097 15.4421 15.6655 15.6975 19.3555 19.3708 20.3101 20.3314 22.2525 22.2583 23.1373 23.1416 26.8442 26.8450 k = 0.5000 0.2887-0.0000 ( 1058 PWs) bands (ev): -47.8616 -47.8616 -22.0157 -22.0157 -19.2793 -19.2793 -18.8522 -18.8522 11.3607 11.3607 13.7874 13.7874 15.4525 15.4525 15.6503 15.6503 19.3756 19.3756 20.3133 20.3133 22.2485 22.2485 23.1408 23.1408 26.8466 26.8466 k = 0.3333 0.5774-0.0000 ( 1068 PWs) bands (ev): -47.8509 -47.8509 -22.0430 -22.0217 -19.3162 -19.2810 -18.9185 -18.9091 12.4390 12.5528 13.9147 13.9160 15.0268 15.1478 15.9506 16.0189 18.0079 18.1169 20.1102 20.2450 21.4772 21.4813 21.7246 21.8954 28.5635 28.6449 k = 0.3333 0.5774 0.0091 ( 1062 PWs) bands (ev): -47.8509 -47.8509 -22.0430 -22.0217 -19.3161 -19.2809 -18.9187 -18.9093 12.4387 12.5525 13.9175 13.9188 15.0245 15.1456 15.9485 16.0166 18.0040 18.1115 20.1200 20.2533 21.4776 21.4817 21.7281 21.8987 28.5611 28.6426 k = 0.3333 0.5774 0.0182 ( 1065 PWs) bands (ev): -47.8508 -47.8508 -22.0432 -22.0219 -19.3159 -19.2808 -18.9195 -18.9101 12.4375 12.5512 13.9258 13.9272 15.0176 15.1387 15.9420 16.0096 17.9924 18.0955 20.1488 20.2778 21.4788 21.4830 21.7384 21.9085 28.5541 28.6357 k = 0.3333 0.5774 0.0273 ( 1065 PWs) bands (ev): -47.8507 -47.8507 -22.0434 -22.0221 -19.3157 -19.2806 -18.9208 -18.9113 12.4357 12.5492 13.9397 13.9411 15.0061 15.1273 15.9313 15.9982 17.9739 18.0702 20.1957 20.3179 21.4808 21.4851 21.7556 21.9247 28.5425 28.6242 k = 0.3333 0.5774 0.0365 ( 1065 PWs) bands (ev): -47.8505 -47.8505 -22.0437 -22.0224 -19.3154 -19.2802 -18.9225 -18.9131 12.4331 12.5463 13.9592 13.9606 14.9901 15.1114 15.9165 15.9823 17.9494 18.0371 20.2589 20.3726 21.4836 21.4881 21.7794 21.9472 28.5264 28.6084 k = 0.3333 0.5774 0.0456 ( 1059 PWs) bands (ev): -47.8502 -47.8502 -22.0441 -22.0228 -19.3150 -19.2797 -18.9247 -18.9152 12.4298 12.5426 13.9842 13.9857 14.9696 15.0909 15.8979 15.9623 17.9201 17.9980 20.3368 20.4406 21.4872 21.4920 21.8098 21.9759 28.5060 28.5882 k = 0.3333 0.5774 0.0547 ( 1053 PWs) bands (ev): -47.8499 -47.8499 -22.0446 -22.0232 -19.3145 -19.2792 -18.9274 -18.9178 12.4258 12.5381 14.0147 14.0162 14.9447 15.0660 15.8755 15.9384 17.8873 17.9547 20.4275 20.5206 21.4915 21.4967 21.8463 22.0105 28.4813 28.5639 k = 0.3333 0.5774 0.0638 ( 1053 PWs) bands (ev): -47.8495 -47.8495 -22.0452 -22.0238 -19.3139 -19.2785 -18.9306 -18.9210 12.4209 12.5328 14.0506 14.0522 14.9154 15.0366 15.8496 15.9106 17.8520 17.9086 20.5291 20.6111 21.4966 21.5022 21.8888 22.0506 28.4527 28.5357 k = 0.3333 0.5774 0.0729 ( 1053 PWs) bands (ev): -47.8491 -47.8491 -22.0459 -22.0245 -19.3133 -19.2778 -18.9342 -18.9246 12.4154 12.5266 14.0919 14.0936 14.8820 15.0030 15.8204 15.8795 17.8154 17.8614 20.6402 20.7111 21.5024 21.5085 21.9369 22.0962 28.4204 28.5038 k = 0.3333 0.5774 0.0820 ( 1053 PWs) bands (ev): -47.8486 -47.8486 -22.0467 -22.0253 -19.3126 -19.2769 -18.9383 -18.9287 12.4091 12.5195 14.1386 14.1403 14.8445 14.9651 15.7883 15.8453 17.7785 17.8143 20.7594 20.8192 21.5088 21.5155 21.9903 22.1467 28.3845 28.4684 k = 0.3333 0.5774 0.0912 ( 1053 PWs) bands (ev): -47.8480 -47.8480 -22.0476 -22.0261 -19.3118 -19.2760 -18.9429 -18.9331 12.4020 12.5117 14.1905 14.1925 14.8032 14.9232 15.7536 15.8083 17.7421 17.7681 20.8856 20.9344 21.5159 21.5235 22.0486 22.2020 28.3454 28.4298 k = 0.3333 0.5774 0.1003 ( 1053 PWs) bands (ev): -47.8475 -47.8475 -22.0486 -22.0270 -19.3109 -19.2750 -18.9478 -18.9380 12.3942 12.5029 14.2477 14.2498 14.7582 14.8775 15.7166 15.7690 17.7068 17.7236 21.0178 21.0556 21.5236 21.5324 22.1115 22.2616 28.3034 28.3882 k = 0.3333 0.5774 0.1094 ( 1053 PWs) bands (ev): -47.8468 -47.8468 -22.0497 -22.0281 -19.3100 -19.2739 -18.9531 -18.9432 12.3856 12.4933 14.3100 14.3124 14.7097 14.8281 15.6777 15.7276 17.6732 17.6814 21.1553 21.1817 21.5317 21.5426 22.1785 22.3253 28.2586 28.3438 k = 0.3333 0.5774 0.1185 ( 1053 PWs) bands (ev): -47.8462 -47.8462 -22.0508 -22.0292 -19.3090 -19.2727 -18.9588 -18.9489 12.3763 12.4828 14.3773 14.3801 14.6581 14.7752 15.6371 15.6845 17.6416 17.6418 21.2972 21.3107 21.5404 21.5553 22.2493 22.3926 28.2113 28.2969 k = 0.3333 0.5774 0.1276 ( 1065 PWs) bands (ev): -47.8455 -47.8455 -22.0521 -22.0305 -19.3080 -19.2716 -18.9649 -18.9549 12.3661 12.4714 14.4494 14.4528 14.6036 14.7193 15.5952 15.6400 17.6051 17.6121 21.4362 21.4431 21.5494 21.5762 22.3234 22.4631 28.1617 28.2478 k = 0.3333 0.5774 0.1367 ( 1071 PWs) bands (ev): -47.8447 -47.8447 -22.0535 -22.0318 -19.3069 -19.2704 -18.9713 -18.9612 12.3553 12.4592 14.5264 14.5302 14.5467 14.6605 15.5525 15.5944 17.5715 17.5852 21.5257 21.5588 21.5925 21.6374 22.4007 22.5366 28.1102 28.1967 k = 0.3333 0.5774 0.1459 ( 1071 PWs) bands (ev): -47.8439 -47.8439 -22.0548 -22.0331 -19.3057 -19.2690 -18.9779 -18.9677 12.3437 12.4461 14.4870 14.5992 14.6079 14.6131 15.5092 15.5482 17.5410 17.5607 21.5572 21.5684 21.7449 21.7602 22.4807 22.6129 28.0569 28.1438 k = 0.3333 0.5774 0.1550 ( 1062 PWs) bands (ev): -47.8431 -47.8431 -22.0562 -22.0344 -19.3044 -19.2675 -18.9848 -18.9745 12.3314 12.4323 14.4257 14.5358 14.6938 14.7004 15.4658 15.5015 17.5136 17.5389 21.5730 21.5782 21.9000 21.9019 22.5630 22.6915 28.0022 28.0894 k = 0.3333 0.5774 0.1641 ( 1062 PWs) bands (ev): -47.8422 -47.8422 -22.0577 -22.0359 -19.3031 -19.2660 -18.9920 -18.9816 12.3183 12.4175 14.3627 14.4705 14.7835 14.7924 15.4229 15.4547 17.4892 17.5195 21.5854 21.5880 22.0498 22.0575 22.6474 22.7721 27.9460 28.0335 k = 0.3333 0.5774 0.1732 ( 1062 PWs) bands (ev): -47.8413 -47.8413 -22.0593 -22.0374 -19.3017 -19.2644 -18.9994 -18.9889 12.3045 12.4020 14.2983 14.4038 14.8763 14.8889 15.3814 15.4080 17.4678 17.5026 21.5966 21.5977 22.2011 22.2169 22.7335 22.8543 27.8887 27.9764 k = 0.3333 0.5774 0.1823 ( 1062 PWs) bands (ev): -47.8404 -47.8404 -22.0609 -22.0390 -19.3004 -19.2628 -19.0070 -18.9964 12.2901 12.3856 14.2329 14.3359 14.9704 14.9898 15.3433 15.3616 17.4491 17.4880 21.6070 21.6072 22.3552 22.3781 22.8211 22.9381 27.8303 27.9182 k = 0.3333 0.5774 0.1914 ( 1071 PWs) bands (ev): -47.8395 -47.8395 -22.0627 -22.0407 -19.2990 -19.2612 -19.0148 -19.0041 12.2749 12.3685 14.1667 14.2670 15.0604 15.0950 15.3139 15.3157 17.4331 17.4757 21.6164 21.6168 22.5112 22.5406 22.9097 23.0228 27.7712 27.8592 k = 0.3333 0.5774 0.2006 ( 1071 PWs) bands (ev): -47.8385 -47.8385 -22.0644 -22.0423 -19.2975 -19.2596 -19.0227 -19.0119 12.2592 12.3507 14.1001 14.1977 15.1269 15.2044 15.2706 15.3128 17.4195 17.4655 21.6252 21.6260 22.6691 22.7045 22.9995 23.1086 27.7113 27.7994 k = 0.3333 0.5774 0.2097 ( 1071 PWs) bands (ev): -47.8375 -47.8375 -22.0662 -22.0441 -19.2961 -19.2579 -19.0307 -19.0197 12.2428 12.3322 14.0334 14.1282 15.1398 15.2264 15.3178 15.3700 17.4082 17.4573 21.6334 21.6346 22.8286 22.8692 23.0902 23.1950 27.6509 27.7391 k = 0.3333 0.5774 0.2188 ( 1065 PWs) bands (ev): -47.8365 -47.8365 -22.0680 -22.0458 -19.2945 -19.2561 -19.0388 -19.0277 12.2260 12.3131 13.9667 14.0587 15.1175 15.1833 15.4349 15.4673 17.3991 17.4510 21.6409 21.6424 22.9894 23.0341 23.1821 23.2819 27.5901 27.6783 k = 0.3333 0.5774 0.2279 ( 1074 PWs) bands (ev): -47.8356 -47.8356 -22.0699 -22.0476 -19.2930 -19.2544 -19.0470 -19.0358 12.2085 12.2933 13.9003 13.9895 15.0845 15.1414 15.5557 15.5798 17.3918 17.4463 21.6475 21.6491 23.1512 23.1964 23.2774 23.3690 27.5289 27.6171 k = 0.3333 0.5774 0.2370 ( 1074 PWs) bands (ev): -47.8345 -47.8345 -22.0718 -22.0495 -19.2915 -19.2526 -19.0551 -19.0438 12.1907 12.2731 13.8345 13.9208 15.0487 15.1008 15.6800 15.6999 17.3863 17.4432 21.6531 21.6549 23.3140 23.3385 23.3937 23.4561 27.4675 27.5557 k = 0.3333 0.5774 0.2461 ( 1074 PWs) bands (ev): -47.8335 -47.8335 -22.0737 -22.0513 -19.2900 -19.2508 -19.0633 -19.0518 12.1724 12.2524 13.7696 13.8530 15.0125 15.0617 15.8076 15.8250 17.3824 17.4416 21.6575 21.6594 23.4412 23.4776 23.5430 23.5497 27.4060 27.4942 k = 0.3333 0.5774 0.2553 ( 1074 PWs) bands (ev): -47.8325 -47.8325 -22.0757 -22.0532 -19.2885 -19.2491 -19.0714 -19.0598 12.1538 12.2314 13.7055 13.7862 14.9767 15.0240 15.9382 15.9541 17.3799 17.4413 21.6604 21.6624 23.5337 23.6297 23.6418 23.7157 27.3446 27.4326 k = 0.3333 0.5774 0.2644 ( 1068 PWs) bands (ev): -47.8315 -47.8315 -22.0776 -22.0550 -19.2869 -19.2473 -19.0794 -19.0677 12.1350 12.2101 13.6427 13.7207 14.9418 14.9879 16.0716 16.0867 17.3787 17.4421 21.6620 21.6640 23.6240 23.7158 23.8065 23.8837 27.2832 27.3711 k = 0.3333 0.5774 0.2735 ( 1068 PWs) bands (ev): -47.8305 -47.8305 -22.0795 -22.0569 -19.2854 -19.2455 -19.0874 -19.0755 12.1160 12.1885 13.5812 13.6565 14.9080 14.9534 16.2076 16.2221 17.3787 17.4440 21.6616 21.6637 23.7130 23.8014 23.9716 24.0524 27.2218 27.3096 k = 0.3333 0.5774 0.2826 ( 1068 PWs) bands (ev): -47.8295 -47.8295 -22.0814 -22.0587 -19.2839 -19.2438 -19.0952 -19.0833 12.0968 12.1669 13.5213 13.5939 14.8756 14.9206 16.3459 16.3602 17.3796 17.4469 21.6592 21.6613 23.8008 23.8862 24.1369 24.2215 27.1606 27.2484 k = 0.3333 0.5774 0.2917 ( 1068 PWs) bands (ev): -47.8285 -47.8285 -22.0834 -22.0606 -19.2824 -19.2421 -19.1029 -19.0909 12.0777 12.1452 13.4629 13.5330 14.8446 14.8893 16.4862 16.5006 17.3814 17.4507 21.6547 21.6568 23.8876 23.9701 24.3024 24.3905 27.0997 27.1873 k = 0.3333 0.5774 0.3008 ( 1068 PWs) bands (ev): -47.8276 -47.8276 -22.0853 -22.0624 -19.2810 -19.2404 -19.1105 -19.0983 12.0585 12.1236 13.4064 13.4740 14.8151 14.8598 16.6281 16.6429 17.3840 17.4554 21.6478 21.6499 23.9731 24.0531 24.4679 24.5595 27.0390 27.1266 k = 0.3333 0.5774 0.3099 ( 1077 PWs) bands (ev): -47.8266 -47.8266 -22.0872 -22.0643 -19.2796 -19.2388 -19.1180 -19.1056 12.0395 12.1022 13.3517 13.4169 14.7870 14.8318 16.7711 16.7868 17.3872 17.4610 21.6381 21.6402 24.0573 24.1349 24.6332 24.7282 26.9786 27.0663 k = 0.3333 0.5774 0.3191 ( 1071 PWs) bands (ev): -47.8257 -47.8257 -22.0890 -22.0661 -19.2781 -19.2371 -19.1251 -19.1126 12.0208 12.0810 13.2992 13.3621 14.7605 14.8056 16.9148 16.9319 17.3909 17.4676 21.6259 21.6280 24.1402 24.2156 24.7985 24.8966 26.9187 27.0064 k = 0.3333 0.5774 0.3282 ( 1071 PWs) bands (ev): -47.8248 -47.8248 -22.0908 -22.0678 -19.2768 -19.2356 -19.1320 -19.1194 12.0024 12.0603 13.2487 13.3094 14.7356 14.7810 17.0581 17.0779 17.3950 17.4757 21.6107 21.6128 24.2217 24.2950 24.9635 25.0645 26.8591 26.9471 k = 0.3333 0.5774 0.3373 ( 1071 PWs) bands (ev): -47.8239 -47.8239 -22.0926 -22.0695 -19.2755 -19.2341 -19.1387 -19.1260 11.9843 12.0400 13.2005 13.2591 14.7121 14.7579 17.1988 17.2244 17.3995 17.4869 21.5925 21.5945 24.3015 24.3731 25.1282 25.2317 26.8000 26.8885 k = 0.3333 0.5774 0.3464 ( 1071 PWs) bands (ev): -47.8231 -47.8231 -22.0943 -22.0712 -19.2742 -19.2326 -19.1451 -19.1323 11.9668 12.0202 13.1546 13.2113 14.6902 14.7365 17.3302 17.3709 17.4041 17.5078 21.5710 21.5730 24.3797 24.4498 25.2924 25.3982 26.7414 26.8306 k = 0.3333 0.5774 0.3555 ( 1071 PWs) bands (ev): -47.8223 -47.8223 -22.0959 -22.0728 -19.2730 -19.2312 -19.1512 -19.1383 11.9498 12.0011 13.1111 13.1659 14.6698 14.7166 17.4090 17.4245 17.5169 17.5653 21.5462 21.5481 24.4561 24.5249 25.4560 25.5636 26.6834 26.7736 k = 0.3333 0.5774 0.3646 ( 1071 PWs) bands (ev): -47.8215 -47.8215 -22.0975 -22.0743 -19.2719 -19.2299 -19.1570 -19.1440 11.9335 11.9828 13.0701 13.1231 14.6509 14.6982 17.4138 17.4616 17.6618 17.6788 21.5181 21.5199 24.5306 24.5984 25.6190 25.7278 26.6261 26.7179 k = 0.3333 0.5774 0.3738 ( 1077 PWs) bands (ev): -47.8208 -47.8208 -22.0990 -22.0758 -19.2708 -19.2286 -19.1625 -19.1494 11.9179 11.9653 13.0317 13.0830 14.6334 14.6812 17.4187 17.4770 17.8051 17.8124 21.4866 21.4884 24.6031 24.6701 25.7812 25.8901 26.5693 26.6637 k = 0.3333 0.5774 0.3829 ( 1077 PWs) bands (ev): -47.8202 -47.8202 -22.1005 -22.0772 -19.2698 -19.2275 -19.1677 -19.1544 11.9031 11.9488 12.9958 13.0457 14.6174 14.6657 17.4235 17.4867 17.9460 17.9491 21.4519 21.4537 24.6734 24.7400 25.9424 26.0496 26.5135 26.6124 k = 0.3333 0.5774 0.3920 ( 1077 PWs) bands (ev): -47.8195 -47.8195 -22.1018 -22.0785 -19.2688 -19.2264 -19.1724 -19.1591 11.8893 11.9332 12.9627 13.0111 14.6028 14.6516 17.4281 17.4943 18.0839 18.0846 21.4143 21.4160 24.7413 24.8078 26.1025 26.2032 26.4586 26.5669 k = 0.3333 0.5774 0.4011 ( 1077 PWs) bands (ev): -47.8189 -47.8189 -22.1030 -22.0797 -19.2680 -19.2253 -19.1768 -19.1635 11.8764 11.9188 12.9323 12.9794 14.5896 14.6389 17.4325 17.5007 18.2170 18.2177 21.3740 21.3756 24.8066 24.8735 26.2613 26.3369 26.4049 26.5411 k = 0.3333 0.5774 0.4102 ( 1080 PWs) bands (ev): -47.8184 -47.8184 -22.1042 -22.0808 -19.2671 -19.2244 -19.1809 -19.1674 11.8645 11.9055 12.9046 12.9505 14.5777 14.6275 17.4367 17.5064 18.3448 18.3465 21.3315 21.3331 24.8689 24.9366 26.3526 26.3915 26.4185 26.5941 k = 0.3333 0.5774 0.4193 ( 1080 PWs) bands (ev): -47.8179 -47.8179 -22.1052 -22.0818 -19.2664 -19.2236 -19.1845 -19.1710 11.8537 11.8935 12.8797 12.9246 14.5671 14.6174 17.4406 17.5114 18.4667 18.4691 21.2876 21.2891 24.9278 24.9969 26.3021 26.3696 26.5735 26.7232 k = 0.3333 0.5774 0.4285 ( 1080 PWs) bands (ev): -47.8175 -47.8175 -22.1061 -22.0827 -19.2657 -19.2228 -19.1878 -19.1742 11.8440 11.8827 12.8577 12.9017 14.5579 14.6085 17.4441 17.5158 18.5812 18.5841 21.2431 21.2446 24.9830 25.0540 26.2536 26.3319 26.7258 26.8675 k = 0.3333 0.5774 0.4376 ( 1080 PWs) bands (ev): -47.8171 -47.8171 -22.1069 -22.0835 -19.2652 -19.2221 -19.1906 -19.1770 11.8356 11.8732 12.8386 12.8817 14.5499 14.6009 17.4472 17.5197 18.6867 18.6900 21.1993 21.2008 25.0338 25.1071 26.2080 26.2929 26.8745 27.0120 k = 0.3333 0.5774 0.4467 ( 1080 PWs) bands (ev): -47.8168 -47.8168 -22.1076 -22.0842 -19.2647 -19.2216 -19.1930 -19.1793 11.8283 11.8651 12.8224 12.8648 14.5433 14.5945 17.4499 17.5230 18.7812 18.7849 21.1576 21.1591 25.0793 25.1555 26.1659 26.2562 27.0179 27.1522 k = 0.3333 0.5774 0.4558 ( 1080 PWs) bands (ev): -47.8165 -47.8165 -22.1082 -22.0848 -19.2643 -19.2211 -19.1949 -19.1812 11.8224 11.8585 12.8091 12.8509 14.5378 14.5893 17.4522 17.5257 18.8628 18.8668 21.1196 21.1212 25.1187 25.1982 26.1285 26.2236 27.1536 27.2844 k = 0.3333 0.5774 0.4649 ( 1080 PWs) bands (ev): -47.8163 -47.8163 -22.1086 -22.0852 -19.2640 -19.2207 -19.1965 -19.1827 11.8177 11.8533 12.7987 12.8401 14.5336 14.5853 17.4540 17.5278 18.9294 18.9335 21.0873 21.0888 25.1510 25.2337 26.0969 26.1963 27.2771 27.4038 k = 0.3333 0.5774 0.4740 ( 1080 PWs) bands (ev): -47.8162 -47.8162 -22.1089 -22.0855 -19.2637 -19.2205 -19.1976 -19.1838 11.8143 11.8495 12.7913 12.8323 14.5306 14.5824 17.4552 17.5293 18.9788 18.9831 21.0625 21.0640 25.1751 25.2608 26.0728 26.1758 27.3811 27.5028 k = 0.3333 0.5774 0.4832 ( 1074 PWs) bands (ev): -47.8161 -47.8161 -22.1091 -22.0856 -19.2636 -19.2203 -19.1982 -19.1844 11.8123 11.8473 12.7868 12.8277 14.5288 14.5807 17.4560 17.5302 19.0093 19.0137 21.0470 21.0486 25.1901 25.2778 26.0576 26.1630 27.4536 27.5706 k = 0.3333 0.5774 0.4923 ( 1074 PWs) bands (ev): -47.8161 -47.8161 -22.1091 -22.0857 -19.2636 -19.2203 -19.1984 -19.1846 11.8116 11.8465 12.7853 12.8262 14.5282 14.5801 17.4563 17.5305 19.0197 19.0241 21.0417 21.0432 25.1951 25.2836 26.0524 26.1586 27.4801 27.5951 Writing output data file TcB.save init_run : 2.81s CPU 13.11s WALL ( 1 calls) electrons : 124.24s CPU 129.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.17s CPU 1.35s WALL ( 1 calls) Called by electrons: c_bands : 124.18s CPU 128.83s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.80s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.47s WALL ( 1 calls) newd : 0.28s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 521 calls) cegterg : 95.37s CPU 96.27s WALL ( 523 calls) Called by sum_band: Called by *egterg: h_psi : 50.07s CPU 53.69s WALL ( 7474 calls) s_psi : 2.90s CPU 3.53s WALL ( 7474 calls) g_psi : 0.04s CPU 0.08s WALL ( 6430 calls) cdiaghg : 32.53s CPU 31.69s WALL ( 6951 calls) cegterg:over : 9.24s CPU 7.66s WALL ( 6430 calls) cegterg:upda : 0.19s CPU 0.78s WALL ( 6430 calls) cegterg:last : 0.22s CPU 0.62s WALL ( 1613 calls) Called by h_psi: h_psi:vloc : 43.03s CPU 46.42s WALL ( 7474 calls) h_psi:vnl : 7.03s CPU 7.15s WALL ( 7474 calls) add_vuspsi : 1.04s CPU 2.34s WALL ( 7474 calls) General routines calbec : 5.98s CPU 4.70s WALL ( 7474 calls) fft : 0.11s CPU 1.02s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 41.49s CPU 44.40s WALL ( 578780 calls) interpolate : 0.02s CPU 0.13s WALL ( 4 calls) davcio : 0.01s CPU 3.75s WALL ( 1042 calls) Parallel routines fft_scatter : 29.68s CPU 31.74s WALL ( 578803 calls) PWSCF : 2m45.86s CPU 5m40.89s WALL This run was terminated on: 17:40: 3 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=