Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:30:53 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: ./HfC.save/ 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 17 10 3 377 164 29 Max 18 11 4 384 181 34 Sum 847 511 163 18279 8287 1495 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 6.1737 a.u. unit-cell volume = 183.5135 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.173735 celldm(2)= 1.000000 celldm(3)= 0.900520 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.900520 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.110469 ) PseudoPot. # 1 for Hf read from file: /home/autes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 479 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 2) = ( 0.0089286 0.0051549 -0.0000000), wk = 0.0020877 k( 3) = ( 0.0178571 0.0103098 -0.0000000), wk = 0.0020877 k( 4) = ( 0.0267857 0.0154647 -0.0000000), wk = 0.0020877 k( 5) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0020877 k( 6) = ( 0.0446429 0.0257746 -0.0000000), wk = 0.0020877 k( 7) = ( 0.0535714 0.0309295 -0.0000000), wk = 0.0020877 k( 8) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0020877 k( 9) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0020877 k( 10) = ( 0.0803571 0.0463942 -0.0000000), wk = 0.0020877 k( 11) = ( 0.0892857 0.0515491 -0.0000000), wk = 0.0020877 k( 12) = ( 0.0982143 0.0567040 -0.0000000), wk = 0.0020877 k( 13) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0020877 k( 14) = ( 0.1160714 0.0670139 -0.0000000), wk = 0.0020877 k( 15) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0020877 k( 16) = ( 0.1339286 0.0773237 -0.0000000), wk = 0.0020877 k( 17) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0020877 k( 18) = ( 0.1517857 0.0876335 -0.0000000), wk = 0.0020877 k( 19) = ( 0.1607143 0.0927884 -0.0000000), wk = 0.0020877 k( 20) = ( 0.1696429 0.0979434 -0.0000000), wk = 0.0020877 k( 21) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0020877 k( 22) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0020877 k( 23) = ( 0.1964286 0.1134081 -0.0000000), wk = 0.0020877 k( 24) = ( 0.2053571 0.1185630 -0.0000000), wk = 0.0020877 k( 25) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0020877 k( 26) = ( 0.2232143 0.1288728 -0.0000000), wk = 0.0020877 k( 27) = ( 0.2321429 0.1340277 -0.0000000), wk = 0.0020877 k( 28) = ( 0.2410714 0.1391827 -0.0000000), wk = 0.0020877 k( 29) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0020877 k( 30) = ( 0.2589286 0.1494925 -0.0000000), wk = 0.0020877 k( 31) = ( 0.2678571 0.1546474 -0.0000000), wk = 0.0020877 k( 32) = ( 0.2767857 0.1598023 -0.0000000), wk = 0.0020877 k( 33) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0020877 k( 34) = ( 0.2946429 0.1701121 -0.0000000), wk = 0.0020877 k( 35) = ( 0.3035714 0.1752670 -0.0000000), wk = 0.0020877 k( 36) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0020877 k( 37) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0020877 k( 38) = ( 0.3303571 0.1907318 -0.0000000), wk = 0.0020877 k( 39) = ( 0.3392857 0.1958867 -0.0000000), wk = 0.0020877 k( 40) = ( 0.3482143 0.2010416 -0.0000000), wk = 0.0020877 k( 41) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0020877 k( 42) = ( 0.3660714 0.2113514 -0.0000000), wk = 0.0020877 k( 43) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0020877 k( 44) = ( 0.3839286 0.2216613 -0.0000000), wk = 0.0020877 k( 45) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0020877 k( 46) = ( 0.4017857 0.2319711 -0.0000000), wk = 0.0020877 k( 47) = ( 0.4107143 0.2371260 -0.0000000), wk = 0.0020877 k( 48) = ( 0.4196429 0.2422809 -0.0000000), wk = 0.0020877 k( 49) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0020877 k( 50) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0020877 k( 51) = ( 0.4464286 0.2577457 -0.0000000), wk = 0.0020877 k( 52) = ( 0.4553571 0.2629006 -0.0000000), wk = 0.0020877 k( 53) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0020877 k( 54) = ( 0.4732143 0.2732104 -0.0000000), wk = 0.0020877 k( 55) = ( 0.4821429 0.2783653 -0.0000000), wk = 0.0020877 k( 56) = ( 0.4910714 0.2835202 -0.0000000), wk = 0.0020877 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020877 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020877 k( 59) = ( 0.4949495 0.2974229 -0.0000000), wk = 0.0020877 k( 60) = ( 0.4898990 0.3061706 -0.0000000), wk = 0.0020877 k( 61) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0020877 k( 62) = ( 0.4797980 0.3236661 -0.0000000), wk = 0.0020877 k( 63) = ( 0.4747475 0.3324138 -0.0000000), wk = 0.0020877 k( 64) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0020877 k( 65) = ( 0.4646465 0.3499093 -0.0000000), wk = 0.0020877 k( 66) = ( 0.4595960 0.3586570 -0.0000000), wk = 0.0020877 k( 67) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0020877 k( 68) = ( 0.4494950 0.3761524 -0.0000000), wk = 0.0020877 k( 69) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0020877 k( 70) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0020877 k( 71) = ( 0.4343434 0.4023956 -0.0000000), wk = 0.0020877 k( 72) = ( 0.4292929 0.4111434 -0.0000000), wk = 0.0020877 k( 73) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0020877 k( 74) = ( 0.4191919 0.4286388 -0.0000000), wk = 0.0020877 k( 75) = ( 0.4141414 0.4373866 -0.0000000), wk = 0.0020877 k( 76) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0020877 k( 77) = ( 0.4040404 0.4548820 -0.0000000), wk = 0.0020877 k( 78) = ( 0.3989899 0.4636298 -0.0000000), wk = 0.0020877 k( 79) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0020877 k( 80) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0020877 k( 81) = ( 0.3838384 0.4898730 -0.0000000), wk = 0.0020877 k( 82) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0020877 k( 83) = ( 0.3737374 0.5073684 -0.0000000), wk = 0.0020877 k( 84) = ( 0.3686869 0.5161161 -0.0000000), wk = 0.0020877 k( 85) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0020877 k( 86) = ( 0.3585859 0.5336116 -0.0000000), wk = 0.0020877 k( 87) = ( 0.3535354 0.5423593 -0.0000000), wk = 0.0020877 k( 88) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0020877 k( 89) = ( 0.3434343 0.5598548 -0.0000000), wk = 0.0020877 k( 90) = ( 0.3383838 0.5686025 -0.0000000), wk = 0.0020877 k( 91) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020877 k( 92) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020877 k( 93) = ( 0.3282051 0.5684680 -0.0000000), wk = 0.0020877 k( 94) = ( 0.3230769 0.5595856 -0.0000000), wk = 0.0020877 k( 95) = ( 0.3179487 0.5507033 -0.0000000), wk = 0.0020877 k( 96) = ( 0.3128205 0.5418210 -0.0000000), wk = 0.0020877 k( 97) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0020877 k( 98) = ( 0.3025641 0.5240564 -0.0000000), wk = 0.0020877 k( 99) = ( 0.2974359 0.5151741 -0.0000000), wk = 0.0020877 k( 100) = ( 0.2923077 0.5062918 -0.0000000), wk = 0.0020877 k( 101) = ( 0.2871795 0.4974095 -0.0000000), wk = 0.0020877 k( 102) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0020877 k( 103) = ( 0.2769231 0.4796448 -0.0000000), wk = 0.0020877 k( 104) = ( 0.2717949 0.4707625 -0.0000000), wk = 0.0020877 k( 105) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0020877 k( 106) = ( 0.2615385 0.4529979 -0.0000000), wk = 0.0020877 k( 107) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0020877 k( 108) = ( 0.2512820 0.4352333 -0.0000000), wk = 0.0020877 k( 109) = ( 0.2461539 0.4263510 -0.0000000), wk = 0.0020877 k( 110) = ( 0.2410256 0.4174687 -0.0000000), wk = 0.0020877 k( 111) = ( 0.2358974 0.4085864 -0.0000000), wk = 0.0020877 k( 112) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0020877 k( 113) = ( 0.2256410 0.3908217 -0.0000000), wk = 0.0020877 k( 114) = ( 0.2205128 0.3819394 -0.0000000), wk = 0.0020877 k( 115) = ( 0.2153846 0.3730571 -0.0000000), wk = 0.0020877 k( 116) = ( 0.2102564 0.3641748 -0.0000000), wk = 0.0020877 k( 117) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0020877 k( 118) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0020877 k( 119) = ( 0.1948718 0.3375278 -0.0000000), wk = 0.0020877 k( 120) = ( 0.1897436 0.3286455 -0.0000000), wk = 0.0020877 k( 121) = ( 0.1846154 0.3197632 -0.0000000), wk = 0.0020877 k( 122) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0020877 k( 123) = ( 0.1743590 0.3019986 -0.0000000), wk = 0.0020877 k( 124) = ( 0.1692308 0.2931163 -0.0000000), wk = 0.0020877 k( 125) = ( 0.1641026 0.2842340 -0.0000000), wk = 0.0020877 k( 126) = ( 0.1589744 0.2753517 -0.0000000), wk = 0.0020877 k( 127) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0020877 k( 128) = ( 0.1487179 0.2575870 -0.0000000), wk = 0.0020877 k( 129) = ( 0.1435897 0.2487047 -0.0000000), wk = 0.0020877 k( 130) = ( 0.1384615 0.2398224 -0.0000000), wk = 0.0020877 k( 131) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0020877 k( 132) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0020877 k( 133) = ( 0.1230769 0.2131755 -0.0000000), wk = 0.0020877 k( 134) = ( 0.1179487 0.2042932 -0.0000000), wk = 0.0020877 k( 135) = ( 0.1128205 0.1954109 -0.0000000), wk = 0.0020877 k( 136) = ( 0.1076923 0.1865286 -0.0000000), wk = 0.0020877 k( 137) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0020877 k( 138) = ( 0.0974359 0.1687639 -0.0000000), wk = 0.0020877 k( 139) = ( 0.0923077 0.1598816 -0.0000000), wk = 0.0020877 k( 140) = ( 0.0871795 0.1509993 -0.0000000), wk = 0.0020877 k( 141) = ( 0.0820513 0.1421170 -0.0000000), wk = 0.0020877 k( 142) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0020877 k( 143) = ( 0.0717949 0.1243524 -0.0000000), wk = 0.0020877 k( 144) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0020877 k( 145) = ( 0.0615385 0.1065877 -0.0000000), wk = 0.0020877 k( 146) = ( 0.0564103 0.0977054 -0.0000000), wk = 0.0020877 k( 147) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0020877 k( 148) = ( 0.0461539 0.0799408 -0.0000000), wk = 0.0020877 k( 149) = ( 0.0410256 0.0710585 -0.0000000), wk = 0.0020877 k( 150) = ( 0.0358974 0.0621762 -0.0000000), wk = 0.0020877 k( 151) = ( 0.0307692 0.0532939 -0.0000000), wk = 0.0020877 k( 152) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0020877 k( 153) = ( 0.0205128 0.0355292 -0.0000000), wk = 0.0020877 k( 154) = ( 0.0153846 0.0266469 -0.0000000), wk = 0.0020877 k( 155) = ( 0.0102564 0.0177646 -0.0000000), wk = 0.0020877 k( 156) = ( 0.0051282 0.0088823 -0.0000000), wk = 0.0020877 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 159) = ( 0.0000000 0.0000000 0.0102821), wk = 0.0020877 k( 160) = ( 0.0000000 0.0000000 0.0205642), wk = 0.0020877 k( 161) = ( 0.0000000 0.0000000 0.0308464), wk = 0.0020877 k( 162) = ( 0.0000000 0.0000000 0.0411285), wk = 0.0020877 k( 163) = ( 0.0000000 0.0000000 0.0514106), wk = 0.0020877 k( 164) = ( 0.0000000 0.0000000 0.0616927), wk = 0.0020877 k( 165) = ( 0.0000000 0.0000000 0.0719748), wk = 0.0020877 k( 166) = ( 0.0000000 0.0000000 0.0822570), wk = 0.0020877 k( 167) = ( 0.0000000 0.0000000 0.0925391), wk = 0.0020877 k( 168) = ( 0.0000000 0.0000000 0.1028212), wk = 0.0020877 k( 169) = ( 0.0000000 0.0000000 0.1131033), wk = 0.0020877 k( 170) = ( 0.0000000 0.0000000 0.1233855), wk = 0.0020877 k( 171) = ( 0.0000000 0.0000000 0.1336676), wk = 0.0020877 k( 172) = ( 0.0000000 0.0000000 0.1439497), wk = 0.0020877 k( 173) = ( 0.0000000 0.0000000 0.1542318), wk = 0.0020877 k( 174) = ( 0.0000000 0.0000000 0.1645139), wk = 0.0020877 k( 175) = ( 0.0000000 0.0000000 0.1747961), wk = 0.0020877 k( 176) = ( 0.0000000 0.0000000 0.1850782), wk = 0.0020877 k( 177) = ( 0.0000000 0.0000000 0.1953603), wk = 0.0020877 k( 178) = ( 0.0000000 0.0000000 0.2056424), wk = 0.0020877 k( 179) = ( 0.0000000 0.0000000 0.2159245), wk = 0.0020877 k( 180) = ( 0.0000000 0.0000000 0.2262067), wk = 0.0020877 k( 181) = ( 0.0000000 0.0000000 0.2364888), wk = 0.0020877 k( 182) = ( 0.0000000 0.0000000 0.2467709), wk = 0.0020877 k( 183) = ( 0.0000000 0.0000000 0.2570530), wk = 0.0020877 k( 184) = ( 0.0000000 0.0000000 0.2673351), wk = 0.0020877 k( 185) = ( 0.0000000 0.0000000 0.2776173), wk = 0.0020877 k( 186) = ( 0.0000000 0.0000000 0.2878994), wk = 0.0020877 k( 187) = ( 0.0000000 0.0000000 0.2981815), wk = 0.0020877 k( 188) = ( 0.0000000 0.0000000 0.3084636), wk = 0.0020877 k( 189) = ( 0.0000000 0.0000000 0.3187458), wk = 0.0020877 k( 190) = ( 0.0000000 0.0000000 0.3290279), wk = 0.0020877 k( 191) = ( 0.0000000 0.0000000 0.3393100), wk = 0.0020877 k( 192) = ( 0.0000000 0.0000000 0.3495921), wk = 0.0020877 k( 193) = ( 0.0000000 0.0000000 0.3598742), wk = 0.0020877 k( 194) = ( 0.0000000 0.0000000 0.3701564), wk = 0.0020877 k( 195) = ( 0.0000000 0.0000000 0.3804385), wk = 0.0020877 k( 196) = ( 0.0000000 0.0000000 0.3907206), wk = 0.0020877 k( 197) = ( 0.0000000 0.0000000 0.4010027), wk = 0.0020877 k( 198) = ( 0.0000000 0.0000000 0.4112848), wk = 0.0020877 k( 199) = ( 0.0000000 0.0000000 0.4215670), wk = 0.0020877 k( 200) = ( 0.0000000 0.0000000 0.4318491), wk = 0.0020877 k( 201) = ( 0.0000000 0.0000000 0.4421312), wk = 0.0020877 k( 202) = ( 0.0000000 0.0000000 0.4524133), wk = 0.0020877 k( 203) = ( 0.0000000 0.0000000 0.4626954), wk = 0.0020877 k( 204) = ( 0.0000000 0.0000000 0.4729776), wk = 0.0020877 k( 205) = ( 0.0000000 0.0000000 0.4832597), wk = 0.0020877 k( 206) = ( 0.0000000 0.0000000 0.4935418), wk = 0.0020877 k( 207) = ( 0.0000000 0.0000000 0.5038239), wk = 0.0020877 k( 208) = ( 0.0000000 0.0000000 0.5141060), wk = 0.0020877 k( 209) = ( 0.0000000 0.0000000 0.5243882), wk = 0.0020877 k( 210) = ( 0.0000000 0.0000000 0.5346703), wk = 0.0020877 k( 211) = ( 0.0000000 0.0000000 0.5449524), wk = 0.0020877 k( 212) = ( 0.0000000 0.0000000 0.5552345), wk = 0.0020877 k( 213) = ( 0.0000000 0.0000000 0.5552345), wk = 0.0020877 k( 214) = ( 0.0089286 0.0051549 0.5552345), wk = 0.0020877 k( 215) = ( 0.0178571 0.0103098 0.5552345), wk = 0.0020877 k( 216) = ( 0.0267857 0.0154647 0.5552345), wk = 0.0020877 k( 217) = ( 0.0357143 0.0206197 0.5552345), wk = 0.0020877 k( 218) = ( 0.0446429 0.0257746 0.5552345), wk = 0.0020877 k( 219) = ( 0.0535714 0.0309295 0.5552345), wk = 0.0020877 k( 220) = ( 0.0625000 0.0360844 0.5552345), wk = 0.0020877 k( 221) = ( 0.0714286 0.0412393 0.5552345), wk = 0.0020877 k( 222) = ( 0.0803571 0.0463942 0.5552345), wk = 0.0020877 k( 223) = ( 0.0892857 0.0515491 0.5552345), wk = 0.0020877 k( 224) = ( 0.0982143 0.0567040 0.5552345), wk = 0.0020877 k( 225) = ( 0.1071429 0.0618590 0.5552345), wk = 0.0020877 k( 226) = ( 0.1160714 0.0670139 0.5552345), wk = 0.0020877 k( 227) = ( 0.1250000 0.0721688 0.5552345), wk = 0.0020877 k( 228) = ( 0.1339286 0.0773237 0.5552345), wk = 0.0020877 k( 229) = ( 0.1428571 0.0824786 0.5552345), wk = 0.0020877 k( 230) = ( 0.1517857 0.0876335 0.5552345), wk = 0.0020877 k( 231) = ( 0.1607143 0.0927884 0.5552345), wk = 0.0020877 k( 232) = ( 0.1696429 0.0979434 0.5552345), wk = 0.0020877 k( 233) = ( 0.1785714 0.1030983 0.5552345), wk = 0.0020877 k( 234) = ( 0.1875000 0.1082532 0.5552345), wk = 0.0020877 k( 235) = ( 0.1964286 0.1134081 0.5552345), wk = 0.0020877 k( 236) = ( 0.2053571 0.1185630 0.5552345), wk = 0.0020877 k( 237) = ( 0.2142857 0.1237179 0.5552345), wk = 0.0020877 k( 238) = ( 0.2232143 0.1288728 0.5552345), wk = 0.0020877 k( 239) = ( 0.2321429 0.1340277 0.5552345), wk = 0.0020877 k( 240) = ( 0.2410714 0.1391827 0.5552345), wk = 0.0020877 k( 241) = ( 0.2500000 0.1443376 0.5552345), wk = 0.0020877 k( 242) = ( 0.2589286 0.1494925 0.5552345), wk = 0.0020877 k( 243) = ( 0.2678571 0.1546474 0.5552345), wk = 0.0020877 k( 244) = ( 0.2767857 0.1598023 0.5552345), wk = 0.0020877 k( 245) = ( 0.2857143 0.1649572 0.5552345), wk = 0.0020877 k( 246) = ( 0.2946429 0.1701121 0.5552345), wk = 0.0020877 k( 247) = ( 0.3035714 0.1752670 0.5552345), wk = 0.0020877 k( 248) = ( 0.3125000 0.1804220 0.5552345), wk = 0.0020877 k( 249) = ( 0.3214286 0.1855769 0.5552345), wk = 0.0020877 k( 250) = ( 0.3303571 0.1907318 0.5552345), wk = 0.0020877 k( 251) = ( 0.3392857 0.1958867 0.5552345), wk = 0.0020877 k( 252) = ( 0.3482143 0.2010416 0.5552345), wk = 0.0020877 k( 253) = ( 0.3571429 0.2061965 0.5552345), wk = 0.0020877 k( 254) = ( 0.3660714 0.2113514 0.5552345), wk = 0.0020877 k( 255) = ( 0.3750000 0.2165064 0.5552345), wk = 0.0020877 k( 256) = ( 0.3839286 0.2216613 0.5552345), wk = 0.0020877 k( 257) = ( 0.3928571 0.2268162 0.5552345), wk = 0.0020877 k( 258) = ( 0.4017857 0.2319711 0.5552345), wk = 0.0020877 k( 259) = ( 0.4107143 0.2371260 0.5552345), wk = 0.0020877 k( 260) = ( 0.4196429 0.2422809 0.5552345), wk = 0.0020877 k( 261) = ( 0.4285714 0.2474358 0.5552345), wk = 0.0020877 k( 262) = ( 0.4375000 0.2525907 0.5552345), wk = 0.0020877 k( 263) = ( 0.4464286 0.2577457 0.5552345), wk = 0.0020877 k( 264) = ( 0.4553571 0.2629006 0.5552345), wk = 0.0020877 k( 265) = ( 0.4642857 0.2680555 0.5552345), wk = 0.0020877 k( 266) = ( 0.4732143 0.2732104 0.5552345), wk = 0.0020877 k( 267) = ( 0.4821429 0.2783653 0.5552345), wk = 0.0020877 k( 268) = ( 0.4910714 0.2835202 0.5552345), wk = 0.0020877 k( 269) = ( 0.5000000 0.2886751 0.5552345), wk = 0.0020877 k( 270) = ( 0.5000000 0.2886751 0.5552345), wk = 0.0020877 k( 271) = ( 0.4949495 0.2974229 0.5552345), wk = 0.0020877 k( 272) = ( 0.4898990 0.3061706 0.5552345), wk = 0.0020877 k( 273) = ( 0.4848485 0.3149183 0.5552345), wk = 0.0020877 k( 274) = ( 0.4797980 0.3236661 0.5552345), wk = 0.0020877 k( 275) = ( 0.4747475 0.3324138 0.5552345), wk = 0.0020877 k( 276) = ( 0.4696970 0.3411615 0.5552345), wk = 0.0020877 k( 277) = ( 0.4646465 0.3499093 0.5552345), wk = 0.0020877 k( 278) = ( 0.4595960 0.3586570 0.5552345), wk = 0.0020877 k( 279) = ( 0.4545455 0.3674047 0.5552345), wk = 0.0020877 k( 280) = ( 0.4494950 0.3761524 0.5552345), wk = 0.0020877 k( 281) = ( 0.4444444 0.3849002 0.5552345), wk = 0.0020877 k( 282) = ( 0.4393939 0.3936479 0.5552345), wk = 0.0020877 k( 283) = ( 0.4343434 0.4023956 0.5552345), wk = 0.0020877 k( 284) = ( 0.4292929 0.4111434 0.5552345), wk = 0.0020877 k( 285) = ( 0.4242424 0.4198911 0.5552345), wk = 0.0020877 k( 286) = ( 0.4191919 0.4286388 0.5552345), wk = 0.0020877 k( 287) = ( 0.4141414 0.4373866 0.5552345), wk = 0.0020877 k( 288) = ( 0.4090909 0.4461343 0.5552345), wk = 0.0020877 k( 289) = ( 0.4040404 0.4548820 0.5552345), wk = 0.0020877 k( 290) = ( 0.3989899 0.4636298 0.5552345), wk = 0.0020877 k( 291) = ( 0.3939394 0.4723775 0.5552345), wk = 0.0020877 k( 292) = ( 0.3888889 0.4811252 0.5552345), wk = 0.0020877 k( 293) = ( 0.3838384 0.4898730 0.5552345), wk = 0.0020877 k( 294) = ( 0.3787879 0.4986207 0.5552345), wk = 0.0020877 k( 295) = ( 0.3737374 0.5073684 0.5552345), wk = 0.0020877 k( 296) = ( 0.3686869 0.5161161 0.5552345), wk = 0.0020877 k( 297) = ( 0.3636364 0.5248639 0.5552345), wk = 0.0020877 k( 298) = ( 0.3585859 0.5336116 0.5552345), wk = 0.0020877 k( 299) = ( 0.3535354 0.5423593 0.5552345), wk = 0.0020877 k( 300) = ( 0.3484849 0.5511071 0.5552345), wk = 0.0020877 k( 301) = ( 0.3434343 0.5598548 0.5552345), wk = 0.0020877 k( 302) = ( 0.3383838 0.5686025 0.5552345), wk = 0.0020877 k( 303) = ( 0.3333333 0.5773503 0.5552345), wk = 0.0020877 k( 304) = ( 0.3333333 0.5773503 0.5552345), wk = 0.0020877 k( 305) = ( 0.3282051 0.5684680 0.5552345), wk = 0.0020877 k( 306) = ( 0.3230769 0.5595856 0.5552345), wk = 0.0020877 k( 307) = ( 0.3179487 0.5507033 0.5552345), wk = 0.0020877 k( 308) = ( 0.3128205 0.5418210 0.5552345), wk = 0.0020877 k( 309) = ( 0.3076923 0.5329387 0.5552345), wk = 0.0020877 k( 310) = ( 0.3025641 0.5240564 0.5552345), wk = 0.0020877 k( 311) = ( 0.2974359 0.5151741 0.5552345), wk = 0.0020877 k( 312) = ( 0.2923077 0.5062918 0.5552345), wk = 0.0020877 k( 313) = ( 0.2871795 0.4974095 0.5552345), wk = 0.0020877 k( 314) = ( 0.2820513 0.4885271 0.5552345), wk = 0.0020877 k( 315) = ( 0.2769231 0.4796448 0.5552345), wk = 0.0020877 k( 316) = ( 0.2717949 0.4707625 0.5552345), wk = 0.0020877 k( 317) = ( 0.2666667 0.4618802 0.5552345), wk = 0.0020877 k( 318) = ( 0.2615385 0.4529979 0.5552345), wk = 0.0020877 k( 319) = ( 0.2564103 0.4441156 0.5552345), wk = 0.0020877 k( 320) = ( 0.2512820 0.4352333 0.5552345), wk = 0.0020877 k( 321) = ( 0.2461539 0.4263510 0.5552345), wk = 0.0020877 k( 322) = ( 0.2410256 0.4174687 0.5552345), wk = 0.0020877 k( 323) = ( 0.2358974 0.4085864 0.5552345), wk = 0.0020877 k( 324) = ( 0.2307692 0.3997040 0.5552345), wk = 0.0020877 k( 325) = ( 0.2256410 0.3908217 0.5552345), wk = 0.0020877 k( 326) = ( 0.2205128 0.3819394 0.5552345), wk = 0.0020877 k( 327) = ( 0.2153846 0.3730571 0.5552345), wk = 0.0020877 k( 328) = ( 0.2102564 0.3641748 0.5552345), wk = 0.0020877 k( 329) = ( 0.2051282 0.3552925 0.5552345), wk = 0.0020877 k( 330) = ( 0.2000000 0.3464102 0.5552345), wk = 0.0020877 k( 331) = ( 0.1948718 0.3375278 0.5552345), wk = 0.0020877 k( 332) = ( 0.1897436 0.3286455 0.5552345), wk = 0.0020877 k( 333) = ( 0.1846154 0.3197632 0.5552345), wk = 0.0020877 k( 334) = ( 0.1794872 0.3108809 0.5552345), wk = 0.0020877 k( 335) = ( 0.1743590 0.3019986 0.5552345), wk = 0.0020877 k( 336) = ( 0.1692308 0.2931163 0.5552345), wk = 0.0020877 k( 337) = ( 0.1641026 0.2842340 0.5552345), wk = 0.0020877 k( 338) = ( 0.1589744 0.2753517 0.5552345), wk = 0.0020877 k( 339) = ( 0.1538461 0.2664693 0.5552345), wk = 0.0020877 k( 340) = ( 0.1487179 0.2575870 0.5552345), wk = 0.0020877 k( 341) = ( 0.1435897 0.2487047 0.5552345), wk = 0.0020877 k( 342) = ( 0.1384615 0.2398224 0.5552345), wk = 0.0020877 k( 343) = ( 0.1333333 0.2309401 0.5552345), wk = 0.0020877 k( 344) = ( 0.1282051 0.2220578 0.5552345), wk = 0.0020877 k( 345) = ( 0.1230769 0.2131755 0.5552345), wk = 0.0020877 k( 346) = ( 0.1179487 0.2042932 0.5552345), wk = 0.0020877 k( 347) = ( 0.1128205 0.1954109 0.5552345), wk = 0.0020877 k( 348) = ( 0.1076923 0.1865286 0.5552345), wk = 0.0020877 k( 349) = ( 0.1025641 0.1776462 0.5552345), wk = 0.0020877 k( 350) = ( 0.0974359 0.1687639 0.5552345), wk = 0.0020877 k( 351) = ( 0.0923077 0.1598816 0.5552345), wk = 0.0020877 k( 352) = ( 0.0871795 0.1509993 0.5552345), wk = 0.0020877 k( 353) = ( 0.0820513 0.1421170 0.5552345), wk = 0.0020877 k( 354) = ( 0.0769231 0.1332347 0.5552345), wk = 0.0020877 k( 355) = ( 0.0717949 0.1243524 0.5552345), wk = 0.0020877 k( 356) = ( 0.0666667 0.1154701 0.5552345), wk = 0.0020877 k( 357) = ( 0.0615385 0.1065877 0.5552345), wk = 0.0020877 k( 358) = ( 0.0564103 0.0977054 0.5552345), wk = 0.0020877 k( 359) = ( 0.0512821 0.0888231 0.5552345), wk = 0.0020877 k( 360) = ( 0.0461539 0.0799408 0.5552345), wk = 0.0020877 k( 361) = ( 0.0410256 0.0710585 0.5552345), wk = 0.0020877 k( 362) = ( 0.0358974 0.0621762 0.5552345), wk = 0.0020877 k( 363) = ( 0.0307692 0.0532939 0.5552345), wk = 0.0020877 k( 364) = ( 0.0256410 0.0444116 0.5552345), wk = 0.0020877 k( 365) = ( 0.0205128 0.0355292 0.5552345), wk = 0.0020877 k( 366) = ( 0.0153846 0.0266469 0.5552345), wk = 0.0020877 k( 367) = ( 0.0102564 0.0177646 0.5552345), wk = 0.0020877 k( 368) = ( 0.0051282 0.0088823 0.5552345), wk = 0.0020877 k( 369) = ( 0.0000000 0.0000000 0.5552345), wk = 0.0020877 k( 370) = ( 0.5000000 0.2886751 0.5552345), wk = 0.0020877 k( 371) = ( 0.5000000 0.2886751 0.5449524), wk = 0.0020877 k( 372) = ( 0.5000000 0.2886751 0.5346703), wk = 0.0020877 k( 373) = ( 0.5000000 0.2886751 0.5243882), wk = 0.0020877 k( 374) = ( 0.5000000 0.2886751 0.5141060), wk = 0.0020877 k( 375) = ( 0.5000000 0.2886751 0.5038239), wk = 0.0020877 k( 376) = ( 0.5000000 0.2886751 0.4935418), wk = 0.0020877 k( 377) = ( 0.5000000 0.2886751 0.4832597), wk = 0.0020877 k( 378) = ( 0.5000000 0.2886751 0.4729776), wk = 0.0020877 k( 379) = ( 0.5000000 0.2886751 0.4626954), wk = 0.0020877 k( 380) = ( 0.5000000 0.2886751 0.4524133), wk = 0.0020877 k( 381) = ( 0.5000000 0.2886751 0.4421312), wk = 0.0020877 k( 382) = ( 0.5000000 0.2886751 0.4318491), wk = 0.0020877 k( 383) = ( 0.5000000 0.2886751 0.4215670), wk = 0.0020877 k( 384) = ( 0.5000000 0.2886751 0.4112848), wk = 0.0020877 k( 385) = ( 0.5000000 0.2886751 0.4010027), wk = 0.0020877 k( 386) = ( 0.5000000 0.2886751 0.3907206), wk = 0.0020877 k( 387) = ( 0.5000000 0.2886751 0.3804385), wk = 0.0020877 k( 388) = ( 0.5000000 0.2886751 0.3701564), wk = 0.0020877 k( 389) = ( 0.5000000 0.2886751 0.3598742), wk = 0.0020877 k( 390) = ( 0.5000000 0.2886751 0.3495921), wk = 0.0020877 k( 391) = ( 0.5000000 0.2886751 0.3393100), wk = 0.0020877 k( 392) = ( 0.5000000 0.2886751 0.3290279), wk = 0.0020877 k( 393) = ( 0.5000000 0.2886751 0.3187458), wk = 0.0020877 k( 394) = ( 0.5000000 0.2886751 0.3084636), wk = 0.0020877 k( 395) = ( 0.5000000 0.2886751 0.2981815), wk = 0.0020877 k( 396) = ( 0.5000000 0.2886751 0.2878994), wk = 0.0020877 k( 397) = ( 0.5000000 0.2886751 0.2776173), wk = 0.0020877 k( 398) = ( 0.5000000 0.2886751 0.2673351), wk = 0.0020877 k( 399) = ( 0.5000000 0.2886751 0.2570530), wk = 0.0020877 k( 400) = ( 0.5000000 0.2886751 0.2467709), wk = 0.0020877 k( 401) = ( 0.5000000 0.2886751 0.2364888), wk = 0.0020877 k( 402) = ( 0.5000000 0.2886751 0.2262067), wk = 0.0020877 k( 403) = ( 0.5000000 0.2886751 0.2159245), wk = 0.0020877 k( 404) = ( 0.5000000 0.2886751 0.2056424), wk = 0.0020877 k( 405) = ( 0.5000000 0.2886751 0.1953603), wk = 0.0020877 k( 406) = ( 0.5000000 0.2886751 0.1850782), wk = 0.0020877 k( 407) = ( 0.5000000 0.2886751 0.1747961), wk = 0.0020877 k( 408) = ( 0.5000000 0.2886751 0.1645139), wk = 0.0020877 k( 409) = ( 0.5000000 0.2886751 0.1542318), wk = 0.0020877 k( 410) = ( 0.5000000 0.2886751 0.1439497), wk = 0.0020877 k( 411) = ( 0.5000000 0.2886751 0.1336676), wk = 0.0020877 k( 412) = ( 0.5000000 0.2886751 0.1233855), wk = 0.0020877 k( 413) = ( 0.5000000 0.2886751 0.1131033), wk = 0.0020877 k( 414) = ( 0.5000000 0.2886751 0.1028212), wk = 0.0020877 k( 415) = ( 0.5000000 0.2886751 0.0925391), wk = 0.0020877 k( 416) = ( 0.5000000 0.2886751 0.0822570), wk = 0.0020877 k( 417) = ( 0.5000000 0.2886751 0.0719748), wk = 0.0020877 k( 418) = ( 0.5000000 0.2886751 0.0616927), wk = 0.0020877 k( 419) = ( 0.5000000 0.2886751 0.0514106), wk = 0.0020877 k( 420) = ( 0.5000000 0.2886751 0.0411285), wk = 0.0020877 k( 421) = ( 0.5000000 0.2886751 0.0308464), wk = 0.0020877 k( 422) = ( 0.5000000 0.2886751 0.0205642), wk = 0.0020877 k( 423) = ( 0.5000000 0.2886751 0.0102821), wk = 0.0020877 k( 424) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020877 k( 425) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020877 k( 426) = ( 0.3333333 0.5773503 0.0102821), wk = 0.0020877 k( 427) = ( 0.3333333 0.5773503 0.0205642), wk = 0.0020877 k( 428) = ( 0.3333333 0.5773503 0.0308464), wk = 0.0020877 k( 429) = ( 0.3333333 0.5773503 0.0411285), wk = 0.0020877 k( 430) = ( 0.3333333 0.5773503 0.0514106), wk = 0.0020877 k( 431) = ( 0.3333333 0.5773503 0.0616927), wk = 0.0020877 k( 432) = ( 0.3333333 0.5773503 0.0719748), wk = 0.0020877 k( 433) = ( 0.3333333 0.5773503 0.0822570), wk = 0.0020877 k( 434) = ( 0.3333333 0.5773503 0.0925391), wk = 0.0020877 k( 435) = ( 0.3333333 0.5773503 0.1028212), wk = 0.0020877 k( 436) = ( 0.3333333 0.5773503 0.1131033), wk = 0.0020877 k( 437) = ( 0.3333333 0.5773503 0.1233855), wk = 0.0020877 k( 438) = ( 0.3333333 0.5773503 0.1336676), wk = 0.0020877 k( 439) = ( 0.3333333 0.5773503 0.1439497), wk = 0.0020877 k( 440) = ( 0.3333333 0.5773503 0.1542318), wk = 0.0020877 k( 441) = ( 0.3333333 0.5773503 0.1645139), wk = 0.0020877 k( 442) = ( 0.3333333 0.5773503 0.1747961), wk = 0.0020877 k( 443) = ( 0.3333333 0.5773503 0.1850782), wk = 0.0020877 k( 444) = ( 0.3333333 0.5773503 0.1953603), wk = 0.0020877 k( 445) = ( 0.3333333 0.5773503 0.2056424), wk = 0.0020877 k( 446) = ( 0.3333333 0.5773503 0.2159245), wk = 0.0020877 k( 447) = ( 0.3333333 0.5773503 0.2262067), wk = 0.0020877 k( 448) = ( 0.3333333 0.5773503 0.2364888), wk = 0.0020877 k( 449) = ( 0.3333333 0.5773503 0.2467709), wk = 0.0020877 k( 450) = ( 0.3333333 0.5773503 0.2570530), wk = 0.0020877 k( 451) = ( 0.3333333 0.5773503 0.2673351), wk = 0.0020877 k( 452) = ( 0.3333333 0.5773503 0.2776173), wk = 0.0020877 k( 453) = ( 0.3333333 0.5773503 0.2878994), wk = 0.0020877 k( 454) = ( 0.3333333 0.5773503 0.2981815), wk = 0.0020877 k( 455) = ( 0.3333333 0.5773503 0.3084636), wk = 0.0020877 k( 456) = ( 0.3333333 0.5773503 0.3187458), wk = 0.0020877 k( 457) = ( 0.3333333 0.5773503 0.3290279), wk = 0.0020877 k( 458) = ( 0.3333333 0.5773503 0.3393100), wk = 0.0020877 k( 459) = ( 0.3333333 0.5773503 0.3495921), wk = 0.0020877 k( 460) = ( 0.3333333 0.5773503 0.3598742), wk = 0.0020877 k( 461) = ( 0.3333333 0.5773503 0.3701564), wk = 0.0020877 k( 462) = ( 0.3333333 0.5773503 0.3804385), wk = 0.0020877 k( 463) = ( 0.3333333 0.5773503 0.3907206), wk = 0.0020877 k( 464) = ( 0.3333333 0.5773503 0.4010027), wk = 0.0020877 k( 465) = ( 0.3333333 0.5773503 0.4112848), wk = 0.0020877 k( 466) = ( 0.3333333 0.5773503 0.4215670), wk = 0.0020877 k( 467) = ( 0.3333333 0.5773503 0.4318491), wk = 0.0020877 k( 468) = ( 0.3333333 0.5773503 0.4421312), wk = 0.0020877 k( 469) = ( 0.3333333 0.5773503 0.4524133), wk = 0.0020877 k( 470) = ( 0.3333333 0.5773503 0.4626954), wk = 0.0020877 k( 471) = ( 0.3333333 0.5773503 0.4729776), wk = 0.0020877 k( 472) = ( 0.3333333 0.5773503 0.4832597), wk = 0.0020877 k( 473) = ( 0.3333333 0.5773503 0.4935418), wk = 0.0020877 k( 474) = ( 0.3333333 0.5773503 0.5038239), wk = 0.0020877 k( 475) = ( 0.3333333 0.5773503 0.5141060), wk = 0.0020877 k( 476) = ( 0.3333333 0.5773503 0.5243882), wk = 0.0020877 k( 477) = ( 0.3333333 0.5773503 0.5346703), wk = 0.0020877 k( 478) = ( 0.3333333 0.5773503 0.5449524), wk = 0.0020877 k( 479) = ( 0.3333333 0.5773503 0.5552345), wk = 0.0020877 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 2) = ( 0.0089286 -0.0000000 0.0000000), wk = 0.0020877 k( 3) = ( 0.0178571 -0.0000000 0.0000000), wk = 0.0020877 k( 4) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0020877 k( 5) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0020877 k( 6) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0020877 k( 7) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0020877 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0020877 k( 9) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0020877 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0020877 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0020877 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0020877 k( 13) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0020877 k( 14) = ( 0.1160714 0.0000000 -0.0000000), wk = 0.0020877 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0020877 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0020877 k( 17) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0020877 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0020877 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0020877 k( 20) = ( 0.1696429 0.0000000 -0.0000000), wk = 0.0020877 k( 21) = ( 0.1785714 0.0000000 -0.0000000), wk = 0.0020877 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0020877 k( 23) = ( 0.1964286 0.0000000 -0.0000000), wk = 0.0020877 k( 24) = ( 0.2053571 0.0000000 0.0000000), wk = 0.0020877 k( 25) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0020877 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0020877 k( 27) = ( 0.2321429 0.0000000 -0.0000000), wk = 0.0020877 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0020877 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0020877 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0020877 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0020877 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0020877 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0020877 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0020877 k( 35) = ( 0.3035714 -0.0000000 -0.0000000), wk = 0.0020877 k( 36) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0020877 k( 37) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0020877 k( 38) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0020877 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0020877 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0020877 k( 41) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0020877 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0020877 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0020877 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0020877 k( 45) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0020877 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0020877 k( 47) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0020877 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0020877 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0020877 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0020877 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0020877 k( 52) = ( 0.4553571 0.0000000 -0.0000000), wk = 0.0020877 k( 53) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0020877 k( 54) = ( 0.4732143 0.0000000 -0.0000000), wk = 0.0020877 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0020877 k( 56) = ( 0.4910714 0.0000000 0.0000000), wk = 0.0020877 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020877 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020877 k( 59) = ( 0.4949495 0.0101010 0.0000000), wk = 0.0020877 k( 60) = ( 0.4898990 0.0202020 0.0000000), wk = 0.0020877 k( 61) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0020877 k( 62) = ( 0.4797980 0.0404040 -0.0000000), wk = 0.0020877 k( 63) = ( 0.4747475 0.0505050 -0.0000000), wk = 0.0020877 k( 64) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0020877 k( 65) = ( 0.4646465 0.0707071 0.0000000), wk = 0.0020877 k( 66) = ( 0.4595960 0.0808081 0.0000000), wk = 0.0020877 k( 67) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0020877 k( 68) = ( 0.4494950 0.1010101 0.0000000), wk = 0.0020877 k( 69) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0020877 k( 70) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0020877 k( 71) = ( 0.4343434 0.1313131 -0.0000000), wk = 0.0020877 k( 72) = ( 0.4292929 0.1414141 0.0000000), wk = 0.0020877 k( 73) = ( 0.4242424 0.1515151 0.0000000), wk = 0.0020877 k( 74) = ( 0.4191919 0.1616162 -0.0000000), wk = 0.0020877 k( 75) = ( 0.4141414 0.1717172 0.0000000), wk = 0.0020877 k( 76) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0020877 k( 77) = ( 0.4040404 0.1919192 -0.0000000), wk = 0.0020877 k( 78) = ( 0.3989899 0.2020202 0.0000000), wk = 0.0020877 k( 79) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0020877 k( 80) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0020877 k( 81) = ( 0.3838384 0.2323232 0.0000000), wk = 0.0020877 k( 82) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0020877 k( 83) = ( 0.3737374 0.2525252 0.0000000), wk = 0.0020877 k( 84) = ( 0.3686869 0.2626263 0.0000000), wk = 0.0020877 k( 85) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0020877 k( 86) = ( 0.3585859 0.2828283 -0.0000000), wk = 0.0020877 k( 87) = ( 0.3535354 0.2929293 0.0000000), wk = 0.0020877 k( 88) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0020877 k( 89) = ( 0.3434343 0.3131313 0.0000000), wk = 0.0020877 k( 90) = ( 0.3383838 0.3232323 0.0000000), wk = 0.0020877 k( 91) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020877 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020877 k( 93) = ( 0.3282051 0.3282051 0.0000000), wk = 0.0020877 k( 94) = ( 0.3230769 0.3230769 0.0000000), wk = 0.0020877 k( 95) = ( 0.3179487 0.3179487 0.0000000), wk = 0.0020877 k( 96) = ( 0.3128205 0.3128205 0.0000000), wk = 0.0020877 k( 97) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0020877 k( 98) = ( 0.3025641 0.3025641 0.0000000), wk = 0.0020877 k( 99) = ( 0.2974359 0.2974359 0.0000000), wk = 0.0020877 k( 100) = ( 0.2923077 0.2923077 0.0000000), wk = 0.0020877 k( 101) = ( 0.2871795 0.2871795 -0.0000000), wk = 0.0020877 k( 102) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0020877 k( 103) = ( 0.2769231 0.2769231 0.0000000), wk = 0.0020877 k( 104) = ( 0.2717949 0.2717949 -0.0000000), wk = 0.0020877 k( 105) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0020877 k( 106) = ( 0.2615385 0.2615385 0.0000000), wk = 0.0020877 k( 107) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0020877 k( 108) = ( 0.2512820 0.2512820 -0.0000000), wk = 0.0020877 k( 109) = ( 0.2461539 0.2461538 -0.0000000), wk = 0.0020877 k( 110) = ( 0.2410256 0.2410256 -0.0000000), wk = 0.0020877 k( 111) = ( 0.2358974 0.2358974 -0.0000000), wk = 0.0020877 k( 112) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0020877 k( 113) = ( 0.2256410 0.2256410 0.0000000), wk = 0.0020877 k( 114) = ( 0.2205128 0.2205128 0.0000000), wk = 0.0020877 k( 115) = ( 0.2153846 0.2153846 0.0000000), wk = 0.0020877 k( 116) = ( 0.2102564 0.2102564 0.0000000), wk = 0.0020877 k( 117) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0020877 k( 118) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0020877 k( 119) = ( 0.1948718 0.1948718 -0.0000000), wk = 0.0020877 k( 120) = ( 0.1897436 0.1897436 -0.0000000), wk = 0.0020877 k( 121) = ( 0.1846154 0.1846154 -0.0000000), wk = 0.0020877 k( 122) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0020877 k( 123) = ( 0.1743590 0.1743590 -0.0000000), wk = 0.0020877 k( 124) = ( 0.1692308 0.1692308 0.0000000), wk = 0.0020877 k( 125) = ( 0.1641026 0.1641026 -0.0000000), wk = 0.0020877 k( 126) = ( 0.1589744 0.1589744 0.0000000), wk = 0.0020877 k( 127) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0020877 k( 128) = ( 0.1487179 0.1487179 0.0000000), wk = 0.0020877 k( 129) = ( 0.1435897 0.1435897 0.0000000), wk = 0.0020877 k( 130) = ( 0.1384615 0.1384615 0.0000000), wk = 0.0020877 k( 131) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0020877 k( 132) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0020877 k( 133) = ( 0.1230769 0.1230769 -0.0000000), wk = 0.0020877 k( 134) = ( 0.1179487 0.1179487 -0.0000000), wk = 0.0020877 k( 135) = ( 0.1128205 0.1128205 -0.0000000), wk = 0.0020877 k( 136) = ( 0.1076923 0.1076923 0.0000000), wk = 0.0020877 k( 137) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0020877 k( 138) = ( 0.0974359 0.0974359 0.0000000), wk = 0.0020877 k( 139) = ( 0.0923077 0.0923077 -0.0000000), wk = 0.0020877 k( 140) = ( 0.0871795 0.0871795 -0.0000000), wk = 0.0020877 k( 141) = ( 0.0820513 0.0820513 -0.0000000), wk = 0.0020877 k( 142) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0020877 k( 143) = ( 0.0717949 0.0717949 0.0000000), wk = 0.0020877 k( 144) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0020877 k( 145) = ( 0.0615385 0.0615385 -0.0000000), wk = 0.0020877 k( 146) = ( 0.0564103 0.0564103 -0.0000000), wk = 0.0020877 k( 147) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0020877 k( 148) = ( 0.0461539 0.0461539 -0.0000000), wk = 0.0020877 k( 149) = ( 0.0410256 0.0410256 -0.0000000), wk = 0.0020877 k( 150) = ( 0.0358974 0.0358974 0.0000000), wk = 0.0020877 k( 151) = ( 0.0307692 0.0307692 -0.0000000), wk = 0.0020877 k( 152) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0020877 k( 153) = ( 0.0205128 0.0205128 -0.0000000), wk = 0.0020877 k( 154) = ( 0.0153846 0.0153846 -0.0000000), wk = 0.0020877 k( 155) = ( 0.0102564 0.0102564 -0.0000000), wk = 0.0020877 k( 156) = ( 0.0051282 0.0051282 0.0000000), wk = 0.0020877 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 159) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0020877 k( 160) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0020877 k( 161) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0020877 k( 162) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0020877 k( 163) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0020877 k( 164) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0020877 k( 165) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0020877 k( 166) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0020877 k( 167) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0020877 k( 168) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0020877 k( 169) = ( 0.0000000 0.0000000 0.1018519), wk = 0.0020877 k( 170) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0020877 k( 171) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0020877 k( 172) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0020877 k( 173) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0020877 k( 174) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0020877 k( 175) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0020877 k( 176) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020877 k( 177) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0020877 k( 178) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0020877 k( 179) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0020877 k( 180) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0020877 k( 181) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0020877 k( 182) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0020877 k( 183) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0020877 k( 184) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0020877 k( 185) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020877 k( 186) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0020877 k( 187) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0020877 k( 188) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0020877 k( 189) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0020877 k( 190) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0020877 k( 191) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0020877 k( 192) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0020877 k( 193) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0020877 k( 194) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020877 k( 195) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0020877 k( 196) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0020877 k( 197) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0020877 k( 198) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0020877 k( 199) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0020877 k( 200) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0020877 k( 201) = ( 0.0000000 0.0000000 0.3981482), wk = 0.0020877 k( 202) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0020877 k( 203) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0020877 k( 204) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0020877 k( 205) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0020877 k( 206) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0020877 k( 207) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0020877 k( 208) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0020877 k( 209) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0020877 k( 210) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0020877 k( 211) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0020877 k( 212) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020877 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020877 k( 214) = ( 0.0089286 -0.0000000 0.5000000), wk = 0.0020877 k( 215) = ( 0.0178571 -0.0000000 0.5000000), wk = 0.0020877 k( 216) = ( 0.0267857 0.0000000 0.5000000), wk = 0.0020877 k( 217) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0020877 k( 218) = ( 0.0446429 0.0000000 0.5000000), wk = 0.0020877 k( 219) = ( 0.0535714 -0.0000000 0.5000000), wk = 0.0020877 k( 220) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0020877 k( 221) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0020877 k( 222) = ( 0.0803571 0.0000000 0.5000000), wk = 0.0020877 k( 223) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0020877 k( 224) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0020877 k( 225) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0020877 k( 226) = ( 0.1160714 0.0000000 0.5000000), wk = 0.0020877 k( 227) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0020877 k( 228) = ( 0.1339286 0.0000000 0.5000000), wk = 0.0020877 k( 229) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0020877 k( 230) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0020877 k( 231) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0020877 k( 232) = ( 0.1696429 0.0000000 0.5000000), wk = 0.0020877 k( 233) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0020877 k( 234) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0020877 k( 235) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0020877 k( 236) = ( 0.2053571 0.0000000 0.5000000), wk = 0.0020877 k( 237) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0020877 k( 238) = ( 0.2232143 0.0000000 0.5000000), wk = 0.0020877 k( 239) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0020877 k( 240) = ( 0.2410714 0.0000000 0.5000000), wk = 0.0020877 k( 241) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020877 k( 242) = ( 0.2589286 0.0000000 0.5000000), wk = 0.0020877 k( 243) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0020877 k( 244) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0020877 k( 245) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0020877 k( 246) = ( 0.2946429 0.0000000 0.5000000), wk = 0.0020877 k( 247) = ( 0.3035714 -0.0000000 0.5000000), wk = 0.0020877 k( 248) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0020877 k( 249) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0020877 k( 250) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0020877 k( 251) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0020877 k( 252) = ( 0.3482143 0.0000000 0.5000000), wk = 0.0020877 k( 253) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0020877 k( 254) = ( 0.3660714 0.0000000 0.5000000), wk = 0.0020877 k( 255) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0020877 k( 256) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0020877 k( 257) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0020877 k( 258) = ( 0.4017857 0.0000000 0.5000000), wk = 0.0020877 k( 259) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0020877 k( 260) = ( 0.4196429 0.0000000 0.5000000), wk = 0.0020877 k( 261) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0020877 k( 262) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0020877 k( 263) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0020877 k( 264) = ( 0.4553571 0.0000000 0.5000000), wk = 0.0020877 k( 265) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0020877 k( 266) = ( 0.4732143 0.0000000 0.5000000), wk = 0.0020877 k( 267) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0020877 k( 268) = ( 0.4910714 0.0000000 0.5000000), wk = 0.0020877 k( 269) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020877 k( 270) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020877 k( 271) = ( 0.4949495 0.0101010 0.5000000), wk = 0.0020877 k( 272) = ( 0.4898990 0.0202020 0.5000000), wk = 0.0020877 k( 273) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0020877 k( 274) = ( 0.4797980 0.0404040 0.5000000), wk = 0.0020877 k( 275) = ( 0.4747475 0.0505050 0.5000000), wk = 0.0020877 k( 276) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0020877 k( 277) = ( 0.4646465 0.0707071 0.5000000), wk = 0.0020877 k( 278) = ( 0.4595960 0.0808081 0.5000000), wk = 0.0020877 k( 279) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0020877 k( 280) = ( 0.4494950 0.1010101 0.5000000), wk = 0.0020877 k( 281) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0020877 k( 282) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0020877 k( 283) = ( 0.4343434 0.1313131 0.5000000), wk = 0.0020877 k( 284) = ( 0.4292929 0.1414141 0.5000000), wk = 0.0020877 k( 285) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0020877 k( 286) = ( 0.4191919 0.1616162 0.5000000), wk = 0.0020877 k( 287) = ( 0.4141414 0.1717172 0.5000000), wk = 0.0020877 k( 288) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0020877 k( 289) = ( 0.4040404 0.1919192 0.5000000), wk = 0.0020877 k( 290) = ( 0.3989899 0.2020202 0.5000000), wk = 0.0020877 k( 291) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0020877 k( 292) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0020877 k( 293) = ( 0.3838384 0.2323232 0.5000000), wk = 0.0020877 k( 294) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0020877 k( 295) = ( 0.3737374 0.2525252 0.5000000), wk = 0.0020877 k( 296) = ( 0.3686869 0.2626263 0.5000000), wk = 0.0020877 k( 297) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0020877 k( 298) = ( 0.3585859 0.2828283 0.5000000), wk = 0.0020877 k( 299) = ( 0.3535354 0.2929293 0.5000000), wk = 0.0020877 k( 300) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0020877 k( 301) = ( 0.3434343 0.3131313 0.5000000), wk = 0.0020877 k( 302) = ( 0.3383838 0.3232323 0.5000000), wk = 0.0020877 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020877 k( 304) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020877 k( 305) = ( 0.3282051 0.3282051 0.5000000), wk = 0.0020877 k( 306) = ( 0.3230769 0.3230769 0.5000000), wk = 0.0020877 k( 307) = ( 0.3179487 0.3179487 0.5000000), wk = 0.0020877 k( 308) = ( 0.3128205 0.3128205 0.5000000), wk = 0.0020877 k( 309) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0020877 k( 310) = ( 0.3025641 0.3025641 0.5000000), wk = 0.0020877 k( 311) = ( 0.2974359 0.2974359 0.5000000), wk = 0.0020877 k( 312) = ( 0.2923077 0.2923077 0.5000000), wk = 0.0020877 k( 313) = ( 0.2871795 0.2871795 0.5000000), wk = 0.0020877 k( 314) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0020877 k( 315) = ( 0.2769231 0.2769231 0.5000000), wk = 0.0020877 k( 316) = ( 0.2717949 0.2717949 0.5000000), wk = 0.0020877 k( 317) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0020877 k( 318) = ( 0.2615385 0.2615385 0.5000000), wk = 0.0020877 k( 319) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0020877 k( 320) = ( 0.2512820 0.2512820 0.5000000), wk = 0.0020877 k( 321) = ( 0.2461539 0.2461538 0.5000000), wk = 0.0020877 k( 322) = ( 0.2410256 0.2410256 0.5000000), wk = 0.0020877 k( 323) = ( 0.2358974 0.2358974 0.5000000), wk = 0.0020877 k( 324) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0020877 k( 325) = ( 0.2256410 0.2256410 0.5000000), wk = 0.0020877 k( 326) = ( 0.2205128 0.2205128 0.5000000), wk = 0.0020877 k( 327) = ( 0.2153846 0.2153846 0.5000000), wk = 0.0020877 k( 328) = ( 0.2102564 0.2102564 0.5000000), wk = 0.0020877 k( 329) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0020877 k( 330) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0020877 k( 331) = ( 0.1948718 0.1948718 0.5000000), wk = 0.0020877 k( 332) = ( 0.1897436 0.1897436 0.5000000), wk = 0.0020877 k( 333) = ( 0.1846154 0.1846154 0.5000000), wk = 0.0020877 k( 334) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0020877 k( 335) = ( 0.1743590 0.1743590 0.5000000), wk = 0.0020877 k( 336) = ( 0.1692308 0.1692308 0.5000000), wk = 0.0020877 k( 337) = ( 0.1641026 0.1641026 0.5000000), wk = 0.0020877 k( 338) = ( 0.1589744 0.1589744 0.5000000), wk = 0.0020877 k( 339) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0020877 k( 340) = ( 0.1487179 0.1487179 0.5000000), wk = 0.0020877 k( 341) = ( 0.1435897 0.1435897 0.5000000), wk = 0.0020877 k( 342) = ( 0.1384615 0.1384615 0.5000000), wk = 0.0020877 k( 343) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0020877 k( 344) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0020877 k( 345) = ( 0.1230769 0.1230769 0.5000000), wk = 0.0020877 k( 346) = ( 0.1179487 0.1179487 0.5000000), wk = 0.0020877 k( 347) = ( 0.1128205 0.1128205 0.5000000), wk = 0.0020877 k( 348) = ( 0.1076923 0.1076923 0.5000000), wk = 0.0020877 k( 349) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0020877 k( 350) = ( 0.0974359 0.0974359 0.5000000), wk = 0.0020877 k( 351) = ( 0.0923077 0.0923077 0.5000000), wk = 0.0020877 k( 352) = ( 0.0871795 0.0871795 0.5000000), wk = 0.0020877 k( 353) = ( 0.0820513 0.0820513 0.5000000), wk = 0.0020877 k( 354) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0020877 k( 355) = ( 0.0717949 0.0717949 0.5000000), wk = 0.0020877 k( 356) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0020877 k( 357) = ( 0.0615385 0.0615385 0.5000000), wk = 0.0020877 k( 358) = ( 0.0564103 0.0564103 0.5000000), wk = 0.0020877 k( 359) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0020877 k( 360) = ( 0.0461539 0.0461539 0.5000000), wk = 0.0020877 k( 361) = ( 0.0410256 0.0410256 0.5000000), wk = 0.0020877 k( 362) = ( 0.0358974 0.0358974 0.5000000), wk = 0.0020877 k( 363) = ( 0.0307692 0.0307692 0.5000000), wk = 0.0020877 k( 364) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0020877 k( 365) = ( 0.0205128 0.0205128 0.5000000), wk = 0.0020877 k( 366) = ( 0.0153846 0.0153846 0.5000000), wk = 0.0020877 k( 367) = ( 0.0102564 0.0102564 0.5000000), wk = 0.0020877 k( 368) = ( 0.0051282 0.0051282 0.5000000), wk = 0.0020877 k( 369) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020877 k( 370) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020877 k( 371) = ( 0.5000000 0.0000000 0.4907407), wk = 0.0020877 k( 372) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0020877 k( 373) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0020877 k( 374) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0020877 k( 375) = ( 0.5000000 0.0000000 0.4537037), wk = 0.0020877 k( 376) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0020877 k( 377) = ( 0.5000000 0.0000000 0.4351852), wk = 0.0020877 k( 378) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0020877 k( 379) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0020877 k( 380) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0020877 k( 381) = ( 0.5000000 0.0000000 0.3981482), wk = 0.0020877 k( 382) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0020877 k( 383) = ( 0.5000000 0.0000000 0.3796296), wk = 0.0020877 k( 384) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0020877 k( 385) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0020877 k( 386) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0020877 k( 387) = ( 0.5000000 0.0000000 0.3425926), wk = 0.0020877 k( 388) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0020877 k( 389) = ( 0.5000000 0.0000000 0.3240741), wk = 0.0020877 k( 390) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0020877 k( 391) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0020877 k( 392) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0020877 k( 393) = ( 0.5000000 0.0000000 0.2870370), wk = 0.0020877 k( 394) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0020877 k( 395) = ( 0.5000000 0.0000000 0.2685185), wk = 0.0020877 k( 396) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0020877 k( 397) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020877 k( 398) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0020877 k( 399) = ( 0.5000000 0.0000000 0.2314815), wk = 0.0020877 k( 400) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0020877 k( 401) = ( 0.5000000 0.0000000 0.2129630), wk = 0.0020877 k( 402) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0020877 k( 403) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0020877 k( 404) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0020877 k( 405) = ( 0.5000000 0.0000000 0.1759259), wk = 0.0020877 k( 406) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0020877 k( 407) = ( 0.5000000 0.0000000 0.1574074), wk = 0.0020877 k( 408) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0020877 k( 409) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0020877 k( 410) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0020877 k( 411) = ( 0.5000000 0.0000000 0.1203704), wk = 0.0020877 k( 412) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0020877 k( 413) = ( 0.5000000 0.0000000 0.1018518), wk = 0.0020877 k( 414) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0020877 k( 415) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0020877 k( 416) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0020877 k( 417) = ( 0.5000000 0.0000000 0.0648148), wk = 0.0020877 k( 418) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0020877 k( 419) = ( 0.5000000 0.0000000 0.0462963), wk = 0.0020877 k( 420) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0020877 k( 421) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0020877 k( 422) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0020877 k( 423) = ( 0.5000000 0.0000000 0.0092593), wk = 0.0020877 k( 424) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020877 k( 425) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020877 k( 426) = ( 0.3333333 0.3333333 0.0092593), wk = 0.0020877 k( 427) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0020877 k( 428) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0020877 k( 429) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0020877 k( 430) = ( 0.3333333 0.3333333 0.0462963), wk = 0.0020877 k( 431) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0020877 k( 432) = ( 0.3333333 0.3333333 0.0648148), wk = 0.0020877 k( 433) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0020877 k( 434) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0020877 k( 435) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0020877 k( 436) = ( 0.3333333 0.3333333 0.1018519), wk = 0.0020877 k( 437) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0020877 k( 438) = ( 0.3333333 0.3333333 0.1203704), wk = 0.0020877 k( 439) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0020877 k( 440) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0020877 k( 441) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0020877 k( 442) = ( 0.3333333 0.3333333 0.1574074), wk = 0.0020877 k( 443) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0020877 k( 444) = ( 0.3333333 0.3333333 0.1759259), wk = 0.0020877 k( 445) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0020877 k( 446) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0020877 k( 447) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0020877 k( 448) = ( 0.3333333 0.3333333 0.2129630), wk = 0.0020877 k( 449) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0020877 k( 450) = ( 0.3333333 0.3333333 0.2314815), wk = 0.0020877 k( 451) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0020877 k( 452) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0020877 k( 453) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0020877 k( 454) = ( 0.3333333 0.3333333 0.2685185), wk = 0.0020877 k( 455) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0020877 k( 456) = ( 0.3333333 0.3333333 0.2870370), wk = 0.0020877 k( 457) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0020877 k( 458) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0020877 k( 459) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0020877 k( 460) = ( 0.3333333 0.3333333 0.3240741), wk = 0.0020877 k( 461) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020877 k( 462) = ( 0.3333333 0.3333333 0.3425926), wk = 0.0020877 k( 463) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0020877 k( 464) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0020877 k( 465) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0020877 k( 466) = ( 0.3333333 0.3333333 0.3796296), wk = 0.0020877 k( 467) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0020877 k( 468) = ( 0.3333333 0.3333333 0.3981482), wk = 0.0020877 k( 469) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0020877 k( 470) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0020877 k( 471) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0020877 k( 472) = ( 0.3333333 0.3333333 0.4351852), wk = 0.0020877 k( 473) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0020877 k( 474) = ( 0.3333333 0.3333333 0.4537037), wk = 0.0020877 k( 475) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0020877 k( 476) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0020877 k( 477) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0020877 k( 478) = ( 0.3333333 0.3333333 0.4907407), wk = 0.0020877 k( 479) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020877 Dense grid: 18279 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 8287 G-vectors FFT dimensions: ( 27, 27, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 54, 24) NL pseudopotentials 0.02 Mb ( 27, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 384) G-vector shells 0.00 Mb ( 190) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 54, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.04 Mb ( 48, 2, 24) The potential is recalculated from file : ./HfC.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.6 secs Computing kpt #: 2 total cpu time spent up to now is 40.9 secs Computing kpt #: 3 total cpu time spent up to now is 41.1 secs Computing kpt #: 4 total cpu time spent up to now is 41.4 secs Computing kpt #: 5 total cpu time spent up to now is 41.6 secs Computing kpt #: 6 total cpu time spent up to now is 41.9 secs Computing kpt #: 7 total cpu time spent up to now is 42.2 secs Computing kpt #: 8 total cpu time spent up to now is 42.5 secs Computing kpt #: 9 total cpu time spent up to now is 42.8 secs Computing kpt #: 10 total cpu time spent up to now is 43.1 secs Computing kpt #: 11 total cpu time spent up to now is 43.3 secs Computing kpt #: 12 total cpu time spent up to now is 43.6 secs Computing kpt #: 13 total cpu time spent up to now is 43.9 secs Computing kpt #: 14 total cpu time spent up to now is 44.2 secs Computing kpt #: 15 total cpu time spent up to now is 44.4 secs Computing kpt #: 16 total cpu time spent up to now is 44.7 secs Computing kpt #: 17 total cpu time spent up to now is 44.9 secs Computing kpt #: 18 total cpu time spent up to now is 45.2 secs Computing kpt #: 19 total cpu time spent up to now is 45.5 secs Computing kpt #: 20 total cpu time spent up to now is 45.7 secs Computing kpt #: 21 total cpu time spent up to now is 46.0 secs Computing kpt #: 22 total cpu time spent up to now is 46.3 secs Computing kpt #: 23 total cpu time spent up to now is 46.6 secs Computing kpt #: 24 total cpu time spent up to now is 47.0 secs Computing kpt #: 25 total cpu time spent up to now is 47.4 secs Computing kpt #: 26 total cpu time spent up to now is 47.7 secs Computing kpt #: 27 total cpu time spent up to now is 47.9 secs Computing kpt #: 28 total cpu time spent up to now is 48.2 secs Computing kpt #: 29 total cpu time spent up to now is 48.4 secs Computing kpt #: 30 total cpu time spent up to now is 48.6 secs Computing kpt #: 31 total cpu time spent up to now is 48.9 secs Computing kpt #: 32 total cpu time spent up to now is 49.2 secs Computing kpt #: 33 total cpu time spent up to now is 49.6 secs Computing kpt #: 34 total cpu time spent up to now is 49.8 secs Computing kpt #: 35 total cpu time spent up to now is 50.1 secs Computing kpt #: 36 total cpu time spent up to now is 50.4 secs Computing kpt #: 37 total cpu time spent up to now is 51.0 secs Computing kpt #: 38 total cpu time spent up to now is 51.2 secs Computing kpt #: 39 total cpu time spent up to now is 51.6 secs Computing kpt #: 40 total cpu time spent up to now is 51.9 secs Computing kpt #: 41 total cpu time spent up to now is 52.2 secs Computing kpt #: 42 total cpu time spent up to now is 52.4 secs Computing kpt #: 43 total cpu time spent up to now is 52.6 secs Computing kpt #: 44 total cpu time spent up to now is 52.8 secs Computing kpt #: 45 total cpu time spent up to now is 53.1 secs Computing kpt #: 46 total cpu time spent up to now is 53.3 secs Computing kpt #: 47 total cpu time spent up to now is 53.6 secs Computing kpt #: 48 total cpu time spent up to now is 53.8 secs Computing kpt #: 49 total cpu time spent up to now is 53.9 secs Computing kpt #: 50 total cpu time spent up to now is 54.1 secs Computing kpt #: 51 total cpu time spent up to now is 54.3 secs Computing kpt #: 52 total cpu time spent up to now is 54.5 secs Computing kpt #: 53 total cpu time spent up to now is 54.7 secs Computing kpt #: 54 total cpu time spent up to now is 54.9 secs Computing kpt #: 55 total cpu time spent up to now is 55.1 secs Computing kpt #: 56 total cpu time spent up to now is 55.3 secs Computing kpt #: 57 total cpu time spent up to now is 55.5 secs Computing kpt #: 58 total cpu time spent up to now is 55.7 secs Computing kpt #: 59 total cpu time spent up to now is 55.9 secs Computing kpt #: 60 total cpu time spent up to now is 56.1 secs Computing kpt #: 61 total cpu time spent up to now is 56.3 secs Computing kpt #: 62 total cpu time spent up to now is 56.5 secs Computing kpt #: 63 total cpu time spent up to now is 56.7 secs Computing kpt #: 64 total cpu time spent up to now is 56.9 secs Computing kpt #: 65 total cpu time spent up to now is 57.1 secs Computing kpt #: 66 total cpu time spent up to now is 57.3 secs Computing kpt #: 67 total cpu time spent up to now is 57.5 secs Computing kpt #: 68 total cpu time spent up to now is 57.7 secs Computing kpt #: 69 total cpu time spent up to now is 57.9 secs Computing kpt #: 70 total cpu time spent up to now is 58.0 secs Computing kpt #: 71 total cpu time spent up to now is 58.2 secs Computing kpt #: 72 total cpu time spent up to now is 58.4 secs Computing kpt #: 73 total cpu time spent up to now is 58.6 secs Computing kpt #: 74 total cpu time spent up to now is 58.8 secs Computing kpt #: 75 total cpu time spent up to now is 59.0 secs Computing kpt #: 76 total cpu time spent up to now is 59.2 secs Computing kpt #: 77 total cpu time spent up to now is 59.4 secs Computing kpt #: 78 total cpu time spent up to now is 59.6 secs Computing kpt #: 79 total cpu time spent up to now is 59.8 secs Computing kpt #: 80 total cpu time spent up to now is 60.0 secs Computing kpt #: 81 total cpu time spent up to now is 60.2 secs Computing kpt #: 82 total cpu time spent up to now is 60.5 secs Computing kpt #: 83 total cpu time spent up to now is 60.7 secs Computing kpt #: 84 total cpu time spent up to now is 60.9 secs Computing kpt #: 85 total cpu time spent up to now is 61.2 secs Computing kpt #: 86 total cpu time spent up to now is 61.5 secs Computing kpt #: 87 total cpu time spent up to now is 61.8 secs Computing kpt #: 88 total cpu time spent up to now is 62.1 secs Computing kpt #: 89 total cpu time spent up to now is 62.3 secs Computing kpt #: 90 total cpu time spent up to now is 62.5 secs Computing kpt #: 91 total cpu time spent up to now is 62.7 secs Computing kpt #: 92 total cpu time spent up to now is 63.0 secs Computing kpt #: 93 total cpu time spent up to now is 63.1 secs Computing kpt #: 94 total cpu time spent up to now is 63.3 secs Computing kpt #: 95 total cpu time spent up to now is 63.5 secs Computing kpt #: 96 total cpu time spent up to now is 63.7 secs Computing kpt #: 97 total cpu time spent up to now is 63.9 secs Computing kpt #: 98 total cpu time spent up to now is 64.1 secs Computing kpt #: 99 total cpu time spent up to now is 64.3 secs Computing kpt #: 100 total cpu time spent up to now is 64.5 secs Computing kpt #: 101 total cpu time spent up to now is 64.7 secs Computing kpt #: 102 total cpu time spent up to now is 64.9 secs Computing kpt #: 103 total cpu time spent up to now is 65.1 secs Computing kpt #: 104 total cpu time spent up to now is 65.2 secs Computing kpt #: 105 total cpu time spent up to now is 65.4 secs Computing kpt #: 106 total cpu time spent up to now is 65.6 secs Computing kpt #: 107 total cpu time spent up to now is 65.9 secs Computing kpt #: 108 total cpu time spent up to now is 66.1 secs Computing kpt #: 109 total cpu time spent up to now is 66.4 secs Computing kpt #: 110 total cpu time spent up to now is 66.7 secs Computing kpt #: 111 total cpu time spent up to now is 66.9 secs Computing kpt #: 112 total cpu time spent up to now is 67.2 secs Computing kpt #: 113 total cpu time spent up to now is 67.5 secs Computing kpt #: 114 total cpu time spent up to now is 67.7 secs Computing kpt #: 115 total cpu time spent up to now is 68.0 secs Computing kpt #: 116 total cpu time spent up to now is 68.3 secs Computing kpt #: 117 total cpu time spent up to now is 68.6 secs Computing kpt #: 118 total cpu time spent up to now is 68.8 secs Computing kpt #: 119 total cpu time spent up to now is 69.0 secs Computing kpt #: 120 total cpu time spent up to now is 69.3 secs Computing kpt #: 121 total cpu time spent up to now is 69.5 secs Computing kpt #: 122 total cpu time spent up to now is 69.7 secs Computing kpt #: 123 total cpu time spent up to now is 69.9 secs Computing kpt #: 124 total cpu time spent up to now is 70.1 secs Computing kpt #: 125 total cpu time spent up to now is 70.3 secs Computing kpt #: 126 total cpu time spent up to now is 70.5 secs Computing kpt #: 127 total cpu time spent up to now is 70.7 secs Computing kpt #: 128 total cpu time spent up to now is 71.0 secs Computing kpt #: 129 total cpu time spent up to now is 71.2 secs Computing kpt #: 130 total cpu time spent up to now is 71.4 secs Computing kpt #: 131 total cpu time spent up to now is 71.6 secs Computing kpt #: 132 total cpu time spent up to now is 71.9 secs Computing kpt #: 133 total cpu time spent up to now is 72.1 secs Computing kpt #: 134 total cpu time spent up to now is 72.3 secs Computing kpt #: 135 total cpu time spent up to now is 72.7 secs Computing kpt #: 136 total cpu time spent up to now is 73.2 secs Computing kpt #: 137 total cpu time spent up to now is 73.9 secs Computing kpt #: 138 total cpu time spent up to now is 74.3 secs Computing kpt #: 139 total cpu time spent up to now is 74.6 secs Computing kpt #: 140 total cpu time spent up to now is 75.2 secs Computing kpt #: 141 total cpu time spent up to now is 75.8 secs Computing kpt #: 142 total cpu time spent up to now is 76.1 secs Computing kpt #: 143 total cpu time spent up to now is 76.7 secs Computing kpt #: 144 total cpu time spent up to now is 77.1 secs Computing kpt #: 145 total cpu time spent up to now is 77.4 secs Computing kpt #: 146 total cpu time spent up to now is 77.7 secs Computing kpt #: 147 total cpu time spent up to now is 78.0 secs Computing kpt #: 148 total cpu time spent up to now is 78.4 secs Computing kpt #: 149 total cpu time spent up to now is 78.7 secs Computing kpt #: 150 total cpu time spent up to now is 79.0 secs Computing kpt #: 151 total cpu time spent up to now is 79.4 secs Computing kpt #: 152 total cpu time spent up to now is 79.7 secs Computing kpt #: 153 total cpu time spent up to now is 80.0 secs Computing kpt #: 154 total cpu time spent up to now is 80.3 secs Computing kpt #: 155 total cpu time spent up to now is 80.6 secs Computing kpt #: 156 total cpu time spent up to now is 80.9 secs Computing kpt #: 157 total cpu time spent up to now is 81.1 secs Computing kpt #: 158 total cpu time spent up to now is 81.4 secs Computing kpt #: 159 total cpu time spent up to now is 81.6 secs Computing kpt #: 160 total cpu time spent up to now is 81.9 secs Computing kpt #: 161 total cpu time spent up to now is 82.1 secs Computing kpt #: 162 total cpu time spent up to now is 82.4 secs Computing kpt #: 163 total cpu time spent up to now is 82.7 secs Computing kpt #: 164 total cpu time spent up to now is 82.9 secs Computing kpt #: 165 total cpu time spent up to now is 83.1 secs Computing kpt #: 166 total cpu time spent up to now is 83.3 secs Computing kpt #: 167 total cpu time spent up to now is 83.5 secs Computing kpt #: 168 total cpu time spent up to now is 83.8 secs Computing kpt #: 169 total cpu time spent up to now is 84.0 secs Computing kpt #: 170 total cpu time spent up to now is 84.2 secs Computing kpt #: 171 total cpu time spent up to now is 84.4 secs Computing kpt #: 172 total cpu time spent up to now is 84.6 secs Computing kpt #: 173 total cpu time spent up to now is 84.9 secs Computing kpt #: 174 total cpu time spent up to now is 85.1 secs Computing kpt #: 175 total cpu time spent up to now is 85.5 secs Computing kpt #: 176 total cpu time spent up to now is 85.8 secs Computing kpt #: 177 total cpu time spent up to now is 86.0 secs Computing kpt #: 178 total cpu time spent up to now is 86.2 secs Computing kpt #: 179 total cpu time spent up to now is 86.5 secs Computing kpt #: 180 total cpu time spent up to now is 86.8 secs Computing kpt #: 181 total cpu time spent up to now is 87.3 secs Computing kpt #: 182 total cpu time spent up to now is 87.6 secs Computing kpt #: 183 total cpu time spent up to now is 88.0 secs Computing kpt #: 184 total cpu time spent up to now is 88.3 secs Computing kpt #: 185 total cpu time spent up to now is 88.6 secs Computing kpt #: 186 total cpu time spent up to now is 88.9 secs Computing kpt #: 187 total cpu time spent up to now is 89.2 secs Computing kpt #: 188 total cpu time spent up to now is 89.5 secs Computing kpt #: 189 total cpu time spent up to now is 89.7 secs Computing kpt #: 190 total cpu time spent up to now is 90.0 secs Computing kpt #: 191 total cpu time spent up to now is 90.3 secs Computing kpt #: 192 total cpu time spent up to now is 90.6 secs Computing kpt #: 193 total cpu time spent up to now is 90.8 secs Computing kpt #: 194 total cpu time spent up to now is 91.1 secs Computing kpt #: 195 total cpu time spent up to now is 91.3 secs Computing kpt #: 196 total cpu time spent up to now is 91.7 secs Computing kpt #: 197 total cpu time spent up to now is 92.0 secs Computing kpt #: 198 total cpu time spent up to now is 92.3 secs Computing kpt #: 199 total cpu time spent up to now is 92.5 secs Computing kpt #: 200 total cpu time spent up to now is 92.8 secs Computing kpt #: 201 total cpu time spent up to now is 93.1 secs Computing kpt #: 202 total cpu time spent up to now is 93.4 secs Computing kpt #: 203 total cpu time spent up to now is 93.9 secs Computing kpt #: 204 total cpu time spent up to now is 94.5 secs Computing kpt #: 205 total cpu time spent up to now is 95.1 secs Computing kpt #: 206 total cpu time spent up to now is 95.6 secs Computing kpt #: 207 total cpu time spent up to now is 95.9 secs Computing kpt #: 208 total cpu time spent up to now is 96.4 secs Computing kpt #: 209 total cpu time spent up to now is 96.6 secs Computing kpt #: 210 total cpu time spent up to now is 96.8 secs Computing kpt #: 211 total cpu time spent up to now is 97.3 secs Computing kpt #: 212 total cpu time spent up to now is 97.5 secs Computing kpt #: 213 total cpu time spent up to now is 97.7 secs Computing kpt #: 214 total cpu time spent up to now is 98.0 secs Computing kpt #: 215 total cpu time spent up to now is 98.2 secs Computing kpt #: 216 total cpu time spent up to now is 98.4 secs Computing kpt #: 217 total cpu time spent up to now is 98.6 secs Computing kpt #: 218 total cpu time spent up to now is 98.8 secs Computing kpt #: 219 total cpu time spent up to now is 99.5 secs Computing kpt #: 220 total cpu time spent up to now is 100.0 secs Computing kpt #: 221 total cpu time spent up to now is 100.5 secs Computing kpt #: 222 total cpu time spent up to now is 100.8 secs Computing kpt #: 223 total cpu time spent up to now is 101.2 secs Computing kpt #: 224 total cpu time spent up to now is 101.4 secs Computing kpt #: 225 total cpu time spent up to now is 101.7 secs Computing kpt #: 226 total cpu time spent up to now is 101.9 secs Computing kpt #: 227 total cpu time spent up to now is 102.1 secs Computing kpt #: 228 total cpu time spent up to now is 102.6 secs Computing kpt #: 229 total cpu time spent up to now is 102.9 secs Computing kpt #: 230 total cpu time spent up to now is 103.1 secs Computing kpt #: 231 total cpu time spent up to now is 103.3 secs Computing kpt #: 232 total cpu time spent up to now is 103.6 secs Computing kpt #: 233 total cpu time spent up to now is 103.8 secs Computing kpt #: 234 total cpu time spent up to now is 104.1 secs Computing kpt #: 235 total cpu time spent up to now is 104.3 secs Computing kpt #: 236 total cpu time spent up to now is 104.6 secs Computing kpt #: 237 total cpu time spent up to now is 104.9 secs Computing kpt #: 238 total cpu time spent up to now is 105.5 secs Computing kpt #: 239 total cpu time spent up to now is 106.0 secs Computing kpt #: 240 total cpu time spent up to now is 106.7 secs Computing kpt #: 241 total cpu time spent up to now is 107.2 secs Computing kpt #: 242 total cpu time spent up to now is 107.5 secs Computing kpt #: 243 total cpu time spent up to now is 107.8 secs Computing kpt #: 244 total cpu time spent up to now is 108.1 secs Computing kpt #: 245 total cpu time spent up to now is 108.4 secs Computing kpt #: 246 total cpu time spent up to now is 108.7 secs Computing kpt #: 247 total cpu time spent up to now is 109.0 secs Computing kpt #: 248 total cpu time spent up to now is 109.3 secs Computing kpt #: 249 total cpu time spent up to now is 109.9 secs Computing kpt #: 250 total cpu time spent up to now is 110.2 secs Computing kpt #: 251 total cpu time spent up to now is 110.4 secs Computing kpt #: 252 total cpu time spent up to now is 110.7 secs Computing kpt #: 253 total cpu time spent up to now is 111.0 secs Computing kpt #: 254 total cpu time spent up to now is 111.2 secs Computing kpt #: 255 total cpu time spent up to now is 111.5 secs Computing kpt #: 256 total cpu time spent up to now is 111.8 secs Computing kpt #: 257 total cpu time spent up to now is 112.0 secs Computing kpt #: 258 total cpu time spent up to now is 112.2 secs Computing kpt #: 259 total cpu time spent up to now is 112.5 secs Computing kpt #: 260 total cpu time spent up to now is 112.8 secs Computing kpt #: 261 total cpu time spent up to now is 113.2 secs Computing kpt #: 262 total cpu time spent up to now is 113.6 secs Computing kpt #: 263 total cpu time spent up to now is 113.9 secs Computing kpt #: 264 total cpu time spent up to now is 114.2 secs Computing kpt #: 265 total cpu time spent up to now is 114.5 secs Computing kpt #: 266 total cpu time spent up to now is 114.7 secs Computing kpt #: 267 total cpu time spent up to now is 114.9 secs Computing kpt #: 268 total cpu time spent up to now is 115.1 secs Computing kpt #: 269 total cpu time spent up to now is 115.3 secs Computing kpt #: 270 total cpu time spent up to now is 115.5 secs Computing kpt #: 271 total cpu time spent up to now is 115.7 secs Computing kpt #: 272 total cpu time spent up to now is 115.9 secs Computing kpt #: 273 total cpu time spent up to now is 116.1 secs Computing kpt #: 274 total cpu time spent up to now is 116.5 secs Computing kpt #: 275 total cpu time spent up to now is 117.1 secs Computing kpt #: 276 total cpu time spent up to now is 117.6 secs Computing kpt #: 277 total cpu time spent up to now is 118.0 secs Computing kpt #: 278 total cpu time spent up to now is 118.3 secs Computing kpt #: 279 total cpu time spent up to now is 118.5 secs Computing kpt #: 280 total cpu time spent up to now is 118.9 secs Computing kpt #: 281 total cpu time spent up to now is 119.2 secs Computing kpt #: 282 total cpu time spent up to now is 119.4 secs Computing kpt #: 283 total cpu time spent up to now is 119.7 secs Computing kpt #: 284 total cpu time spent up to now is 120.0 secs Computing kpt #: 285 total cpu time spent up to now is 120.3 secs Computing kpt #: 286 total cpu time spent up to now is 120.7 secs Computing kpt #: 287 total cpu time spent up to now is 121.0 secs Computing kpt #: 288 total cpu time spent up to now is 121.2 secs Computing kpt #: 289 total cpu time spent up to now is 121.6 secs Computing kpt #: 290 total cpu time spent up to now is 121.8 secs Computing kpt #: 291 total cpu time spent up to now is 122.2 secs Computing kpt #: 292 total cpu time spent up to now is 122.4 secs Computing kpt #: 293 total cpu time spent up to now is 122.7 secs Computing kpt #: 294 total cpu time spent up to now is 123.0 secs Computing kpt #: 295 total cpu time spent up to now is 123.2 secs Computing kpt #: 296 total cpu time spent up to now is 123.5 secs Computing kpt #: 297 total cpu time spent up to now is 123.7 secs Computing kpt #: 298 total cpu time spent up to now is 123.9 secs Computing kpt #: 299 total cpu time spent up to now is 124.1 secs Computing kpt #: 300 total cpu time spent up to now is 124.4 secs Computing kpt #: 301 total cpu time spent up to now is 124.6 secs Computing kpt #: 302 total cpu time spent up to now is 124.8 secs Computing kpt #: 303 total cpu time spent up to now is 125.0 secs Computing kpt #: 304 total cpu time spent up to now is 125.2 secs Computing kpt #: 305 total cpu time spent up to now is 125.4 secs Computing kpt #: 306 total cpu time spent up to now is 125.6 secs Computing kpt #: 307 total cpu time spent up to now is 125.8 secs Computing kpt #: 308 total cpu time spent up to now is 126.1 secs Computing kpt #: 309 total cpu time spent up to now is 126.4 secs Computing kpt #: 310 total cpu time spent up to now is 126.6 secs Computing kpt #: 311 total cpu time spent up to now is 126.9 secs Computing kpt #: 312 total cpu time spent up to now is 127.4 secs Computing kpt #: 313 total cpu time spent up to now is 127.8 secs Computing kpt #: 314 total cpu time spent up to now is 128.1 secs Computing kpt #: 315 total cpu time spent up to now is 128.4 secs Computing kpt #: 316 total cpu time spent up to now is 128.7 secs Computing kpt #: 317 total cpu time spent up to now is 129.0 secs Computing kpt #: 318 total cpu time spent up to now is 129.3 secs Computing kpt #: 319 total cpu time spent up to now is 129.8 secs Computing kpt #: 320 total cpu time spent up to now is 130.1 secs Computing kpt #: 321 total cpu time spent up to now is 130.5 secs Computing kpt #: 322 total cpu time spent up to now is 130.9 secs Computing kpt #: 323 total cpu time spent up to now is 131.4 secs Computing kpt #: 324 total cpu time spent up to now is 131.8 secs Computing kpt #: 325 total cpu time spent up to now is 132.2 secs Computing kpt #: 326 total cpu time spent up to now is 132.7 secs Computing kpt #: 327 total cpu time spent up to now is 133.2 secs Computing kpt #: 328 total cpu time spent up to now is 133.6 secs Computing kpt #: 329 total cpu time spent up to now is 133.8 secs Computing kpt #: 330 total cpu time spent up to now is 134.1 secs Computing kpt #: 331 total cpu time spent up to now is 134.3 secs Computing kpt #: 332 total cpu time spent up to now is 134.6 secs Computing kpt #: 333 total cpu time spent up to now is 134.8 secs Computing kpt #: 334 total cpu time spent up to now is 135.1 secs Computing kpt #: 335 total cpu time spent up to now is 135.4 secs Computing kpt #: 336 total cpu time spent up to now is 135.7 secs Computing kpt #: 337 total cpu time spent up to now is 136.0 secs Computing kpt #: 338 total cpu time spent up to now is 136.4 secs Computing kpt #: 339 total cpu time spent up to now is 136.7 secs Computing kpt #: 340 total cpu time spent up to now is 137.0 secs Computing kpt #: 341 total cpu time spent up to now is 137.4 secs Computing kpt #: 342 total cpu time spent up to now is 137.7 secs Computing kpt #: 343 total cpu time spent up to now is 138.0 secs Computing kpt #: 344 total cpu time spent up to now is 138.4 secs Computing kpt #: 345 total cpu time spent up to now is 138.7 secs Computing kpt #: 346 total cpu time spent up to now is 139.0 secs Computing kpt #: 347 total cpu time spent up to now is 139.3 secs Computing kpt #: 348 total cpu time spent up to now is 139.6 secs Computing kpt #: 349 total cpu time spent up to now is 139.9 secs Computing kpt #: 350 total cpu time spent up to now is 140.2 secs Computing kpt #: 351 total cpu time spent up to now is 140.5 secs Computing kpt #: 352 total cpu time spent up to now is 140.8 secs Computing kpt #: 353 total cpu time spent up to now is 141.1 secs Computing kpt #: 354 total cpu time spent up to now is 141.3 secs Computing kpt #: 355 total cpu time spent up to now is 141.6 secs Computing kpt #: 356 total cpu time spent up to now is 141.8 secs Computing kpt #: 357 total cpu time spent up to now is 142.0 secs Computing kpt #: 358 total cpu time spent up to now is 142.2 secs Computing kpt #: 359 total cpu time spent up to now is 142.5 secs Computing kpt #: 360 total cpu time spent up to now is 142.7 secs Computing kpt #: 361 total cpu time spent up to now is 142.9 secs Computing kpt #: 362 total cpu time spent up to now is 143.1 secs Computing kpt #: 363 total cpu time spent up to now is 143.3 secs Computing kpt #: 364 total cpu time spent up to now is 143.6 secs Computing kpt #: 365 total cpu time spent up to now is 143.8 secs Computing kpt #: 366 total cpu time spent up to now is 144.0 secs Computing kpt #: 367 total cpu time spent up to now is 144.2 secs Computing kpt #: 368 total cpu time spent up to now is 144.4 secs Computing kpt #: 369 total cpu time spent up to now is 144.6 secs Computing kpt #: 370 total cpu time spent up to now is 144.8 secs Computing kpt #: 371 total cpu time spent up to now is 145.0 secs Computing kpt #: 372 total cpu time spent up to now is 145.4 secs Computing kpt #: 373 total cpu time spent up to now is 145.8 secs Computing kpt #: 374 total cpu time spent up to now is 146.2 secs Computing kpt #: 375 total cpu time spent up to now is 146.5 secs Computing kpt #: 376 total cpu time spent up to now is 147.0 secs Computing kpt #: 377 total cpu time spent up to now is 147.3 secs Computing kpt #: 378 total cpu time spent up to now is 147.7 secs Computing kpt #: 379 total cpu time spent up to now is 148.0 secs Computing kpt #: 380 total cpu time spent up to now is 148.3 secs Computing kpt #: 381 total cpu time spent up to now is 148.5 secs Computing kpt #: 382 total cpu time spent up to now is 148.8 secs Computing kpt #: 383 total cpu time spent up to now is 149.1 secs Computing kpt #: 384 total cpu time spent up to now is 149.4 secs Computing kpt #: 385 total cpu time spent up to now is 149.7 secs Computing kpt #: 386 total cpu time spent up to now is 150.0 secs Computing kpt #: 387 total cpu time spent up to now is 150.3 secs Computing kpt #: 388 total cpu time spent up to now is 150.6 secs Computing kpt #: 389 total cpu time spent up to now is 150.9 secs Computing kpt #: 390 total cpu time spent up to now is 151.2 secs Computing kpt #: 391 total cpu time spent up to now is 151.4 secs Computing kpt #: 392 total cpu time spent up to now is 151.7 secs Computing kpt #: 393 total cpu time spent up to now is 151.9 secs Computing kpt #: 394 total cpu time spent up to now is 152.1 secs Computing kpt #: 395 total cpu time spent up to now is 152.4 secs Computing kpt #: 396 total cpu time spent up to now is 152.6 secs Computing kpt #: 397 total cpu time spent up to now is 152.9 secs Computing kpt #: 398 total cpu time spent up to now is 153.1 secs Computing kpt #: 399 total cpu time spent up to now is 153.4 secs Computing kpt #: 400 total cpu time spent up to now is 153.7 secs Computing kpt #: 401 total cpu time spent up to now is 153.9 secs Computing kpt #: 402 total cpu time spent up to now is 154.2 secs Computing kpt #: 403 total cpu time spent up to now is 154.5 secs Computing kpt #: 404 total cpu time spent up to now is 154.7 secs Computing kpt #: 405 total cpu time spent up to now is 155.1 secs Computing kpt #: 406 total cpu time spent up to now is 155.5 secs Computing kpt #: 407 total cpu time spent up to now is 156.0 secs Computing kpt #: 408 total cpu time spent up to now is 156.5 secs Computing kpt #: 409 total cpu time spent up to now is 156.7 secs Computing kpt #: 410 total cpu time spent up to now is 157.0 secs Computing kpt #: 411 total cpu time spent up to now is 157.3 secs Computing kpt #: 412 total cpu time spent up to now is 157.5 secs Computing kpt #: 413 total cpu time spent up to now is 157.7 secs Computing kpt #: 414 total cpu time spent up to now is 158.0 secs Computing kpt #: 415 total cpu time spent up to now is 158.2 secs Computing kpt #: 416 total cpu time spent up to now is 158.5 secs Computing kpt #: 417 total cpu time spent up to now is 158.7 secs Computing kpt #: 418 total cpu time spent up to now is 158.9 secs Computing kpt #: 419 total cpu time spent up to now is 159.1 secs Computing kpt #: 420 total cpu time spent up to now is 159.4 secs Computing kpt #: 421 total cpu time spent up to now is 159.6 secs Computing kpt #: 422 total cpu time spent up to now is 159.8 secs Computing kpt #: 423 total cpu time spent up to now is 160.0 secs Computing kpt #: 424 total cpu time spent up to now is 160.2 secs Computing kpt #: 425 total cpu time spent up to now is 160.6 secs Computing kpt #: 426 total cpu time spent up to now is 160.9 secs Computing kpt #: 427 total cpu time spent up to now is 161.1 secs Computing kpt #: 428 total cpu time spent up to now is 161.5 secs Computing kpt #: 429 total cpu time spent up to now is 161.9 secs Computing kpt #: 430 total cpu time spent up to now is 162.2 secs Computing kpt #: 431 total cpu time spent up to now is 162.4 secs Computing kpt #: 432 total cpu time spent up to now is 162.6 secs Computing kpt #: 433 total cpu time spent up to now is 162.9 secs Computing kpt #: 434 total cpu time spent up to now is 163.1 secs Computing kpt #: 435 total cpu time spent up to now is 163.4 secs Computing kpt #: 436 total cpu time spent up to now is 163.7 secs Computing kpt #: 437 total cpu time spent up to now is 164.1 secs Computing kpt #: 438 total cpu time spent up to now is 164.4 secs Computing kpt #: 439 total cpu time spent up to now is 164.8 secs Computing kpt #: 440 total cpu time spent up to now is 165.3 secs Computing kpt #: 441 total cpu time spent up to now is 165.5 secs Computing kpt #: 442 total cpu time spent up to now is 165.7 secs Computing kpt #: 443 total cpu time spent up to now is 165.9 secs Computing kpt #: 444 total cpu time spent up to now is 166.1 secs Computing kpt #: 445 total cpu time spent up to now is 166.3 secs Computing kpt #: 446 total cpu time spent up to now is 166.6 secs Computing kpt #: 447 total cpu time spent up to now is 166.8 secs Computing kpt #: 448 total cpu time spent up to now is 167.1 secs Computing kpt #: 449 total cpu time spent up to now is 167.3 secs Computing kpt #: 450 total cpu time spent up to now is 167.6 secs Computing kpt #: 451 total cpu time spent up to now is 167.8 secs Computing kpt #: 452 total cpu time spent up to now is 168.1 secs Computing kpt #: 453 total cpu time spent up to now is 168.4 secs Computing kpt #: 454 total cpu time spent up to now is 168.7 secs Computing kpt #: 455 total cpu time spent up to now is 169.0 secs Computing kpt #: 456 total cpu time spent up to now is 169.5 secs Computing kpt #: 457 total cpu time spent up to now is 169.9 secs Computing kpt #: 458 total cpu time spent up to now is 170.2 secs Computing kpt #: 459 total cpu time spent up to now is 170.6 secs Computing kpt #: 460 total cpu time spent up to now is 170.9 secs Computing kpt #: 461 total cpu time spent up to now is 171.2 secs Computing kpt #: 462 total cpu time spent up to now is 171.5 secs Computing kpt #: 463 total cpu time spent up to now is 171.8 secs Computing kpt #: 464 total cpu time spent up to now is 172.1 secs Computing kpt #: 465 total cpu time spent up to now is 172.3 secs Computing kpt #: 466 total cpu time spent up to now is 172.6 secs Computing kpt #: 467 total cpu time spent up to now is 172.9 secs Computing kpt #: 468 total cpu time spent up to now is 173.1 secs Computing kpt #: 469 total cpu time spent up to now is 173.5 secs Computing kpt #: 470 total cpu time spent up to now is 173.9 secs Computing kpt #: 471 total cpu time spent up to now is 174.1 secs Computing kpt #: 472 total cpu time spent up to now is 174.6 secs Computing kpt #: 473 total cpu time spent up to now is 174.9 secs Computing kpt #: 474 total cpu time spent up to now is 175.6 secs Computing kpt #: 475 total cpu time spent up to now is 176.4 secs Computing kpt #: 476 total cpu time spent up to now is 177.5 secs Computing kpt #: 477 total cpu time spent up to now is 178.1 secs Computing kpt #: 478 total cpu time spent up to now is 178.4 secs Computing kpt #: 479 total cpu time spent up to now is 179.0 secs ethr = 6.25E-11, avg # of iterations = 19.4 total cpu time spent up to now is 179.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1021 PWs) bands (ev): -47.1699 -47.1699 -21.3280 -21.3280 -13.6253 -13.6253 -13.3578 -13.3578 2.2944 2.2944 12.4584 12.4584 12.5837 12.5837 12.9567 12.9567 15.5303 15.5303 18.5524 18.5524 19.9428 19.9428 20.1215 20.1215 k = 0.0089 0.0052-0.0000 ( 1013 PWs) bands (ev): -47.1698 -47.1698 -21.3278 -21.3278 -13.6255 -13.6255 -13.3578 -13.3578 2.2960 2.2960 12.4565 12.4565 12.5819 12.5819 12.9586 12.9586 15.5278 15.5278 18.5585 18.5585 19.9440 19.9440 20.1217 20.1217 k = 0.0179 0.0103-0.0000 ( 1009 PWs) bands (ev): -47.1698 -47.1698 -21.3280 -21.3280 -13.6264 -13.6264 -13.3579 -13.3579 2.3008 2.3008 12.4499 12.4499 12.5773 12.5773 12.9639 12.9639 15.5203 15.5203 18.5769 18.5769 19.9474 19.9474 20.1225 20.1225 k = 0.0268 0.0155-0.0000 ( 1009 PWs) bands (ev): -47.1696 -47.1696 -21.3285 -21.3285 -13.6281 -13.6281 -13.3583 -13.3583 2.3087 2.3087 12.4365 12.4365 12.5727 12.5727 12.9725 12.9725 15.5079 15.5079 18.6071 18.6071 19.9523 19.9523 20.1240 20.1240 k = 0.0357 0.0206-0.0000 ( 1009 PWs) bands (ev): -47.1695 -47.1695 -21.3292 -21.3292 -13.6306 -13.6306 -13.3587 -13.3587 2.3197 2.3197 12.4139 12.4139 12.5711 12.5711 12.9838 12.9838 15.4908 15.4908 18.6491 18.6491 19.9580 19.9580 20.1265 20.1265 k = 0.0446 0.0258-0.0000 ( 1009 PWs) bands (ev): -47.1693 -47.1693 -21.3300 -21.3300 -13.6337 -13.6337 -13.3593 -13.3593 2.3339 2.3339 12.3812 12.3812 12.5742 12.5742 12.9974 12.9974 15.4691 15.4691 18.7022 18.7022 19.9631 19.9631 20.1301 20.1301 k = 0.0536 0.0309-0.0000 ( 1009 PWs) bands (ev): -47.1690 -47.1690 -21.3310 -21.3310 -13.6374 -13.6374 -13.3600 -13.3600 2.3511 2.3511 12.3391 12.3391 12.5820 12.5820 13.0129 13.0129 15.4430 15.4430 18.7659 18.7659 19.9664 19.9664 20.1342 20.1342 k = 0.0625 0.0361-0.0000 ( 1013 PWs) bands (ev): -47.1687 -47.1687 -21.3324 -21.3324 -13.6419 -13.6419 -13.3609 -13.3609 2.3714 2.3714 12.2888 12.2888 12.5938 12.5938 13.0303 13.0303 15.4129 15.4129 18.8397 18.8397 19.9667 19.9667 20.1371 20.1371 k = 0.0714 0.0412-0.0000 ( 1017 PWs) bands (ev): -47.1684 -47.1684 -21.3338 -21.3338 -13.6471 -13.6471 -13.3619 -13.3619 2.3946 2.3946 12.2316 12.2316 12.6092 12.6092 13.0492 13.0492 15.3789 15.3789 18.9227 18.9227 19.9631 19.9631 20.1354 20.1354 k = 0.0804 0.0464-0.0000 ( 1017 PWs) bands (ev): -47.1680 -47.1680 -21.3354 -21.3354 -13.6528 -13.6528 -13.3629 -13.3629 2.4209 2.4209 12.1684 12.1684 12.6276 12.6276 13.0695 13.0695 15.3415 15.3415 19.0142 19.0142 19.9550 19.9550 20.1245 20.1245 k = 0.0893 0.0515-0.0000 ( 1017 PWs) bands (ev): -47.1676 -47.1676 -21.3371 -21.3371 -13.6592 -13.6592 -13.3639 -13.3639 2.4500 2.4500 12.1002 12.1002 12.6488 12.6488 13.0912 13.0912 15.3009 15.3009 19.1133 19.1133 19.9416 19.9416 20.1022 20.1022 k = 0.0982 0.0567-0.0000 ( 1017 PWs) bands (ev): -47.1672 -47.1672 -21.3390 -21.3390 -13.6662 -13.6662 -13.3650 -13.3650 2.4820 2.4820 12.0277 12.0277 12.6724 12.6724 13.1142 13.1142 15.2575 15.2575 19.2189 19.2189 19.9213 19.9213 20.0713 20.0713 k = 0.1071 0.0619-0.0000 ( 1018 PWs) bands (ev): -47.1667 -47.1667 -21.3411 -21.3411 -13.6738 -13.6738 -13.3662 -13.3662 2.5167 2.5167 11.9514 11.9514 12.6984 12.6984 13.1383 13.1383 15.2115 15.2115 19.3296 19.3296 19.8923 19.8923 20.0379 20.0379 k = 0.1161 0.0670-0.0000 ( 1018 PWs) bands (ev): -47.1661 -47.1661 -21.3433 -21.3433 -13.6819 -13.6819 -13.3674 -13.3674 2.5542 2.5542 11.8721 11.8721 12.7266 12.7266 13.1634 13.1634 15.1634 15.1634 19.4430 19.4430 19.8541 19.8541 20.0074 20.0074 k = 0.1250 0.0722-0.0000 ( 1018 PWs) bands (ev): -47.1656 -47.1656 -21.3456 -21.3456 -13.6906 -13.6906 -13.3687 -13.3687 2.5942 2.5942 11.7901 11.7901 12.7568 12.7568 13.1895 13.1895 15.1133 15.1133 19.5522 19.5522 19.8128 19.8128 19.9821 19.9821 k = 0.1339 0.0773-0.0000 ( 1018 PWs) bands (ev): -47.1650 -47.1650 -21.3481 -21.3481 -13.6998 -13.6998 -13.3699 -13.3699 2.6368 2.6368 11.7060 11.7060 12.7890 12.7890 13.2164 13.2164 15.0616 15.0616 19.6277 19.6277 19.7984 19.7984 19.9624 19.9624 k = 0.1429 0.0825-0.0000 ( 1012 PWs) bands (ev): -47.1643 -47.1643 -21.3505 -21.3505 -13.7094 -13.7094 -13.3711 -13.3711 2.6819 2.6819 11.6202 11.6202 12.8230 12.8230 13.2440 13.2440 15.0086 15.0086 19.6160 19.6160 19.8571 19.8571 19.9552 19.9552 k = 0.1518 0.0876-0.0000 ( 1012 PWs) bands (ev): -47.1637 -47.1637 -21.3532 -21.3532 -13.7196 -13.7196 -13.3724 -13.3724 2.7292 2.7292 11.5331 11.5331 12.8586 12.8586 13.2720 13.2720 14.9545 14.9545 19.5600 19.5600 19.8937 19.8937 20.0104 20.0104 k = 0.1607 0.0928-0.0000 ( 1016 PWs) bands (ev): -47.1630 -47.1630 -21.3562 -21.3562 -13.7303 -13.7303 -13.3737 -13.3737 2.7788 2.7788 11.4451 11.4451 12.8959 12.8959 13.3003 13.3003 14.8996 14.8996 19.4931 19.4931 19.8842 19.8842 20.1097 20.1097 k = 0.1696 0.0979-0.0000 ( 1016 PWs) bands (ev): -47.1623 -47.1623 -21.3591 -21.3591 -13.7412 -13.7412 -13.3750 -13.3750 2.8305 2.8305 11.3565 11.3565 12.9346 12.9346 13.3287 13.3287 14.8442 14.8442 19.4230 19.4230 19.8676 19.8676 20.1826 20.1826 k = 0.1786 0.1031-0.0000 ( 1016 PWs) bands (ev): -47.1616 -47.1616 -21.3621 -21.3621 -13.7526 -13.7526 -13.3763 -13.3763 2.8843 2.8843 11.2676 11.2676 12.9746 12.9746 13.3569 13.3569 14.7884 14.7884 19.3525 19.3525 19.8494 19.8494 20.2083 20.2083 k = 0.1875 0.1083-0.0000 ( 1022 PWs) bands (ev): -47.1608 -47.1608 -21.3654 -21.3654 -13.7643 -13.7643 -13.3776 -13.3776 2.9399 2.9399 11.1787 11.1787 13.0157 13.0157 13.3847 13.3847 14.7324 14.7324 19.2829 19.2829 19.8304 19.8304 20.2093 20.2093 k = 0.1964 0.1134-0.0000 ( 1022 PWs) bands (ev): -47.1601 -47.1601 -21.3686 -21.3686 -13.7762 -13.7762 -13.3788 -13.3788 2.9973 2.9973 11.0900 11.0900 13.0579 13.0579 13.4120 13.4120 14.6765 14.6765 19.2153 19.2153 19.8111 19.8111 20.2018 20.2018 k = 0.2054 0.1186-0.0000 ( 1030 PWs) bands (ev): -47.1593 -47.1593 -21.3721 -21.3721 -13.7885 -13.7885 -13.3802 -13.3802 3.0563 3.0563 11.0018 11.0018 13.1009 13.1009 13.4384 13.4384 14.6209 14.6209 19.1505 19.1505 19.7915 19.7915 20.1912 20.1912 k = 0.2143 0.1237-0.0000 ( 1030 PWs) bands (ev): -47.1585 -47.1585 -21.3754 -21.3754 -13.8008 -13.8008 -13.3814 -13.3814 3.1168 3.1168 10.9143 10.9143 13.1444 13.1444 13.4637 13.4637 14.5656 14.5656 19.0893 19.0893 19.7718 19.7718 20.1794 20.1794 k = 0.2232 0.1289-0.0000 ( 1032 PWs) bands (ev): -47.1577 -47.1577 -21.3788 -21.3788 -13.8133 -13.8133 -13.3825 -13.3825 3.1787 3.1787 10.8276 10.8276 13.1884 13.1884 13.4877 13.4877 14.5109 14.5109 19.0323 19.0323 19.7519 19.7519 20.1673 20.1673 k = 0.2321 0.1340-0.0000 ( 1034 PWs) bands (ev): -47.1569 -47.1569 -21.3823 -21.3823 -13.8259 -13.8259 -13.3837 -13.3837 3.2418 3.2418 10.7420 10.7420 13.2324 13.2324 13.5104 13.5104 14.4569 14.4569 18.9800 18.9800 19.7321 19.7321 20.1554 20.1554 k = 0.2411 0.1392-0.0000 ( 1034 PWs) bands (ev): -47.1561 -47.1561 -21.3857 -21.3857 -13.8386 -13.8386 -13.3848 -13.3848 3.3059 3.3059 10.6575 10.6575 13.2762 13.2762 13.5315 13.5315 14.4038 14.4038 18.9332 18.9332 19.7124 19.7124 20.1440 20.1440 k = 0.2500 0.1443-0.0000 ( 1034 PWs) bands (ev): -47.1553 -47.1553 -21.3891 -21.3891 -13.8512 -13.8512 -13.3859 -13.3859 3.3709 3.3709 10.5745 10.5745 13.3193 13.3193 13.5513 13.5513 14.3516 14.3516 18.8921 18.8921 19.6928 19.6928 20.1334 20.1334 k = 0.2589 0.1495-0.0000 ( 1030 PWs) bands (ev): -47.1544 -47.1544 -21.3925 -21.3925 -13.8637 -13.8637 -13.3869 -13.3869 3.4367 3.4367 10.4929 10.4929 13.3609 13.3609 13.5699 13.5699 14.3005 14.3005 18.8573 18.8573 19.6734 19.6734 20.1237 20.1237 k = 0.2679 0.1546-0.0000 ( 1030 PWs) bands (ev): -47.1536 -47.1536 -21.3959 -21.3959 -13.8762 -13.8762 -13.3879 -13.3879 3.5030 3.5030 10.4129 10.4129 13.4002 13.4002 13.5879 13.5879 14.2507 14.2507 18.8290 18.8290 19.6542 19.6542 20.1150 20.1150 k = 0.2768 0.1598-0.0000 ( 1026 PWs) bands (ev): -47.1528 -47.1528 -21.3992 -21.3992 -13.8886 -13.8886 -13.3888 -13.3888 3.5696 3.5696 10.3346 10.3346 13.4358 13.4358 13.6065 13.6065 14.2022 14.2022 18.8077 18.8077 19.6353 19.6353 20.1075 20.1075 k = 0.2857 0.1650-0.0000 ( 1026 PWs) bands (ev): -47.1520 -47.1520 -21.4026 -21.4026 -13.9009 -13.9009 -13.3897 -13.3897 3.6364 3.6364 10.2581 10.2581 13.4657 13.4657 13.6271 13.6271 14.1552 14.1552 18.7935 18.7935 19.6168 19.6168 20.1011 20.1011 k = 0.2946 0.1701-0.0000 ( 1030 PWs) bands (ev): -47.1512 -47.1512 -21.4060 -21.4060 -13.9130 -13.9130 -13.3908 -13.3908 3.7032 3.7032 10.1836 10.1836 13.4882 13.4882 13.6513 13.6513 14.1098 14.1098 18.7864 18.7864 19.5986 19.5986 20.0960 20.0960 k = 0.3036 0.1753-0.0000 ( 1030 PWs) bands (ev): -47.1504 -47.1504 -21.4093 -21.4093 -13.9249 -13.9249 -13.3916 -13.3916 3.7697 3.7697 10.1112 10.1112 13.5025 13.5025 13.6797 13.6797 14.0663 14.0663 18.7865 18.7865 19.5810 19.5810 20.0921 20.0921 k = 0.3125 0.1804-0.0000 ( 1030 PWs) bands (ev): -47.1497 -47.1497 -21.4125 -21.4125 -13.9366 -13.9366 -13.3924 -13.3924 3.8358 3.8358 10.0408 10.0408 13.5091 13.5091 13.7113 13.7113 14.0250 14.0250 18.7938 18.7938 19.5638 19.5638 20.0896 20.0896 k = 0.3214 0.1856-0.0000 ( 1030 PWs) bands (ev): -47.1489 -47.1489 -21.4157 -21.4157 -13.9479 -13.9479 -13.3932 -13.3932 3.9013 3.9013 9.9727 9.9727 13.5093 13.5093 13.7443 13.7443 13.9864 13.9864 18.8081 18.8081 19.5472 19.5472 20.0883 20.0883 k = 0.3304 0.1907-0.0000 ( 1034 PWs) bands (ev): -47.1482 -47.1482 -21.4189 -21.4189 -13.9590 -13.9590 -13.3940 -13.3940 3.9658 3.9658 9.9069 9.9069 13.5044 13.5044 13.7761 13.7761 13.9520 13.9520 18.8291 18.8291 19.5311 19.5311 20.0884 20.0884 k = 0.3393 0.1959-0.0000 ( 1032 PWs) bands (ev): -47.1475 -47.1475 -21.4218 -21.4218 -13.9696 -13.9696 -13.3947 -13.3947 4.0293 4.0293 9.8435 9.8435 13.4955 13.4955 13.8020 13.8020 13.9256 13.9256 18.8563 18.8563 19.5157 19.5157 20.0896 20.0896 k = 0.3482 0.2010-0.0000 ( 1028 PWs) bands (ev): -47.1468 -47.1468 -21.4246 -21.4246 -13.9798 -13.9798 -13.3953 -13.3953 4.0914 4.0914 9.7826 9.7826 13.4833 13.4833 13.8118 13.8118 13.9167 13.9167 18.8895 18.8895 19.5011 19.5011 20.0921 20.0921 k = 0.3571 0.2062-0.0000 ( 1028 PWs) bands (ev): -47.1461 -47.1461 -21.4274 -21.4274 -13.9896 -13.9896 -13.3959 -13.3959 4.1519 4.1519 9.7243 9.7243 13.4685 13.4685 13.7999 13.7999 13.9307 13.9307 18.9279 18.9279 19.4871 19.4871 20.0957 20.0957 k = 0.3661 0.2114-0.0000 ( 1026 PWs) bands (ev): -47.1455 -47.1455 -21.4300 -21.4300 -13.9990 -13.9990 -13.3965 -13.3965 4.2106 4.2106 9.6688 9.6688 13.4516 13.4516 13.7767 13.7767 13.9567 13.9567 18.9709 18.9709 19.4740 19.4740 20.1004 20.1004 k = 0.3750 0.2165-0.0000 ( 1026 PWs) bands (ev): -47.1449 -47.1449 -21.4325 -21.4325 -14.0079 -14.0079 -13.3971 -13.3971 4.2671 4.2671 9.6161 9.6161 13.4333 13.4333 13.7506 13.7506 13.9861 13.9861 19.0177 19.0177 19.4617 19.4617 20.1061 20.1061 k = 0.3839 0.2217-0.0000 ( 1022 PWs) bands (ev): -47.1443 -47.1443 -21.4348 -21.4348 -14.0162 -14.0162 -13.3975 -13.3975 4.3213 4.3213 9.5663 9.5663 13.4139 13.4139 13.7245 13.7245 14.0158 14.0158 19.0675 19.0675 19.4505 19.4505 20.1126 20.1126 k = 0.3929 0.2268-0.0000 ( 1026 PWs) bands (ev): -47.1438 -47.1438 -21.4371 -21.4371 -14.0241 -14.0241 -13.3981 -13.3981 4.3728 4.3728 9.5195 9.5195 13.3940 13.3940 13.6995 13.6995 14.0447 14.0447 19.1192 19.1192 19.4404 19.4404 20.1199 20.1199 k = 0.4018 0.2320-0.0000 ( 1030 PWs) bands (ev): -47.1433 -47.1433 -21.4393 -21.4393 -14.0315 -14.0315 -13.3986 -13.3986 4.4215 4.4215 9.4759 9.4759 13.3739 13.3739 13.6759 13.6759 14.0721 14.0721 19.1716 19.1716 19.4317 19.4317 20.1278 20.1278 k = 0.4107 0.2371-0.0000 ( 1030 PWs) bands (ev): -47.1428 -47.1428 -21.4413 -21.4413 -14.0382 -14.0382 -13.3991 -13.3991 4.4670 4.4670 9.4355 9.4355 13.3540 13.3540 13.6541 13.6541 14.0977 14.0977 19.2231 19.2231 19.4250 19.4250 20.1362 20.1362 k = 0.4196 0.2423-0.0000 ( 1028 PWs) bands (ev): -47.1424 -47.1424 -21.4430 -21.4430 -14.0444 -14.0444 -13.3994 -13.3994 4.5091 4.5091 9.3985 9.3985 13.3349 13.3349 13.6342 13.6342 14.1214 14.1214 19.2717 19.2717 19.4214 19.4214 20.1450 20.1450 k = 0.4286 0.2474-0.0000 ( 1030 PWs) bands (ev): -47.1420 -47.1420 -21.4446 -21.4446 -14.0500 -14.0500 -13.3997 -13.3997 4.5475 4.5475 9.3651 9.3651 13.3167 13.3167 13.6163 13.6163 14.1429 14.1429 19.3132 19.3132 19.4238 19.4238 20.1539 20.1539 k = 0.4375 0.2526-0.0000 ( 1030 PWs) bands (ev): -47.1417 -47.1417 -21.4461 -21.4461 -14.0549 -14.0549 -13.4000 -13.4000 4.5821 4.5821 9.3352 9.3352 13.2999 13.2999 13.6003 13.6003 14.1620 14.1620 19.3415 19.3415 19.4374 19.4374 20.1627 20.1627 k = 0.4464 0.2577-0.0000 ( 1030 PWs) bands (ev): -47.1414 -47.1414 -21.4473 -21.4473 -14.0592 -14.0592 -13.4003 -13.4003 4.6125 4.6125 9.3091 9.3091 13.2847 13.2847 13.5865 13.5865 14.1788 14.1788 19.3544 19.3544 19.4633 19.4633 20.1713 20.1713 k = 0.4554 0.2629-0.0000 ( 1034 PWs) bands (ev): -47.1412 -47.1412 -21.4485 -21.4485 -14.0630 -14.0630 -13.4005 -13.4005 4.6386 4.6386 9.2868 9.2868 13.2714 13.2714 13.5747 13.5747 14.1932 14.1932 19.3580 19.3580 19.4943 19.4943 20.1793 20.1793 k = 0.4643 0.2681-0.0000 ( 1034 PWs) bands (ev): -47.1410 -47.1410 -21.4493 -21.4493 -14.0660 -14.0660 -13.4007 -13.4007 4.6603 4.6603 9.2684 9.2684 13.2602 13.2602 13.5650 13.5650 14.2050 14.2050 19.3581 19.3581 19.5238 19.5238 20.1865 20.1865 k = 0.4732 0.2732-0.0000 ( 1032 PWs) bands (ev): -47.1408 -47.1408 -21.4500 -21.4500 -14.0683 -14.0683 -13.4008 -13.4008 4.6773 4.6773 9.2540 9.2540 13.2513 13.2513 13.5575 13.5575 14.2142 14.2142 19.3572 19.3572 19.5485 19.5485 20.1925 20.1925 k = 0.4821 0.2784-0.0000 ( 1032 PWs) bands (ev): -47.1407 -47.1407 -21.4505 -21.4505 -14.0700 -14.0700 -13.4009 -13.4009 4.6895 4.6895 9.2437 9.2437 13.2449 13.2449 13.5521 13.5521 14.2208 14.2208 19.3562 19.3562 19.5670 19.5670 20.1971 20.1971 k = 0.4911 0.2835-0.0000 ( 1032 PWs) bands (ev): -47.1406 -47.1406 -21.4508 -21.4508 -14.0710 -14.0710 -13.4010 -13.4010 4.6969 4.6969 9.2375 9.2375 13.2410 13.2410 13.5488 13.5488 14.2248 14.2248 19.3554 19.3554 19.5784 19.5784 20.1999 20.1999 k = 0.5000 0.2887-0.0000 ( 1034 PWs) bands (ev): -47.1406 -47.1406 -21.4509 -21.4509 -14.0714 -14.0714 -13.4010 -13.4010 4.6993 4.6993 9.2354 9.2354 13.2397 13.2397 13.5478 13.5478 14.2261 14.2261 19.3552 19.3552 19.5823 19.5823 20.2009 20.2009 k = 0.5000 0.2887-0.0000 ( 1034 PWs) bands (ev): -47.1406 -47.1406 -21.4509 -21.4509 -14.0714 -14.0714 -13.4010 -13.4010 4.6993 4.6993 9.2354 9.2354 13.2397 13.2397 13.5478 13.5478 14.2261 14.2261 19.3552 19.3552 19.5823 19.5823 20.2009 20.2009 k = 0.4949 0.2974-0.0000 ( 1032 PWs) bands (ev): -47.1406 -47.1406 -21.4512 -21.4506 -14.0728 -14.0700 -13.4015 -13.4007 4.6922 4.7081 9.2334 9.2394 13.2149 13.2512 13.5458 13.5500 14.2209 14.2436 19.3406 19.3576 19.5499 19.6042 20.1579 20.2413 k = 0.4899 0.3062-0.0000 ( 1032 PWs) bands (ev): -47.1406 -47.1406 -21.4516 -21.4503 -14.0744 -14.0686 -13.4022 -13.4006 4.6867 4.7185 9.2333 9.2454 13.1783 13.2492 13.5442 13.5525 14.2285 14.2719 19.3142 19.3481 19.5089 19.6134 20.1148 20.2769 k = 0.4848 0.3149-0.0000 ( 1028 PWs) bands (ev): -47.1405 -47.1405 -21.4519 -21.4501 -14.0759 -14.0673 -13.4031 -13.4006 4.6828 4.7306 9.2353 9.2534 13.1314 13.2339 13.5430 13.5550 14.2486 14.3095 19.2767 19.3272 19.4608 19.6076 20.0744 20.3064 k = 0.4798 0.3237-0.0000 ( 1028 PWs) bands (ev): -47.1405 -47.1405 -21.4524 -21.4499 -14.0776 -14.0661 -13.4043 -13.4010 4.6806 4.7441 9.2392 9.2632 13.0761 13.2067 13.5422 13.5576 14.2799 14.3547 19.2292 19.2960 19.4067 19.5853 20.0386 20.3286 k = 0.4747 0.3324-0.0000 ( 1028 PWs) bands (ev): -47.1404 -47.1404 -21.4530 -21.4499 -14.0793 -14.0650 -13.4057 -13.4015 4.6800 4.7592 9.2453 9.2750 13.0139 13.1693 13.5417 13.5603 14.3208 14.4060 19.1731 19.2555 19.3475 19.5467 20.0082 20.3431 k = 0.4697 0.3412-0.0000 ( 1028 PWs) bands (ev): -47.1403 -47.1403 -21.4536 -21.4498 -14.0810 -14.0640 -13.4072 -13.4023 4.6809 4.7758 9.2533 9.2887 12.9461 13.1234 13.5415 13.5631 14.3696 14.4624 19.1098 19.2071 19.2839 19.4936 19.9821 20.3497 k = 0.4646 0.3499-0.0000 ( 1024 PWs) bands (ev): -47.1402 -47.1402 -21.4541 -21.4498 -14.0828 -14.0629 -13.4090 -13.4032 4.6833 4.7937 9.2634 9.3042 12.8737 13.0706 13.5416 13.5660 14.4248 14.5230 19.0406 19.1520 19.2167 19.4290 19.9582 20.3484 k = 0.4596 0.3587-0.0000 ( 1024 PWs) bands (ev): -47.1401 -47.1401 -21.4548 -21.4499 -14.0846 -14.0621 -13.4109 -13.4042 4.6872 4.8129 9.2755 9.3216 12.7974 13.0122 13.5419 13.5691 14.4852 14.5872 18.9666 19.0914 19.1465 19.3562 19.9345 20.3397 k = 0.4545 0.3674-0.0000 ( 1024 PWs) bands (ev): -47.1400 -47.1400 -21.4555 -21.4500 -14.0866 -14.0613 -13.4130 -13.4055 4.6925 4.8333 9.2897 9.3407 12.7181 12.9494 13.5424 13.5724 14.5499 14.6546 18.8888 19.0262 19.0743 19.2776 19.9095 20.3241 k = 0.4495 0.3762-0.0000 ( 1028 PWs) bands (ev): -47.1399 -47.1399 -21.4563 -21.4503 -14.0886 -14.0607 -13.4153 -13.4069 4.6990 4.8547 9.3059 9.3616 12.6360 12.8830 13.5430 13.5757 14.6181 14.7248 18.8080 18.9573 19.0007 19.1955 19.8822 20.3021 k = 0.4444 0.3849-0.0000 ( 1032 PWs) bands (ev): -47.1398 -47.1398 -21.4572 -21.4506 -14.0906 -14.0601 -13.4177 -13.4086 4.7067 4.8772 9.3242 9.3842 12.5518 12.8137 13.5437 13.5792 14.6893 14.7977 18.7248 18.8853 18.9266 19.1116 19.8521 20.2745 k = 0.4394 0.3936-0.0000 ( 1032 PWs) bands (ev): -47.1396 -47.1396 -21.4580 -21.4509 -14.0927 -14.0596 -13.4201 -13.4101 4.7156 4.9005 9.3444 9.4084 12.4658 12.7422 13.5446 13.5827 14.7633 14.8730 18.6396 18.8106 18.8526 19.0274 19.8190 20.2418 k = 0.4343 0.4024-0.0000 ( 1036 PWs) bands (ev): -47.1395 -47.1395 -21.4589 -21.4513 -14.0948 -14.0593 -13.4227 -13.4118 4.7255 4.9245 9.3667 9.4342 12.3784 12.6688 13.5455 13.5862 14.8396 14.9508 18.5530 18.7332 18.7794 18.9441 19.7830 20.2049 k = 0.4293 0.4111-0.0000 ( 1036 PWs) bands (ev): -47.1393 -47.1393 -21.4597 -21.4516 -14.0969 -14.0590 -13.4252 -13.4136 4.7362 4.9491 9.3910 9.4614 12.2898 12.5941 13.5464 13.5897 14.9182 15.0309 18.4652 18.6534 18.7076 18.8629 19.7443 20.1642 k = 0.4242 0.4199-0.0000 ( 1036 PWs) bands (ev): -47.1392 -47.1392 -21.4606 -21.4520 -14.0990 -14.0587 -13.4278 -13.4153 4.7478 4.9741 9.4171 9.4901 12.2005 12.5185 13.5473 13.5931 14.9989 15.1133 18.3765 18.5710 18.6377 18.7848 19.7032 20.1206 k = 0.4192 0.4286-0.0000 ( 1038 PWs) bands (ev): -47.1390 -47.1390 -21.4615 -21.4524 -14.1012 -14.0587 -13.4304 -13.4171 4.7600 4.9993 9.4452 9.5199 12.1107 12.4423 13.5482 13.5964 15.0816 15.1979 18.2872 18.4862 18.5702 18.7104 19.6600 20.0744 k = 0.4141 0.4374-0.0000 ( 1036 PWs) bands (ev): -47.1388 -47.1388 -21.4623 -21.4528 -14.1033 -14.0586 -13.4329 -13.4189 4.7728 5.0247 9.4750 9.5510 12.0207 12.3660 13.5490 13.5996 15.1661 15.2847 18.1976 18.3992 18.5054 18.6402 19.6152 20.0265 k = 0.4091 0.4461-0.0000 ( 1040 PWs) bands (ev): -47.1387 -47.1387 -21.4632 -21.4533 -14.1055 -14.0588 -13.4355 -13.4207 4.7859 5.0499 9.5066 9.5829 11.9310 12.2899 13.5497 13.6026 15.2523 15.3737 18.1077 18.3104 18.4436 18.5743 19.5691 19.9772 k = 0.4040 0.4549-0.0000 ( 1032 PWs) bands (ev): -47.1385 -47.1385 -21.4638 -21.4536 -14.1074 -14.0587 -13.4378 -13.4223 4.7993 5.0750 9.5397 9.6157 11.8418 12.2146 13.5503 13.6053 15.3402 15.4647 18.0179 18.2201 18.3852 18.5128 19.5223 19.9272 k = 0.3990 0.4636-0.0000 ( 1029 PWs) bands (ev): -47.1383 -47.1383 -21.4646 -21.4540 -14.1094 -14.0589 -13.4401 -13.4239 4.8128 5.0996 9.5743 9.6490 11.7536 12.1403 13.5507 13.6079 15.4295 15.5577 17.9283 18.1287 18.3303 18.4556 19.4752 19.8769 k = 0.3939 0.4724-0.0000 ( 1033 PWs) bands (ev): -47.1381 -47.1381 -21.4655 -21.4545 -14.1115 -14.0593 -13.4424 -13.4256 4.8262 5.1235 9.6101 9.6826 11.6667 12.0676 13.5511 13.6101 15.5201 15.6525 17.8390 18.0366 18.2791 18.4027 19.4283 19.8270 k = 0.3889 0.4811-0.0000 ( 1037 PWs) bands (ev): -47.1380 -47.1380 -21.4664 -21.4551 -14.1135 -14.0597 -13.4448 -13.4273 4.8395 5.1466 9.6469 9.7162 11.5818 11.9970 13.5512 13.6121 15.6117 15.7491 17.7502 17.9440 18.2318 18.3540 19.3821 19.7780 k = 0.3838 0.4899-0.0000 ( 1037 PWs) bands (ev): -47.1378 -47.1378 -21.4671 -21.4555 -14.1154 -14.0601 -13.4468 -13.4287 4.8524 5.1687 9.6844 9.7494 11.4992 11.9291 13.5512 13.6138 15.7041 15.8472 17.6620 17.8511 18.1885 18.3095 19.3372 19.7303 k = 0.3788 0.4986-0.0000 ( 1037 PWs) bands (ev): -47.1377 -47.1377 -21.4678 -21.4560 -14.1171 -14.0605 -13.4486 -13.4300 4.8648 5.1896 9.7222 9.7818 11.4197 11.8644 13.5511 13.6152 15.7968 15.9465 17.5748 17.7582 18.1493 18.2691 19.2940 19.6846 k = 0.3737 0.5074-0.0000 ( 1041 PWs) bands (ev): -47.1375 -47.1375 -21.4685 -21.4565 -14.1189 -14.0611 -13.4503 -13.4313 4.8765 5.2091 9.7598 9.8129 11.3440 11.8037 13.5508 13.6163 15.8896 16.0468 17.4886 17.6653 18.1142 18.2330 19.2530 19.6414 k = 0.3687 0.5161-0.0000 ( 1037 PWs) bands (ev): -47.1374 -47.1374 -21.4690 -21.4568 -14.1204 -14.0615 -13.4518 -13.4323 4.8875 5.2270 9.7965 9.8423 11.2729 11.7475 13.5504 13.6171 15.9816 16.1477 17.4039 17.5727 18.0834 18.2010 19.2148 19.6012 k = 0.3636 0.5249-0.0000 ( 1037 PWs) bands (ev): -47.1373 -47.1373 -21.4695 -21.4571 -14.1218 -14.0620 -13.4531 -13.4333 4.8975 5.2431 9.8316 9.8694 11.2073 11.6967 13.5499 13.6176 16.0720 16.2485 17.3212 17.4807 18.0567 18.1732 19.1799 19.5646 k = 0.3586 0.5336-0.0000 ( 1033 PWs) bands (ev): -47.1372 -47.1372 -21.4699 -21.4574 -14.1230 -14.0624 -13.4542 -13.4340 4.9064 5.2572 9.8642 9.8935 11.1485 11.6521 13.5493 13.6180 16.1596 16.3486 17.2414 17.3896 18.0344 18.1496 19.1489 19.5321 k = 0.3535 0.5424-0.0000 ( 1037 PWs) bands (ev): -47.1371 -47.1371 -21.4704 -21.4577 -14.1241 -14.0630 -13.4551 -13.4347 4.9140 5.2692 9.8931 9.9141 11.0977 11.6143 13.5487 13.6181 16.2426 16.4465 17.1659 17.3002 18.0163 18.1303 19.1223 19.5044 k = 0.3485 0.5511-0.0000 ( 1037 PWs) bands (ev): -47.1370 -47.1370 -21.4707 -21.4580 -14.1250 -14.0633 -13.4558 -13.4352 4.9201 5.2788 9.9173 9.9307 11.0563 11.5841 13.5481 13.6181 16.3179 16.5404 17.0972 17.2141 18.0023 18.1152 19.1006 19.4819 k = 0.3434 0.5599-0.0000 ( 1037 PWs) bands (ev): -47.1370 -47.1370 -21.4710 -21.4581 -14.1256 -14.0636 -13.4563 -13.4356 4.9247 5.2859 9.9354 9.9428 11.0256 11.5621 13.5477 13.6180 16.3809 16.6258 17.0396 17.1351 17.9925 18.1044 19.0844 19.4652 k = 0.3384 0.5686-0.0000 ( 1041 PWs) bands (ev): -47.1370 -47.1370 -21.4712 -21.4583 -14.1261 -14.0639 -13.4567 -13.4358 4.9276 5.2902 9.9466 9.9501 11.0068 11.5488 13.5473 13.6179 16.4242 16.6928 16.9999 17.0724 17.9866 18.0979 19.0743 19.4548 k = 0.3333 0.5774-0.0000 ( 1041 PWs) bands (ev): -47.1369 -47.1369 -21.4713 -21.4584 -14.1262 -14.0640 -13.4568 -13.4359 4.9285 5.2917 9.9503 9.9525 11.0005 11.5443 13.5472 13.6178 16.4399 16.7204 16.9855 17.0464 17.9847 18.0957 19.0708 19.4512 k = 0.3333 0.5774-0.0000 ( 1041 PWs) bands (ev): -47.1369 -47.1369 -21.4713 -21.4584 -14.1262 -14.0640 -13.4568 -13.4359 4.9285 5.2917 9.9503 9.9525 11.0005 11.5443 13.5472 13.6178 16.4399 16.7204 16.9855 17.0464 17.9847 18.0957 19.0708 19.4512 k = 0.3282 0.5685-0.0000 ( 1041 PWs) bands (ev): -47.1370 -47.1370 -21.4712 -21.4583 -14.1261 -14.0639 -13.4567 -13.4358 4.9275 5.2901 9.9466 9.9501 11.0069 11.5489 13.5473 13.6179 16.4241 16.6927 16.9998 17.0722 17.9866 18.0980 19.0746 19.4550 k = 0.3231 0.5596-0.0000 ( 1037 PWs) bands (ev): -47.1370 -47.1370 -21.4709 -21.4581 -14.1256 -14.0636 -13.4563 -13.4356 4.9242 5.2853 9.9360 9.9432 11.0257 11.5624 13.5479 13.6182 16.3815 16.6273 17.0376 17.1314 17.9923 18.1047 19.0862 19.4667 k = 0.3179 0.5507-0.0000 ( 1037 PWs) bands (ev): -47.1370 -47.1370 -21.4707 -21.4579 -14.1248 -14.0631 -13.4558 -13.4352 4.9186 5.2770 9.9199 9.9323 11.0556 11.5843 13.5489 13.6189 16.3210 16.5454 17.0896 17.2021 18.0015 18.1160 19.1060 19.4863 k = 0.3128 0.5418-0.0000 ( 1037 PWs) bands (ev): -47.1371 -47.1371 -21.4703 -21.4576 -14.1236 -14.0624 -13.4552 -13.4347 4.9105 5.2653 9.8996 9.9182 11.0953 11.6141 13.5504 13.6199 16.2495 16.4564 17.1485 17.2742 18.0140 18.1316 19.1343 19.5141 k = 0.3077 0.5329-0.0000 ( 1037 PWs) bands (ev): -47.1372 -47.1372 -21.4698 -21.4572 -14.1222 -14.0615 -13.4543 -13.4340 4.8998 5.2500 9.8769 9.9017 11.1432 11.6509 13.5526 13.6214 16.1713 16.3639 17.2099 17.3439 18.0298 18.1515 19.1712 19.5499 k = 0.3026 0.5241-0.0000 ( 1041 PWs) bands (ev): -47.1374 -47.1374 -21.4692 -21.4568 -14.1203 -14.0604 -13.4533 -13.4334 4.8865 5.2310 9.8530 9.8836 11.1980 11.6941 13.5555 13.6236 16.0890 16.2696 17.2712 17.4093 18.0485 18.1755 19.2164 19.5933 k = 0.2974 0.5152-0.0000 ( 1037 PWs) bands (ev): -47.1376 -47.1376 -21.4684 -21.4561 -14.1180 -14.0589 -13.4521 -13.4324 4.8704 5.2084 9.8293 9.8648 11.2584 11.7428 13.5592 13.6265 16.0041 16.1743 17.3309 17.4697 18.0701 18.2032 19.2695 19.6439 k = 0.2923 0.5063-0.0000 ( 1033 PWs) bands (ev): -47.1378 -47.1378 -21.4674 -21.4553 -14.1152 -14.0570 -13.4507 -13.4314 4.8514 5.1820 9.8067 9.8460 11.3233 11.7963 13.5638 13.6302 15.9174 16.0785 17.3884 17.5251 18.0944 18.2344 19.3298 19.7008 k = 0.2872 0.4974-0.0000 ( 1029 PWs) bands (ev): -47.1380 -47.1380 -21.4662 -21.4543 -14.1120 -14.0547 -13.4492 -13.4303 4.8296 5.1519 9.7860 9.8279 11.3919 11.8539 13.5695 13.6348 15.8295 15.9825 17.4432 17.5759 18.1214 18.2685 19.3962 19.7632 k = 0.2821 0.4885-0.0000 ( 1025 PWs) bands (ev): -47.1382 -47.1382 -21.4650 -21.4533 -14.1083 -14.0522 -13.4476 -13.4291 4.8049 5.1181 9.7680 9.8112 11.4634 11.9149 13.5762 13.6404 15.7409 15.8865 17.4955 17.6226 18.1508 18.3053 19.4674 19.8298 k = 0.2769 0.4796-0.0000 ( 1025 PWs) bands (ev): -47.1385 -47.1385 -21.4637 -21.4522 -14.1043 -14.0493 -13.4459 -13.4278 4.7772 5.0808 9.7530 9.7964 11.5372 11.9787 13.5841 13.6471 15.6519 15.7908 17.5451 17.6660 18.1827 18.3443 19.5422 19.8994 k = 0.2718 0.4708-0.0000 ( 1023 PWs) bands (ev): -47.1388 -47.1388 -21.4622 -21.4510 -14.0998 -14.0461 -13.4440 -13.4265 4.7466 5.0399 9.7415 9.7839 11.6127 12.0448 13.5932 13.6551 15.5627 15.6954 17.5925 17.7068 18.2170 18.3853 19.6190 19.9706 k = 0.2667 0.4619-0.0000 ( 1027 PWs) bands (ev): -47.1392 -47.1392 -21.4607 -21.4498 -14.0949 -14.0425 -13.4423 -13.4252 4.7130 4.9955 9.7338 9.7741 11.6895 12.1126 13.6036 13.6643 15.4735 15.6005 17.6377 17.7457 18.2535 18.4281 19.6962 20.0419 k = 0.2615 0.4530-0.0000 ( 1023 PWs) bands (ev): -47.1396 -47.1396 -21.4589 -21.4482 -14.0894 -14.0384 -13.4402 -13.4237 4.6767 4.9480 9.7299 9.7674 11.7670 12.1817 13.6155 13.6748 15.3845 15.5063 17.6812 17.7832 18.2923 18.4723 19.7723 20.1120 k = 0.2564 0.4441-0.0000 ( 1023 PWs) bands (ev): -47.1400 -47.1400 -21.4570 -21.4467 -14.0835 -14.0340 -13.4382 -13.4222 4.6375 4.8972 9.7301 9.7640 11.8450 12.2516 13.6288 13.6868 15.2958 15.4128 17.7233 17.8201 18.3332 18.5179 19.8459 20.1793 k = 0.2513 0.4352-0.0000 ( 1019 PWs) bands (ev): -47.1404 -47.1404 -21.4549 -21.4449 -14.0771 -14.0290 -13.4361 -13.4206 4.5955 4.8436 9.7344 9.7642 11.9230 12.3220 13.6436 13.7003 15.2076 15.3201 17.7641 17.8566 18.3762 18.5648 19.9155 20.2425 k = 0.2462 0.4264-0.0000 ( 1019 PWs) bands (ev): -47.1409 -47.1409 -21.4528 -21.4431 -14.0703 -14.0238 -13.4339 -13.4190 4.5510 4.7872 9.7429 9.7680 12.0006 12.3923 13.6599 13.7154 15.1200 15.2284 17.8040 17.8933 18.4209 18.6127 19.9800 20.3002 k = 0.2410 0.4175-0.0000 ( 1019 PWs) bands (ev): -47.1414 -47.1414 -21.4505 -21.4412 -14.0630 -14.0181 -13.4318 -13.4174 4.5039 4.7282 9.7556 9.7756 12.0775 12.4622 13.6779 13.7321 15.0331 15.1378 17.8434 17.9303 18.4674 18.6616 20.0382 20.3514 k = 0.2359 0.4086-0.0000 ( 1025 PWs) bands (ev): -47.1420 -47.1420 -21.4483 -21.4393 -14.0554 -14.0121 -13.4296 -13.4158 4.4544 4.6668 9.7724 9.7871 12.1534 12.5313 13.6976 13.7504 14.9470 15.0483 17.8823 17.9680 18.5154 18.7114 20.0894 20.3951 k = 0.2308 0.3997-0.0000 ( 1025 PWs) bands (ev): -47.1426 -47.1426 -21.4458 -21.4371 -14.0472 -14.0055 -13.4274 -13.4141 4.4027 4.6033 9.7933 9.8025 12.2278 12.5992 13.7189 13.7705 14.8618 14.9601 17.9211 18.0065 18.5648 18.7619 20.1328 20.4306 k = 0.2256 0.3908-0.0000 ( 1025 PWs) bands (ev): -47.1432 -47.1432 -21.4432 -21.4348 -14.0386 -13.9985 -13.4251 -13.4124 4.3489 4.5378 9.8181 9.8218 12.3005 12.6655 13.7418 13.7923 14.7776 14.8732 17.9600 18.0461 18.6153 18.8129 20.1683 20.4575 k = 0.2205 0.3819-0.0000 ( 1025 PWs) bands (ev): -47.1438 -47.1438 -21.4404 -21.4324 -14.0295 -13.9911 -13.4229 -13.4108 4.2932 4.4707 9.8451 9.8470 12.3711 12.7299 13.7665 13.8159 14.6945 14.7878 17.9992 18.0868 18.6668 18.8644 20.1956 20.4757 k = 0.2154 0.3731-0.0000 ( 1027 PWs) bands (ev): -47.1444 -47.1444 -21.4376 -21.4300 -14.0200 -13.9834 -13.4207 -13.4091 4.2357 4.4020 9.8723 9.8796 12.4393 12.7920 13.7929 13.8412 14.6126 14.7040 18.0388 18.1287 18.7190 18.9162 20.2149 20.4856 k = 0.2103 0.3642-0.0000 ( 1027 PWs) bands (ev): -47.1451 -47.1451 -21.4347 -21.4274 -14.0101 -13.9751 -13.4184 -13.4074 4.1766 4.3321 9.9033 9.9160 12.5047 12.8513 13.8209 13.8684 14.5320 14.6219 18.0789 18.1720 18.7719 18.9680 20.2268 20.4877 k = 0.2051 0.3553-0.0000 ( 1025 PWs) bands (ev): -47.1458 -47.1458 -21.4315 -21.4246 -13.9998 -13.9665 -13.4162 -13.4057 4.1160 4.2611 9.9382 9.9561 12.5671 12.9075 13.8504 13.8974 14.4529 14.5418 18.1199 18.2167 18.8252 19.0198 20.2320 20.4828 k = 0.2000 0.3464-0.0000 ( 1027 PWs) bands (ev): -47.1465 -47.1465 -21.4284 -21.4219 -13.9892 -13.9575 -13.4140 -13.4041 4.0543 4.1891 9.9768 9.9996 12.6260 12.9603 13.8813 13.9282 14.3753 14.4637 18.1617 18.2628 18.8787 19.0715 20.2313 20.4720 k = 0.1949 0.3375-0.0000 ( 1025 PWs) bands (ev): -47.1473 -47.1473 -21.4252 -21.4190 -13.9781 -13.9481 -13.4118 -13.4024 3.9914 4.1166 10.0190 10.0466 12.6811 13.0092 13.9134 13.9607 14.2993 14.3881 18.2047 18.3105 18.9322 19.1227 20.2258 20.4565 k = 0.1897 0.3286-0.0000 ( 1025 PWs) bands (ev): -47.1480 -47.1480 -21.4218 -21.4160 -13.9667 -13.9384 -13.4096 -13.4008 3.9277 4.0435 10.0648 10.0968 12.7322 13.0540 13.9459 13.9949 14.2251 14.3158 18.2488 18.3597 18.9856 19.1734 20.2165 20.4374 k = 0.1846 0.3198-0.0000 ( 1025 PWs) bands (ev): -47.1488 -47.1488 -21.4185 -21.4130 -13.9551 -13.9284 -13.4075 -13.3991 3.8633 3.9702 10.1141 10.1503 12.7790 13.0942 13.9773 14.0305 14.1532 14.2482 18.2943 18.4105 19.0387 19.2235 20.2046 20.4161 k = 0.1795 0.3109-0.0000 ( 1029 PWs) bands (ev): -47.1496 -47.1496 -21.4151 -21.4100 -13.9433 -13.9182 -13.4054 -13.3976 3.7983 3.8967 10.1667 10.2068 12.8212 13.1296 14.0031 14.0615 14.0896 14.1901 18.3413 18.4630 19.0914 19.2726 20.1913 20.3937 k = 0.1744 0.3020-0.0000 ( 1029 PWs) bands (ev): -47.1504 -47.1504 -21.4116 -21.4068 -13.9311 -13.9076 -13.4033 -13.3960 3.7330 3.8233 10.2225 10.2662 12.8586 13.1598 14.0093 14.0112 14.1112 14.1554 18.3901 18.5172 19.1434 19.3208 20.1774 20.3711 k = 0.1692 0.2931-0.0000 ( 1029 PWs) bands (ev): -47.1512 -47.1512 -21.4081 -21.4036 -13.9187 -13.8967 -13.4013 -13.3944 3.6675 3.7502 10.2815 10.3285 12.8909 13.1847 13.9459 13.9804 14.1517 14.1598 18.4406 18.5732 19.1947 19.3677 20.1640 20.3493 k = 0.1641 0.2842-0.0000 ( 1033 PWs) bands (ev): -47.1520 -47.1520 -21.4046 -21.4005 -13.9062 -13.8858 -13.3993 -13.3929 3.6020 3.6774 10.3435 10.3934 12.9181 13.2038 13.8827 13.9305 14.1892 14.1943 18.4932 18.6309 19.2450 19.4134 20.1518 20.3288 k = 0.1590 0.2754-0.0000 ( 1029 PWs) bands (ev): -47.1528 -47.1528 -21.4009 -21.3971 -13.8935 -13.8745 -13.3973 -13.3913 3.5366 3.6053 10.4084 10.4609 12.9400 13.2169 13.8220 13.8748 14.2283 14.2387 18.5480 18.6905 19.2944 19.4577 20.1414 20.3104 k = 0.1538 0.2665-0.0000 ( 1025 PWs) bands (ev): -47.1536 -47.1536 -21.3972 -21.3937 -13.8805 -13.8629 -13.3953 -13.3898 3.4715 3.5338 10.4760 10.5308 12.9565 13.2240 13.7644 13.8186 14.2720 14.2846 18.6050 18.7519 19.3425 19.5005 20.1335 20.2942 k = 0.1487 0.2576-0.0000 ( 1033 PWs) bands (ev): -47.1545 -47.1545 -21.3938 -21.3906 -13.8678 -13.8516 -13.3935 -13.3885 3.4069 3.4632 10.5461 10.6030 12.9677 13.2247 13.7100 13.7636 14.3184 14.3319 18.6643 18.8151 19.3894 19.5417 20.1282 20.2805 k = 0.1436 0.2487-0.0000 ( 1033 PWs) bands (ev): -47.1553 -47.1553 -21.3902 -21.3873 -13.8548 -13.8399 -13.3917 -13.3870 3.3429 3.3936 10.6187 10.6773 12.9736 13.2191 13.6592 13.7106 14.3668 14.3805 18.7260 18.8801 19.4349 19.5813 20.1259 20.2692 k = 0.1385 0.2398-0.0000 ( 1033 PWs) bands (ev): -47.1562 -47.1562 -21.3867 -21.3839 -13.8418 -13.8282 -13.3899 -13.3856 3.2797 3.3252 10.6936 10.7535 12.9743 13.2072 13.6121 13.6600 14.4168 14.4303 18.7902 18.9468 19.4790 19.6193 20.1266 20.2603 k = 0.1333 0.2309-0.0000 ( 1033 PWs) bands (ev): -47.1570 -47.1570 -21.3831 -21.3806 -13.8288 -13.8165 -13.3882 -13.3843 3.2174 3.2580 10.7706 10.8316 12.9702 13.1893 13.5686 13.6117 14.4682 14.4812 18.8568 19.0152 19.5215 19.6557 20.1302 20.2533 k = 0.1282 0.2221-0.0000 ( 1033 PWs) bands (ev): -47.1578 -47.1578 -21.3796 -21.3774 -13.8160 -13.8048 -13.3864 -13.3829 3.1561 3.1923 10.8495 10.9113 12.9615 13.1660 13.5285 13.5660 14.5206 14.5330 18.9257 19.0851 19.5623 19.6906 20.1366 20.2477 k = 0.1231 0.2132-0.0000 ( 1033 PWs) bands (ev): -47.1586 -47.1586 -21.3761 -21.3741 -13.8032 -13.7932 -13.3847 -13.3815 3.0961 3.1280 10.9301 10.9924 12.9486 13.1381 13.4915 13.5227 14.5740 14.5857 18.9968 19.1564 19.6014 19.7241 20.1455 20.2427 k = 0.1179 0.2043-0.0000 ( 1029 PWs) bands (ev): -47.1594 -47.1594 -21.3726 -21.3708 -13.7905 -13.7815 -13.3830 -13.3801 3.0373 3.0655 11.0122 11.0748 12.9321 13.1064 13.4568 13.4816 14.6281 14.6391 19.0700 19.2289 19.6387 19.7563 20.1567 20.2366 k = 0.1128 0.1954-0.0000 ( 1025 PWs) bands (ev): -47.1602 -47.1602 -21.3691 -21.3676 -13.7781 -13.7701 -13.3813 -13.3787 2.9801 3.0047 11.0956 11.1582 12.9125 13.0721 13.4239 13.4427 14.6828 14.6930 19.1449 19.3021 19.6741 19.7873 20.1696 20.2271 k = 0.1077 0.1865-0.0000 ( 1023 PWs) bands (ev): -47.1609 -47.1609 -21.3658 -21.3644 -13.7659 -13.7588 -13.3796 -13.3774 2.9243 2.9458 11.1801 11.2423 12.8903 13.0359 13.3924 13.4057 14.7379 14.7472 19.2213 19.3757 19.7076 19.8174 20.1840 20.2094 k = 0.1026 0.1776-0.0000 ( 1027 PWs) bands (ev): -47.1617 -47.1617 -21.3627 -21.3615 -13.7541 -13.7479 -13.3781 -13.3761 2.8703 2.8888 11.2654 11.3270 12.8662 12.9987 13.3618 13.3704 14.7931 14.8016 19.2987 19.4493 19.7388 19.8467 20.1759 20.1992 k = 0.0974 0.1688-0.0000 ( 1027 PWs) bands (ev): -47.1624 -47.1624 -21.3596 -21.3586 -13.7426 -13.7372 -13.3766 -13.3748 2.8181 2.8340 11.3511 11.4119 12.8407 12.9612 13.3318 13.3367 14.8483 14.8560 19.3768 19.5222 19.7673 19.8755 20.1179 20.2139 k = 0.0923 0.1599-0.0000 ( 1031 PWs) bands (ev): -47.1631 -47.1631 -21.3567 -21.3558 -13.7316 -13.7269 -13.3751 -13.3736 2.7678 2.7813 11.4371 11.4967 12.8143 12.9238 13.3024 13.3043 14.9033 14.9102 19.4550 19.5936 19.7913 19.9041 20.0353 20.1290 k = 0.0872 0.1510-0.0000 ( 1023 PWs) bands (ev): -47.1638 -47.1638 -21.3536 -21.3529 -13.7206 -13.7166 -13.3735 -13.3722 2.7196 2.7310 11.5230 11.5811 12.7875 12.8871 13.2733 13.2734 14.9577 14.9638 19.5327 19.6624 19.8023 19.9325 19.9452 19.9889 k = 0.0821 0.1421-0.0000 ( 1023 PWs) bands (ev): -47.1644 -47.1644 -21.3509 -21.3502 -13.7103 -13.7069 -13.3720 -13.3709 2.6735 2.6830 11.6083 11.6648 12.7608 12.8513 13.2435 13.2450 15.0114 15.0168 19.6086 19.7271 19.7608 19.8496 19.8971 19.9636 k = 0.0769 0.1332-0.0000 ( 1023 PWs) bands (ev): -47.1650 -47.1650 -21.3483 -21.3477 -13.7005 -13.6977 -13.3706 -13.3696 2.6297 2.6375 11.6928 11.7473 12.7345 12.8167 13.2148 13.2172 15.0642 15.0688 19.6540 19.6886 19.7148 19.7860 19.9035 19.9954 k = 0.0718 0.1244-0.0000 ( 1023 PWs) bands (ev): -47.1656 -47.1656 -21.3458 -21.3453 -13.6911 -13.6888 -13.3692 -13.3684 2.5882 2.5945 11.7760 11.8282 12.7090 12.7836 13.1873 13.1902 15.1156 15.1195 19.5439 19.5841 19.7537 19.8369 19.9240 20.0300 k = 0.0667 0.1155-0.0000 ( 1017 PWs) bands (ev): -47.1662 -47.1662 -21.3432 -21.3429 -13.6822 -13.6803 -13.3677 -13.3671 2.5491 2.5542 11.8574 11.9071 12.6847 12.7521 13.1609 13.1639 15.1654 15.1687 19.4286 19.4580 19.8156 19.8787 19.9501 20.0668 k = 0.0615 0.1066-0.0000 ( 1013 PWs) bands (ev): -47.1667 -47.1667 -21.3409 -21.3407 -13.6739 -13.6724 -13.3663 -13.3659 2.5125 2.5166 11.9366 11.9835 12.6616 12.7224 13.1358 13.1386 15.2134 15.2161 19.3154 19.3373 19.8660 19.9113 19.9827 20.1029 k = 0.0564 0.0977-0.0000 ( 1013 PWs) bands (ev): -47.1672 -47.1672 -21.3389 -21.3387 -13.6662 -13.6651 -13.3651 -13.3647 2.4786 2.4817 12.0130 12.0568 12.6402 12.6947 13.1118 13.1144 15.2591 15.2613 19.2064 19.2227 19.9021 19.9358 20.0219 20.1330 k = 0.0513 0.0888-0.0000 ( 1013 PWs) bands (ev): -47.1676 -47.1676 -21.3370 -21.3368 -13.6592 -13.6583 -13.3640 -13.3637 2.4473 2.4496 12.0860 12.1264 12.6208 12.6692 13.0892 13.0913 15.3024 15.3040 19.1029 19.1149 19.9262 19.9535 20.0626 20.1512 k = 0.0462 0.0799-0.0000 ( 1013 PWs) bands (ev): -47.1680 -47.1680 -21.3353 -21.3352 -13.6528 -13.6521 -13.3629 -13.3626 2.4188 2.4205 12.1549 12.1916 12.6035 12.6460 13.0678 13.0695 15.3428 15.3440 19.0059 19.0145 19.9421 19.9655 20.0970 20.1560 k = 0.0410 0.0711-0.0000 ( 1013 PWs) bands (ev): -47.1684 -47.1684 -21.3337 -21.3336 -13.6470 -13.6466 -13.3619 -13.3617 2.3930 2.3942 12.2192 12.2517 12.5887 12.6254 13.0478 13.0490 15.3800 15.3809 18.9163 18.9223 19.9525 19.9722 20.1198 20.1517 k = 0.0359 0.0622-0.0000 ( 1013 PWs) bands (ev): -47.1688 -47.1688 -21.3323 -21.3323 -13.6419 -13.6416 -13.3609 -13.3608 2.3702 2.3710 12.2778 12.3058 12.5768 12.6077 13.0292 13.0301 15.4137 15.4144 18.8349 18.8389 19.9584 19.9741 20.1302 20.1438 k = 0.0308 0.0533-0.0000 ( 1011 PWs) bands (ev): -47.1690 -47.1690 -21.3311 -21.3310 -13.6374 -13.6372 -13.3601 -13.3600 2.3503 2.3508 12.3299 12.3527 12.5685 12.5932 13.0122 13.0127 15.4437 15.4441 18.7626 18.7651 19.9605 19.9719 20.1320 20.1361 k = 0.0256 0.0444-0.0000 ( 1009 PWs) bands (ev): -47.1693 -47.1693 -21.3300 -21.3300 -13.6336 -13.6335 -13.3593 -13.3593 2.3333 2.3336 12.3741 12.3912 12.5644 12.5827 12.9969 12.9971 15.4696 15.4698 18.6999 18.7014 19.9593 19.9666 20.1298 20.1302 k = 0.0205 0.0355-0.0000 ( 1009 PWs) bands (ev): -47.1695 -47.1695 -21.3292 -21.3291 -13.6305 -13.6305 -13.3587 -13.3587 2.3194 2.3195 12.4092 12.4202 12.5651 12.5767 12.9834 12.9836 15.4911 15.4912 18.6477 18.6485 19.9559 19.9599 20.1262 20.1267 k = 0.0154 0.0266-0.0000 ( 1013 PWs) bands (ev): -47.1697 -47.1697 -21.3286 -21.3286 -13.6282 -13.6282 -13.3583 -13.3583 2.3085 2.3086 12.4341 12.4395 12.5698 12.5755 12.9723 12.9723 15.5081 15.5082 18.6064 18.6067 19.9514 19.9531 20.1238 20.1242 k = 0.0103 0.0178-0.0000 ( 1013 PWs) bands (ev): -47.1698 -47.1698 -21.3281 -21.3281 -13.6265 -13.6265 -13.3580 -13.3580 2.3007 2.3007 12.4491 12.4509 12.5764 12.5783 12.9638 12.9639 15.5204 15.5204 18.5766 18.5766 19.9471 19.9476 20.1224 20.1226 k = 0.0051 0.0089-0.0000 ( 1013 PWs) bands (ev): -47.1698 -47.1698 -21.3278 -21.3278 -13.6255 -13.6255 -13.3578 -13.3578 2.2960 2.2960 12.4564 12.4566 12.5818 12.5820 12.9585 12.9585 15.5278 15.5278 18.5585 18.5585 19.9440 19.9440 20.1217 20.1217 k = 0.0000 0.0000 0.0000 ( 1021 PWs) bands (ev): -47.1699 -47.1699 -21.3280 -21.3280 -13.6253 -13.6253 -13.3578 -13.3578 2.2944 2.2944 12.4584 12.4584 12.5837 12.5837 12.9567 12.9567 15.5303 15.5303 18.5524 18.5524 19.9428 19.9428 20.1215 20.1215 k = 0.0000 0.0000 0.0000 ( 1021 PWs) bands (ev): -47.1699 -47.1699 -21.3280 -21.3280 -13.6253 -13.6253 -13.3578 -13.3578 2.2944 2.2944 12.4584 12.4584 12.5837 12.5837 12.9567 12.9567 15.5303 15.5303 18.5524 18.5524 19.9428 19.9428 20.1215 20.1215 k = 0.0000 0.0000 0.0103 ( 1021 PWs) bands (ev): -47.1698 -47.1698 -21.3281 -21.3281 -13.6252 -13.6252 -13.3585 -13.3585 2.2963 2.2963 12.4575 12.4611 12.5846 12.5846 12.9548 12.9548 15.5302 15.5302 18.5550 18.5550 19.9149 19.9149 20.0030 20.2182 k = 0.0000 0.0000 0.0206 ( 1009 PWs) bands (ev): -47.1697 -47.1697 -21.3281 -21.3281 -13.6247 -13.6247 -13.3603 -13.3603 2.3018 2.3018 12.4584 12.4657 12.5871 12.5871 12.9491 12.9491 15.5301 15.5301 18.5626 18.5626 19.8421 19.8421 19.8769 20.2256 k = 0.0000 0.0000 0.0308 ( 1009 PWs) bands (ev): -47.1694 -47.1694 -21.3287 -21.3287 -13.6242 -13.6242 -13.3637 -13.3637 2.3110 2.3110 12.4611 12.4720 12.5913 12.5913 12.9393 12.9393 15.5303 15.5303 18.5752 18.5752 19.7427 19.7427 19.7465 20.1264 k = 0.0000 0.0000 0.0411 ( 1009 PWs) bands (ev): -47.1691 -47.1691 -21.3296 -21.3296 -13.6235 -13.6235 -13.3683 -13.3683 2.3237 2.3237 12.4655 12.4801 12.5972 12.5972 12.9253 12.9253 15.5313 15.5313 18.5926 18.5926 19.6134 19.6288 19.6288 19.9994 k = 0.0000 0.0000 0.0514 ( 1009 PWs) bands (ev): -47.1687 -47.1687 -21.3306 -21.3306 -13.6227 -13.6227 -13.3742 -13.3742 2.3402 2.3402 12.4717 12.4900 12.6047 12.6047 12.9067 12.9067 15.5337 15.5337 18.6146 18.6146 19.4782 19.5070 19.5070 19.8652 k = 0.0000 0.0000 0.0617 ( 1009 PWs) bands (ev): -47.1682 -47.1682 -21.3319 -21.3319 -13.6217 -13.6217 -13.3814 -13.3814 2.3602 2.3602 12.4797 12.5017 12.6137 12.6137 12.8831 12.8831 15.5385 15.5385 18.6408 18.6408 19.3417 19.3806 19.3806 19.7280 k = 0.0000 0.0000 0.0720 ( 1009 PWs) bands (ev): -47.1677 -47.1677 -21.3335 -21.3335 -13.6205 -13.6205 -13.3898 -13.3898 2.3837 2.3837 12.4894 12.5152 12.6243 12.6243 12.8542 12.8542 15.5465 15.5465 18.6711 18.6711 19.2044 19.2516 19.2516 19.5894 k = 0.0000 0.0000 0.0823 ( 1009 PWs) bands (ev): -47.1670 -47.1670 -21.3352 -21.3352 -13.6192 -13.6192 -13.3994 -13.3994 2.4108 2.4108 12.5008 12.5304 12.6361 12.6361 12.8196 12.8196 15.5586 15.5586 18.7052 18.7052 19.0666 19.1213 19.1213 19.4502 k = 0.0000 0.0000 0.0925 ( 1009 PWs) bands (ev): -47.1663 -47.1663 -21.3372 -21.3372 -13.6176 -13.6176 -13.4101 -13.4101 2.4413 2.4413 12.5139 12.5474 12.6485 12.6485 12.7796 12.7796 15.5757 15.5757 18.7426 18.7426 18.9288 18.9905 18.9905 19.3110 k = 0.0000 0.0000 0.1028 ( 1009 PWs) bands (ev): -47.1655 -47.1655 -21.3394 -21.3394 -13.6159 -13.6159 -13.4220 -13.4220 2.4752 2.4752 12.5286 12.5660 12.6591 12.6591 12.7363 12.7363 15.5987 15.5987 18.7827 18.7827 18.7912 18.8604 18.8604 19.1722 k = 0.0000 0.0000 0.1131 ( 1009 PWs) bands (ev): -47.1646 -47.1646 -21.3418 -21.3418 -13.6140 -13.6140 -13.4349 -13.4349 2.5125 2.5125 12.5450 12.5864 12.6501 12.6501 12.7072 12.7072 15.6283 15.6283 18.6543 18.7291 18.7291 18.8276 18.8276 19.0342 k = 0.0000 0.0000 0.1234 ( 1015 PWs) bands (ev): -47.1636 -47.1636 -21.3445 -21.3445 -13.6122 -13.6122 -13.4488 -13.4488 2.5531 2.5531 12.5629 12.6001 12.6001 12.6083 12.7133 12.7133 15.6651 15.6651 18.5183 18.6006 18.6006 18.8734 18.8734 18.8974 k = 0.0000 0.0000 0.1337 ( 1015 PWs) bands (ev): -47.1626 -47.1626 -21.3473 -21.3473 -13.6100 -13.6100 -13.4636 -13.4636 2.5969 2.5969 12.5335 12.5335 12.5823 12.6319 12.7305 12.7305 15.7096 15.7096 18.3835 18.4734 18.4734 18.7619 18.9220 18.9220 k = 0.0000 0.0000 0.1439 ( 1003 PWs) bands (ev): -47.1614 -47.1614 -21.3500 -21.3500 -13.6075 -13.6075 -13.4790 -13.4790 2.6439 2.6439 12.4581 12.4581 12.6033 12.6571 12.7509 12.7509 15.7620 15.7620 18.2502 18.3480 18.3480 18.6282 18.9728 18.9728 k = 0.0000 0.0000 0.1542 ( 1002 PWs) bands (ev): -47.1603 -47.1603 -21.3531 -21.3531 -13.6051 -13.6051 -13.4955 -13.4955 2.6939 2.6939 12.3752 12.3752 12.6256 12.6837 12.7732 12.7732 15.8225 15.8225 18.1185 18.2248 18.2248 18.4964 19.0257 19.0257 k = 0.0000 0.0000 0.1645 ( 1020 PWs) bands (ev): -47.1591 -47.1591 -21.3569 -21.3569 -13.6027 -13.6027 -13.5131 -13.5131 2.7469 2.7469 12.2856 12.2856 12.6494 12.7119 12.7970 12.7970 15.8911 15.8911 17.9888 18.1039 18.1039 18.3666 19.0807 19.0807 k = 0.0000 0.0000 0.1748 ( 1032 PWs) bands (ev): -47.1579 -47.1579 -21.3608 -21.3608 -13.6002 -13.6002 -13.5313 -13.5313 2.8028 2.8028 12.1897 12.1897 12.6745 12.7414 12.8221 12.8221 15.9677 15.9677 17.8611 17.9858 17.9858 18.2393 19.1375 19.1375 k = 0.0000 0.0000 0.1851 ( 1032 PWs) bands (ev): -47.1566 -47.1566 -21.3644 -21.3644 -13.5974 -13.5974 -13.5498 -13.5498 2.8616 2.8616 12.0880 12.0880 12.7008 12.7723 12.8485 12.8485 16.0522 16.0522 17.7358 17.8708 17.8708 18.1145 19.1961 19.1961 k = 0.0000 0.0000 0.1954 ( 1032 PWs) bands (ev): -47.1552 -47.1552 -21.3682 -21.3682 -13.5946 -13.5946 -13.5687 -13.5687 2.9231 2.9231 11.9810 11.9810 12.7283 12.8044 12.8759 12.8759 16.1441 16.1441 17.6131 17.7591 17.7591 17.9924 19.2565 19.2565 k = 0.0000 0.0000 0.2056 ( 1032 PWs) bands (ev): -47.1538 -47.1538 -21.3721 -21.3721 -13.5916 -13.5916 -13.5881 -13.5881 2.9873 2.9873 11.8693 11.8693 12.7569 12.8378 12.9042 12.9042 16.2431 16.2431 17.4931 17.6511 17.6511 17.8733 19.3187 19.3187 k = 0.0000 0.0000 0.2159 ( 1032 PWs) bands (ev): -47.1523 -47.1523 -21.3762 -21.3762 -13.6079 -13.6079 -13.5886 -13.5886 3.0541 3.0541 11.7531 11.7531 12.7865 12.8722 12.9334 12.9334 16.3485 16.3485 17.3760 17.5474 17.5474 17.7572 19.3827 19.3827 k = 0.0000 0.0000 0.2262 ( 1032 PWs) bands (ev): -47.1509 -47.1509 -21.3803 -21.3803 -13.6279 -13.6279 -13.5855 -13.5855 3.1233 3.1233 11.6331 11.6331 12.8171 12.9076 12.9633 12.9633 16.4594 16.4594 17.2619 17.4486 17.4486 17.6443 19.4484 19.4484 k = 0.0000 0.0000 0.2365 ( 1032 PWs) bands (ev): -47.1493 -47.1493 -21.3845 -21.3845 -13.6482 -13.6482 -13.5823 -13.5823 3.1950 3.1950 11.5097 11.5097 12.8485 12.9440 12.9938 12.9938 16.5742 16.5742 17.1512 17.3561 17.3561 17.5348 19.5161 19.5161 k = 0.0000 0.0000 0.2468 ( 1032 PWs) bands (ev): -47.1478 -47.1478 -21.3888 -21.3888 -13.6686 -13.6686 -13.5791 -13.5791 3.2689 3.2689 11.3833 11.3833 12.8806 12.9811 13.0247 13.0247 16.6898 16.6898 17.0438 17.2729 17.2729 17.4288 19.5858 19.5858 k = 0.0000 0.0000 0.2571 ( 1032 PWs) bands (ev): -47.1463 -47.1463 -21.3931 -21.3931 -13.6891 -13.6891 -13.5759 -13.5759 3.3451 3.3451 11.2543 11.2543 12.9134 13.0188 13.0560 13.0560 16.7977 16.7977 16.9401 17.2070 17.2070 17.3264 19.6577 19.6577 k = 0.0000 0.0000 0.2673 ( 1038 PWs) bands (ev): -47.1447 -47.1447 -21.3977 -21.3977 -13.7098 -13.7098 -13.5726 -13.5726 3.4233 3.4233 11.1231 11.1231 12.9466 13.0571 13.0875 13.0875 16.8402 16.8730 16.8730 17.1830 17.1830 17.2278 19.7318 19.7318 k = 0.0000 0.0000 0.2776 ( 1032 PWs) bands (ev): -47.1432 -47.1432 -21.4020 -21.4020 -13.7300 -13.7300 -13.5692 -13.5692 3.5035 3.5035 10.9901 10.9901 12.9803 13.0957 13.1189 13.1189 16.7441 16.8804 16.8804 17.1330 17.2360 17.2360 19.8085 19.8085 k = 0.0000 0.0000 0.2879 ( 1032 PWs) bands (ev): -47.1416 -47.1416 -21.4064 -21.4064 -13.7503 -13.7503 -13.5659 -13.5659 3.5856 3.5856 10.8556 10.8556 13.0143 13.1346 13.1503 13.1503 16.6522 16.8386 16.8386 17.0422 17.3467 17.3467 19.8878 19.8878 k = 0.0000 0.0000 0.2982 ( 1032 PWs) bands (ev): -47.1401 -47.1401 -21.4109 -21.4109 -13.7704 -13.7704 -13.5627 -13.5627 3.6695 3.6695 10.7200 10.7200 13.0484 13.1734 13.1813 13.1813 16.5646 16.7813 16.7813 16.9554 17.4808 17.4808 19.9702 19.9702 k = 0.0000 0.0000 0.3085 ( 1026 PWs) bands (ev): -47.1385 -47.1385 -21.4152 -21.4152 -13.7900 -13.7900 -13.5594 -13.5594 3.7550 3.7550 10.5836 10.5836 13.0825 13.2118 13.2118 13.2121 16.4814 16.7214 16.7214 16.8728 17.6250 17.6250 20.0559 20.0559 k = 0.0000 0.0000 0.3187 ( 1026 PWs) bands (ev): -47.1370 -47.1370 -21.4196 -21.4196 -13.8094 -13.8094 -13.5561 -13.5561 3.8421 3.8421 10.4467 10.4467 13.1164 13.2417 13.2417 13.2504 16.4029 16.6632 16.6632 16.7944 17.7741 17.7741 20.1452 20.1452 k = 0.0000 0.0000 0.3290 ( 1026 PWs) bands (ev): -47.1355 -47.1355 -21.4240 -21.4240 -13.8285 -13.8285 -13.5530 -13.5530 3.9305 3.9305 10.3096 10.3096 13.1501 13.2707 13.2707 13.2881 16.3291 16.6083 16.6083 16.7202 17.9258 17.9258 20.2381 20.2381 k = 0.0000 0.0000 0.3393 ( 1038 PWs) bands (ev): -47.1340 -47.1340 -21.4286 -21.4286 -13.8473 -13.8473 -13.5501 -13.5501 4.0201 4.0201 10.1726 10.1726 13.1834 13.2988 13.2988 13.3249 16.2603 16.5576 16.5576 16.6502 18.0782 18.0782 20.3324 20.3324 k = 0.0000 0.0000 0.3496 ( 1038 PWs) bands (ev): -47.1326 -47.1326 -21.4328 -21.4328 -13.8654 -13.8654 -13.5470 -13.5470 4.1109 4.1109 10.0360 10.0360 13.2161 13.3257 13.3257 13.3607 16.1965 16.5115 16.5115 16.5846 18.2299 18.2299 20.2740 20.3911 k = 0.0000 0.0000 0.3599 ( 1038 PWs) bands (ev): -47.1311 -47.1311 -21.4370 -21.4370 -13.8829 -13.8829 -13.5441 -13.5441 4.2025 4.2025 9.9001 9.9001 13.2482 13.3513 13.3513 13.3952 16.1380 16.4702 16.4702 16.5232 18.3795 18.3795 20.1861 20.3204 k = 0.0000 0.0000 0.3702 ( 1038 PWs) bands (ev): -47.1298 -47.1298 -21.4410 -21.4410 -13.8999 -13.8999 -13.5412 -13.5411 4.2949 4.2949 9.7652 9.7652 13.2794 13.3755 13.3755 13.4282 16.0849 16.4339 16.4339 16.4661 18.5256 18.5256 20.0990 20.2273 k = 0.0000 0.0000 0.3804 ( 1038 PWs) bands (ev): -47.1284 -47.1284 -21.4450 -21.4450 -13.9161 -13.9161 -13.5383 -13.5383 4.3877 4.3877 9.6316 9.6316 13.3097 13.3982 13.3982 13.4594 16.0372 16.4026 16.4026 16.4131 18.6667 18.6667 20.0132 20.1328 k = 0.0000 0.0000 0.3907 ( 1038 PWs) bands (ev): -47.1272 -47.1272 -21.4488 -21.4488 -13.9317 -13.9317 -13.5356 -13.5356 4.4808 4.4808 9.4997 9.4997 13.3390 13.4192 13.4192 13.4886 15.9951 16.3641 16.3761 16.3761 18.8015 18.8015 19.9292 20.0397 k = 0.0000 0.0000 0.4010 ( 1038 PWs) bands (ev): -47.1259 -47.1259 -21.4524 -21.4524 -13.9466 -13.9466 -13.5330 -13.5330 4.5738 4.5738 9.3699 9.3699 13.3671 13.4385 13.4385 13.5157 15.9585 16.3191 16.3544 16.3544 18.9284 18.9284 19.8475 19.9491 k = 0.0000 0.0000 0.4113 ( 1038 PWs) bands (ev): -47.1248 -47.1248 -21.4559 -21.4559 -13.9606 -13.9606 -13.5306 -13.5306 4.6665 4.6665 9.2424 9.2424 13.3940 13.4561 13.4561 13.5403 15.9275 16.2778 16.3374 16.3374 19.0457 19.0457 19.7687 19.8626 k = 0.0000 0.0000 0.4216 ( 1038 PWs) bands (ev): -47.1236 -47.1236 -21.4592 -21.4592 -13.9739 -13.9739 -13.5282 -13.5282 4.7584 4.7584 9.1179 9.1179 13.4196 13.4720 13.4720 13.5625 15.9020 16.2400 16.3246 16.3246 19.1514 19.1514 19.6932 19.7823 k = 0.0000 0.0000 0.4318 ( 1038 PWs) bands (ev): -47.1226 -47.1226 -21.4623 -21.4623 -13.9863 -13.9863 -13.5260 -13.5260 4.8492 4.8492 8.9967 8.9967 13.4439 13.4862 13.4862 13.5820 15.8818 16.2054 16.3159 16.3159 19.2414 19.2414 19.6216 19.7121 k = 0.0000 0.0000 0.4421 ( 1038 PWs) bands (ev): -47.1216 -47.1216 -21.4652 -21.4652 -13.9978 -13.9978 -13.5239 -13.5239 4.9382 4.9382 8.8795 8.8795 13.4667 13.4987 13.4987 13.5989 15.8668 16.1739 16.3108 16.3108 19.3080 19.3080 19.5544 19.6601 k = 0.0000 0.0000 0.4524 ( 1038 PWs) bands (ev): -47.1207 -47.1207 -21.4679 -21.4679 -14.0084 -14.0084 -13.5220 -13.5220 5.0249 5.0249 8.7669 8.7669 13.4882 13.5096 13.5096 13.6131 15.8566 16.1451 16.3088 16.3088 19.3377 19.3377 19.4921 19.6403 k = 0.0000 0.0000 0.4627 ( 1038 PWs) bands (ev): -47.1199 -47.1199 -21.4703 -21.4703 -14.0181 -14.0181 -13.5203 -13.5203 5.1085 5.1085 8.6598 8.6598 13.5083 13.5190 13.5190 13.6247 15.8511 16.1186 16.3095 16.3095 19.3256 19.3256 19.4351 19.6112 k = 0.0000 0.0000 0.4730 ( 1038 PWs) bands (ev): -47.1192 -47.1192 -21.4726 -21.4726 -14.0268 -14.0268 -13.5187 -13.5187 5.1882 5.1882 8.5589 8.5589 13.5270 13.5270 13.5270 13.6337 15.8497 16.0941 16.3124 16.3124 19.2881 19.2881 19.3839 19.5437 k = 0.0000 0.0000 0.4833 ( 1038 PWs) bands (ev): -47.1185 -47.1185 -21.4746 -21.4746 -14.0345 -14.0345 -13.5173 -13.5173 5.2630 5.2630 8.4654 8.4654 13.5337 13.5337 13.5444 13.6403 15.8522 16.0713 16.3168 16.3168 19.2423 19.2423 19.3390 19.4815 k = 0.0000 0.0000 0.4935 ( 1038 PWs) bands (ev): -47.1179 -47.1179 -21.4763 -21.4763 -14.0412 -14.0412 -13.5161 -13.5161 5.3318 5.3318 8.3802 8.3802 13.5393 13.5393 13.5604 13.6445 15.8579 16.0499 16.3221 16.3221 19.1964 19.1964 19.3008 19.4250 k = 0.0000 0.0000 0.5038 ( 1038 PWs) bands (ev): -47.1174 -47.1174 -21.4778 -21.4778 -14.0470 -14.0470 -13.5150 -13.5150 5.3933 5.3933 8.3048 8.3048 13.5437 13.5437 13.5751 13.6465 15.8666 16.0295 16.3279 16.3279 19.1544 19.1544 19.2696 19.3747 k = 0.0000 0.0000 0.5141 ( 1038 PWs) bands (ev): -47.1170 -47.1170 -21.4790 -21.4790 -14.0517 -14.0517 -13.5142 -13.5142 5.4463 5.4463 8.2405 8.2405 13.5472 13.5472 13.5885 13.6465 15.8776 16.0100 16.3335 16.3335 19.1183 19.1183 19.2457 19.3309 k = 0.0000 0.0000 0.5244 ( 1038 PWs) bands (ev): -47.1167 -47.1167 -21.4799 -21.4799 -14.0553 -14.0553 -13.5135 -13.5135 5.4893 5.4893 8.1886 8.1886 13.5499 13.5499 13.6006 13.6446 15.8906 15.9911 16.3384 16.3384 19.0892 19.0892 19.2293 19.2939 k = 0.0000 0.0000 0.5347 ( 1026 PWs) bands (ev): -47.1164 -47.1164 -21.4803 -21.4803 -14.0576 -14.0576 -13.5129 -13.5129 5.5212 5.5212 8.1505 8.1505 13.5517 13.5517 13.6114 13.6410 15.9052 15.9727 16.3422 16.3422 19.0679 19.0679 19.2207 19.2641 k = 0.0000 0.0000 0.5450 ( 1026 PWs) bands (ev): -47.1163 -47.1163 -21.4807 -21.4807 -14.0592 -14.0592 -13.5127 -13.5127 5.5408 5.5408 8.1271 8.1271 13.5527 13.5527 13.6209 13.6358 15.9209 15.9549 16.3447 16.3447 19.0550 19.0550 19.2199 19.2417 k = 0.0000 0.0000 0.5552 ( 1032 PWs) bands (ev): -47.1163 -47.1163 -21.4810 -21.4810 -14.0599 -14.0599 -13.5126 -13.5126 5.5473 5.5473 8.1192 8.1192 13.5531 13.5531 13.6290 13.6290 15.9375 15.9375 16.3455 16.3455 19.0506 19.0506 19.2269 19.2269 k = 0.0000 0.0000 0.5552 ( 1032 PWs) bands (ev): -47.1163 -47.1163 -21.4810 -21.4810 -14.0599 -14.0599 -13.5126 -13.5126 5.5473 5.5473 8.1192 8.1192 13.5531 13.5531 13.6290 13.6290 15.9375 15.9375 16.3455 16.3455 19.0506 19.0506 19.2269 19.2269 k = 0.0089 0.0052 0.5552 ( 1026 PWs) bands (ev): -47.1162 -47.1162 -21.4809 -21.4809 -14.0597 -14.0597 -13.5129 -13.5129 5.5469 5.5469 8.1213 8.1213 13.5513 13.5513 13.6272 13.6272 15.9363 15.9363 16.3440 16.3440 19.0520 19.0520 19.2282 19.2282 k = 0.0179 0.0103 0.5552 ( 1026 PWs) bands (ev): -47.1162 -47.1162 -21.4811 -21.4811 -14.0598 -14.0598 -13.5138 -13.5138 5.5454 5.5454 8.1273 8.1273 13.5461 13.5461 13.6218 13.6218 15.9322 15.9322 16.3400 16.3400 19.0558 19.0558 19.2325 19.2325 k = 0.0268 0.0155 0.5552 ( 1026 PWs) bands (ev): -47.1161 -47.1161 -21.4815 -21.4815 -14.0599 -14.0599 -13.5153 -13.5153 5.5428 5.5428 8.1374 8.1374 13.5373 13.5373 13.6129 13.6129 15.9244 15.9244 16.3346 16.3346 19.0611 19.0611 19.2410 19.2410 k = 0.0357 0.0206 0.5552 ( 1026 PWs) bands (ev): -47.1159 -47.1159 -21.4820 -21.4820 -14.0600 -14.0600 -13.5174 -13.5174 5.5393 5.5393 8.1514 8.1514 13.5249 13.5249 13.6007 13.6007 15.9117 15.9117 16.3296 16.3296 19.0661 19.0661 19.2553 19.2553 k = 0.0446 0.0258 0.5552 ( 1030 PWs) bands (ev): -47.1157 -47.1157 -21.4827 -21.4827 -14.0603 -14.0603 -13.5201 -13.5201 5.5348 5.5348 8.1694 8.1694 13.5089 13.5089 13.5853 13.5853 15.8926 15.8926 16.3274 16.3274 19.0695 19.0695 19.2769 19.2769 k = 0.0536 0.0309 0.5552 ( 1030 PWs) bands (ev): -47.1155 -47.1155 -21.4834 -21.4834 -14.0605 -14.0605 -13.5233 -13.5233 5.5294 5.5294 8.1912 8.1912 13.4893 13.4893 13.5670 13.5670 15.8660 15.8660 16.3297 16.3297 19.0704 19.0704 19.3070 19.3070 k = 0.0625 0.0361 0.5552 ( 1034 PWs) bands (ev): -47.1152 -47.1152 -21.4844 -21.4844 -14.0609 -14.0609 -13.5272 -13.5272 5.5230 5.5230 8.2169 8.2169 13.4661 13.4661 13.5458 13.5458 15.8312 15.8312 16.3382 16.3382 19.0689 19.0689 19.3456 19.3456 k = 0.0714 0.0412 0.5552 ( 1034 PWs) bands (ev): -47.1149 -47.1149 -21.4855 -21.4855 -14.0611 -14.0611 -13.5315 -13.5315 5.5157 5.5157 8.2463 8.2463 13.4394 13.4394 13.5220 13.5220 15.7886 15.7886 16.3535 16.3535 19.0656 19.0656 19.3923 19.3923 k = 0.0804 0.0464 0.5552 ( 1034 PWs) bands (ev): -47.1145 -47.1145 -21.4866 -21.4866 -14.0615 -14.0615 -13.5364 -13.5364 5.5076 5.5076 8.2793 8.2793 13.4093 13.4093 13.4957 13.4957 15.7389 15.7389 16.3756 16.3756 19.0612 19.0612 19.4465 19.4465 k = 0.0893 0.0515 0.5552 ( 1034 PWs) bands (ev): -47.1141 -47.1141 -21.4879 -21.4879 -14.0619 -14.0619 -13.5417 -13.5417 5.4986 5.4986 8.3158 8.3158 13.3761 13.3761 13.4670 13.4670 15.6835 15.6835 16.4043 16.4043 19.0568 19.0568 19.5074 19.5074 k = 0.0982 0.0567 0.5552 ( 1030 PWs) bands (ev): -47.1137 -47.1137 -21.4891 -21.4891 -14.0622 -14.0622 -13.5475 -13.5475 5.4889 5.4889 8.3558 8.3558 13.3400 13.3400 13.4359 13.4359 15.6235 15.6235 16.4390 16.4390 19.0530 19.0530 19.5746 19.5746 k = 0.1071 0.0619 0.5552 ( 1030 PWs) bands (ev): -47.1132 -47.1132 -21.4906 -21.4906 -14.0627 -14.0627 -13.5537 -13.5537 5.4784 5.4784 8.3990 8.3990 13.3014 13.3014 13.4024 13.4024 15.5601 15.5601 16.4793 16.4793 19.0504 19.0504 19.6474 19.6474 k = 0.1161 0.0670 0.5552 ( 1030 PWs) bands (ev): -47.1127 -47.1127 -21.4922 -21.4922 -14.0632 -14.0632 -13.5604 -13.5604 5.4671 5.4671 8.4452 8.4452 13.2605 13.2605 13.3666 13.3666 15.4946 15.4946 16.5248 16.5248 19.0496 19.0496 19.7253 19.7253 k = 0.1250 0.0722 0.5552 ( 1028 PWs) bands (ev): -47.1121 -47.1121 -21.4939 -21.4939 -14.0638 -14.0638 -13.5675 -13.5675 5.4552 5.4552 8.4945 8.4945 13.2175 13.2175 13.3286 13.3286 15.4278 15.4278 16.5753 16.5753 19.0511 19.0511 19.8079 19.8079 k = 0.1339 0.0773 0.5552 ( 1028 PWs) bands (ev): -47.1116 -47.1116 -21.4957 -21.4957 -14.0645 -14.0645 -13.5749 -13.5749 5.4427 5.4427 8.5465 8.5465 13.1729 13.1729 13.2884 13.2884 15.3605 15.3605 16.6304 16.6304 19.0552 19.0552 19.8949 19.8949 k = 0.1429 0.0825 0.5552 ( 1028 PWs) bands (ev): -47.1110 -47.1110 -21.4976 -21.4976 -14.0652 -14.0652 -13.5827 -13.5827 5.4297 5.4297 8.6010 8.6010 13.1268 13.1268 13.2461 13.2461 15.2936 15.2936 16.6900 16.6900 19.0623 19.0623 19.9857 19.9857 k = 0.1518 0.0876 0.5552 ( 1024 PWs) bands (ev): -47.1103 -47.1103 -21.4995 -21.4995 -14.0660 -14.0660 -13.5906 -13.5906 5.4161 5.4161 8.6579 8.6579 13.0796 13.0796 13.2019 13.2019 15.2277 15.2277 16.7538 16.7538 19.0725 19.0725 20.0800 20.0800 k = 0.1607 0.0928 0.5552 ( 1026 PWs) bands (ev): -47.1097 -47.1097 -21.5017 -21.5017 -14.0669 -14.0669 -13.5989 -13.5989 5.4020 5.4020 8.7170 8.7170 13.0315 13.0315 13.1558 13.1558 15.1634 15.1634 16.8217 16.8217 19.0861 19.0861 20.1775 20.1775 k = 0.1696 0.0979 0.5552 ( 1026 PWs) bands (ev): -47.1090 -47.1090 -21.5038 -21.5038 -14.0679 -14.0679 -13.6074 -13.6074 5.3875 5.3875 8.7779 8.7779 12.9826 12.9826 13.1080 13.1080 15.1013 15.1013 16.8936 16.8936 19.1032 19.1032 20.2778 20.2778 k = 0.1786 0.1031 0.5552 ( 1026 PWs) bands (ev): -47.1083 -47.1083 -21.5061 -21.5061 -14.0689 -14.0689 -13.6161 -13.6161 5.3727 5.3727 8.8404 8.8404 12.9333 12.9333 13.0587 13.0587 15.0418 15.0418 16.9693 16.9693 19.1239 19.1239 20.3806 20.3806 k = 0.1875 0.1083 0.5552 ( 1030 PWs) bands (ev): -47.1076 -47.1076 -21.5085 -21.5085 -14.0701 -14.0701 -13.6250 -13.6250 5.3575 5.3575 8.9042 8.9042 12.8837 12.8837 13.0081 13.0081 14.9854 14.9854 17.0487 17.0487 19.1482 19.1482 20.4855 20.4855 k = 0.1964 0.1134 0.5552 ( 1030 PWs) bands (ev): -47.1069 -47.1069 -21.5108 -21.5108 -14.0714 -14.0714 -13.6339 -13.6339 5.3421 5.3421 8.9691 8.9691 12.8340 12.8340 12.9563 12.9563 14.9326 14.9326 17.1316 17.1316 19.1760 19.1760 20.5921 20.5921 k = 0.2054 0.1186 0.5552 ( 1030 PWs) bands (ev): -47.1061 -47.1061 -21.5132 -21.5132 -14.0727 -14.0727 -13.6429 -13.6429 5.3265 5.3265 9.0348 9.0348 12.7843 12.7843 12.9036 12.9036 14.8837 14.8837 17.2181 17.2181 19.2074 19.2074 20.7001 20.7001 k = 0.2143 0.1237 0.5552 ( 1030 PWs) bands (ev): -47.1053 -47.1053 -21.5157 -21.5157 -14.0742 -14.0742 -13.6519 -13.6519 5.3107 5.3107 9.1009 9.1009 12.7349 12.7349 12.8501 12.8501 14.8392 14.8392 17.3079 17.3079 19.2423 19.2423 20.8092 20.8092 k = 0.2232 0.1289 0.5552 ( 1026 PWs) bands (ev): -47.1045 -47.1045 -21.5181 -21.5181 -14.0757 -14.0757 -13.6608 -13.6608 5.2948 5.2948 9.1671 9.1671 12.6858 12.6858 12.7960 12.7960 14.7994 14.7994 17.4009 17.4009 19.2805 19.2805 20.9190 20.9190 k = 0.2321 0.1340 0.5552 ( 1026 PWs) bands (ev): -47.1038 -47.1038 -21.5206 -21.5206 -14.0774 -14.0774 -13.6697 -13.6697 5.2789 5.2789 9.2331 9.2331 12.6373 12.6373 12.7416 12.7416 14.7646 14.7646 17.4970 17.4970 19.3220 19.3220 21.0291 21.0291 k = 0.2411 0.1392 0.5552 ( 1026 PWs) bands (ev): -47.1030 -47.1030 -21.5231 -21.5231 -14.0792 -14.0792 -13.6785 -13.6785 5.2629 5.2629 9.2986 9.2986 12.5893 12.5893 12.6871 12.6871 14.7351 14.7351 17.5961 17.5961 19.3664 19.3664 21.1390 21.1390 k = 0.2500 0.1443 0.5552 ( 1026 PWs) bands (ev): -47.1022 -47.1022 -21.5257 -21.5257 -14.0811 -14.0811 -13.6872 -13.6872 5.2471 5.2471 9.3631 9.3631 12.5420 12.5420 12.6327 12.6327 14.7113 14.7113 17.6979 17.6979 19.4138 19.4138 21.2483 21.2483 k = 0.2589 0.1495 0.5552 ( 1034 PWs) bands (ev): -47.1014 -47.1014 -21.5284 -21.5284 -14.0833 -14.0833 -13.6960 -13.6960 5.2313 5.2313 9.4264 9.4264 12.4955 12.4955 12.5786 12.5786 14.6932 14.6932 17.8024 17.8024 19.4638 19.4638 21.3564 21.3564 k = 0.2679 0.1546 0.5552 ( 1030 PWs) bands (ev): -47.1006 -47.1006 -21.5309 -21.5309 -14.0853 -14.0853 -13.7042 -13.7042 5.2156 5.2156 9.4881 9.4881 12.4498 12.4498 12.5250 12.5250 14.6812 14.6812 17.9094 17.9094 19.5163 19.5163 21.4626 21.4626 k = 0.2768 0.1598 0.5552 ( 1030 PWs) bands (ev): -47.0998 -47.0998 -21.5334 -21.5334 -14.0876 -14.0876 -13.7124 -13.7124 5.2001 5.2001 9.5479 9.5479 12.4049 12.4049 12.4723 12.4723 14.6755 14.6755 18.0186 18.0186 19.5710 19.5710 21.5659 21.5659 k = 0.2857 0.1650 0.5552 ( 1032 PWs) bands (ev): -47.0991 -47.0991 -21.5360 -21.5360 -14.0900 -14.0900 -13.7203 -13.7203 5.1849 5.1849 9.6056 9.6056 12.3609 12.3609 12.4208 12.4208 14.6760 14.6760 18.1299 18.1299 19.6276 19.6276 21.6650 21.6650 k = 0.2946 0.1701 0.5552 ( 1032 PWs) bands (ev): -47.0983 -47.0983 -21.5384 -21.5384 -14.0925 -14.0925 -13.7279 -13.7279 5.1700 5.1700 9.6609 9.6609 12.3175 12.3175 12.3706 12.3707 14.6829 14.6829 18.2430 18.2430 19.6860 19.6860 21.7581 21.7581 k = 0.3036 0.1753 0.5552 ( 1036 PWs) bands (ev): -47.0976 -47.0976 -21.5410 -21.5410 -14.0951 -14.0951 -13.7353 -13.7353 5.1553 5.1553 9.7135 9.7135 12.2746 12.2746 12.3224 12.3224 14.6962 14.6962 18.3577 18.3577 19.7457 19.7457 21.8423 21.8423 k = 0.3125 0.1804 0.5552 ( 1032 PWs) bands (ev): -47.0968 -47.0968 -21.5433 -21.5433 -14.0977 -14.0977 -13.7422 -13.7422 5.1410 5.1410 9.7632 9.7632 12.2321 12.2321 12.2766 12.2766 14.7158 14.7158 18.4737 18.4737 19.8066 19.8066 21.9146 21.9146 k = 0.3214 0.1856 0.5552 ( 1032 PWs) bands (ev): -47.0961 -47.0961 -21.5457 -21.5457 -14.1004 -14.1004 -13.7489 -13.7489 5.1272 5.1272 9.8100 9.8100 12.1896 12.1896 12.2334 12.2334 14.7414 14.7414 18.5907 18.5907 19.8683 19.8683 21.9720 21.9720 k = 0.3304 0.1907 0.5552 ( 1036 PWs) bands (ev): -47.0954 -47.0954 -21.5481 -21.5481 -14.1033 -14.1033 -13.7552 -13.7552 5.1137 5.1137 9.8536 9.8536 12.1472 12.1472 12.1932 12.1932 14.7730 14.7730 18.7083 18.7083 19.9305 19.9305 22.0135 22.0135 k = 0.3393 0.1959 0.5552 ( 1040 PWs) bands (ev): -47.0947 -47.0947 -21.5504 -21.5504 -14.1062 -14.1062 -13.7613 -13.7613 5.1007 5.1007 9.8940 9.8940 12.1052 12.1052 12.1558 12.1558 14.8101 14.8101 18.8262 18.8262 19.9928 19.9928 22.0404 22.0404 k = 0.3482 0.2010 0.5552 ( 1040 PWs) bands (ev): -47.0941 -47.0941 -21.5525 -21.5525 -14.1090 -14.1090 -13.7669 -13.7669 5.0883 5.0883 9.9313 9.9313 12.0641 12.0641 12.1210 12.1210 14.8523 14.8523 18.9439 18.9439 20.0550 20.0550 22.0549 22.0549 k = 0.3571 0.2062 0.5552 ( 1040 PWs) bands (ev): -47.0934 -47.0934 -21.5546 -21.5546 -14.1119 -14.1119 -13.7722 -13.7722 5.0763 5.0763 9.9653 9.9653 12.0242 12.0242 12.0884 12.0884 14.8991 14.8991 19.0610 19.0610 20.1165 20.1165 22.0591 22.0591 k = 0.3661 0.2114 0.5552 ( 1040 PWs) bands (ev): -47.0928 -47.0928 -21.5566 -21.5566 -14.1147 -14.1147 -13.7771 -13.7771 5.0650 5.0650 9.9963 9.9963 11.9858 11.9858 12.0580 12.0580 14.9500 14.9500 19.1768 19.1768 20.1772 20.1772 22.0546 22.0546 k = 0.3750 0.2165 0.5552 ( 1040 PWs) bands (ev): -47.0923 -47.0923 -21.5585 -21.5585 -14.1175 -14.1175 -13.7816 -13.7816 5.0542 5.0542 10.0242 10.0242 11.9493 11.9493 12.0296 12.0296 15.0042 15.0042 19.2909 19.2909 20.2365 20.2365 22.0426 22.0426 k = 0.3839 0.2217 0.5552 ( 1030 PWs) bands (ev): -47.0917 -47.0917 -21.5600 -21.5600 -14.1201 -14.1201 -13.7855 -13.7855 5.0441 5.0441 10.0492 10.0492 11.9147 11.9147 12.0032 12.0032 15.0610 15.0610 19.4026 19.4026 20.2941 20.2941 22.0242 22.0242 k = 0.3929 0.2268 0.5552 ( 1038 PWs) bands (ev): -47.0912 -47.0912 -21.5619 -21.5619 -14.1229 -14.1229 -13.7895 -13.7895 5.0345 5.0345 10.0715 10.0715 11.8823 11.8823 11.9788 11.9788 15.1195 15.1195 19.5111 19.5111 20.3496 20.3496 22.0002 22.0002 k = 0.4018 0.2320 0.5552 ( 1040 PWs) bands (ev): -47.0907 -47.0907 -21.5635 -21.5635 -14.1255 -14.1255 -13.7930 -13.7930 5.0257 5.0257 10.0911 10.0911 11.8520 11.8520 11.9563 11.9563 15.1789 15.1789 19.6156 19.6156 20.4025 20.4025 21.9718 21.9718 k = 0.4107 0.2371 0.5552 ( 1036 PWs) bands (ev): -47.0903 -47.0903 -21.5648 -21.5648 -14.1278 -14.1278 -13.7960 -13.7960 5.0176 5.0176 10.1084 10.1084 11.8242 11.8242 11.9357 11.9357 15.2381 15.2381 19.7154 19.7154 20.4525 20.4525 21.9400 21.9400 k = 0.4196 0.2423 0.5552 ( 1040 PWs) bands (ev): -47.0899 -47.0899 -21.5662 -21.5662 -14.1301 -14.1301 -13.7989 -13.7989 5.0102 5.0102 10.1233 10.1233 11.7988 11.7988 11.9170 11.9170 15.2962 15.2962 19.8095 19.8095 20.4992 20.4992 21.9059 21.9059 k = 0.4286 0.2474 0.5552 ( 1040 PWs) bands (ev): -47.0895 -47.0895 -21.5674 -21.5674 -14.1322 -14.1322 -13.8014 -13.8014 5.0035 5.0035 10.1362 10.1362 11.7758 11.7758 11.9003 11.9003 15.3520 15.3520 19.8970 19.8970 20.5422 20.5422 21.8709 21.8709 k = 0.4375 0.2526 0.5552 ( 1040 PWs) bands (ev): -47.0892 -47.0892 -21.5685 -21.5685 -14.1340 -14.1340 -13.8036 -13.8036 4.9975 4.9975 10.1471 10.1471 11.7555 11.7555 11.8855 11.8855 15.4045 15.4045 19.9768 19.9768 20.5811 20.5811 21.8362 21.8362 k = 0.4464 0.2577 0.5552 ( 1040 PWs) bands (ev): -47.0889 -47.0889 -21.5694 -21.5694 -14.1357 -14.1357 -13.8054 -13.8054 4.9924 4.9924 10.1562 10.1562 11.7377 11.7377 11.8727 11.8727 15.4527 15.4527 20.0481 20.0481 20.6156 20.6156 21.8032 21.8032 k = 0.4554 0.2629 0.5552 ( 1044 PWs) bands (ev): -47.0887 -47.0887 -21.5703 -21.5703 -14.1372 -14.1372 -13.8071 -13.8071 4.9880 4.9880 10.1637 10.1637 11.7226 11.7226 11.8618 11.8618 15.4956 15.4956 20.1099 20.1099 20.6454 20.6454 21.7730 21.7730 k = 0.4643 0.2681 0.5552 ( 1044 PWs) bands (ev): -47.0885 -47.0885 -21.5710 -21.5710 -14.1384 -14.1384 -13.8084 -13.8084 4.9844 4.9844 10.1696 10.1696 11.7102 11.7102 11.8529 11.8529 15.5321 15.5321 20.1615 20.1615 20.6703 20.6703 21.7467 21.7467 k = 0.4732 0.2732 0.5552 ( 1040 PWs) bands (ev): -47.0883 -47.0883 -21.5714 -21.5714 -14.1393 -14.1393 -13.8093 -13.8093 4.9815 4.9815 10.1741 10.1741 11.7006 11.7006 11.8460 11.8460 15.5615 15.5615 20.2023 20.2023 20.6900 20.6900 21.7254 21.7254 k = 0.4821 0.2784 0.5552 ( 1044 PWs) bands (ev): -47.0882 -47.0882 -21.5719 -21.5719 -14.1401 -14.1401 -13.8100 -13.8100 4.9795 4.9795 10.1773 10.1773 11.6936 11.6936 11.8410 11.8410 15.5830 15.5830 20.2317 20.2317 20.7042 20.7042 21.7096 21.7096 k = 0.4911 0.2835 0.5552 ( 1044 PWs) bands (ev): -47.0882 -47.0882 -21.5721 -21.5721 -14.1405 -14.1405 -13.8104 -13.8104 4.9783 4.9783 10.1792 10.1792 11.6895 11.6895 11.8381 11.8381 15.5961 15.5961 20.2495 20.2495 20.7128 20.7128 21.6999 21.6999 k = 0.5000 0.2887 0.5552 ( 1044 PWs) bands (ev): -47.0881 -47.0881 -21.5722 -21.5722 -14.1406 -14.1406 -13.8106 -13.8106 4.9779 4.9779 10.1798 10.1798 11.6881 11.6881 11.8371 11.8371 15.6005 15.6005 20.2554 20.2554 20.7157 20.7157 21.6967 21.6967 k = 0.5000 0.2887 0.5552 ( 1044 PWs) bands (ev): -47.0881 -47.0881 -21.5722 -21.5722 -14.1406 -14.1406 -13.8106 -13.8106 4.9779 4.9779 10.1798 10.1798 11.6881 11.6881 11.8371 11.8371 15.6005 15.6005 20.2554 20.2554 20.7157 20.7157 21.6967 21.6967 k = 0.4949 0.2974 0.5552 ( 1042 PWs) bands (ev): -47.0881 -47.0881 -21.5724 -21.5719 -14.1405 -14.1404 -13.8116 -13.8100 4.9778 4.9786 10.1734 10.1888 11.6198 11.6542 11.8708 11.9059 15.5992 15.5997 20.2506 20.2671 20.7054 20.7250 21.6909 21.6969 k = 0.4899 0.3062 0.5552 ( 1042 PWs) bands (ev): -47.0881 -47.0881 -21.5727 -21.5717 -14.1403 -14.1400 -13.8131 -13.8098 4.9782 4.9798 10.1696 10.2004 11.5258 11.5654 11.9596 12.0007 15.5958 15.5968 20.2528 20.2856 20.6942 20.7331 21.6797 21.6915 k = 0.4848 0.3149 0.5552 ( 1046 PWs) bands (ev): -47.0881 -47.0881 -21.5731 -21.5717 -14.1398 -14.1394 -13.8151 -13.8102 4.9792 4.9816 10.1683 10.2146 11.4276 11.4683 12.0569 12.0999 15.5905 15.5918 20.2617 20.3106 20.6823 20.7402 21.6632 21.6803 k = 0.4798 0.3237 0.5552 ( 1050 PWs) bands (ev): -47.0880 -47.0880 -21.5736 -21.5717 -14.1392 -14.1386 -13.8176 -13.8110 4.9807 4.9839 10.1696 10.2312 11.3287 11.3699 12.1558 12.2002 15.5835 15.5849 20.2771 20.3417 20.6703 20.7465 21.6418 21.6632 k = 0.4747 0.3324 0.5552 ( 1050 PWs) bands (ev): -47.0880 -47.0880 -21.5740 -21.5717 -14.1383 -14.1376 -13.8203 -13.8122 4.9828 4.9867 10.1732 10.2502 11.2303 11.2718 12.2547 12.3003 15.5749 15.5763 20.2984 20.3782 20.6586 20.7523 21.6157 21.6404 k = 0.4697 0.3412 0.5552 ( 1046 PWs) bands (ev): -47.0879 -47.0879 -21.5743 -21.5715 -14.1371 -14.1362 -13.8234 -13.8137 4.9854 4.9901 10.1791 10.2715 11.1328 11.1746 12.3527 12.3996 15.5652 15.5661 20.3246 20.4193 20.6484 20.7581 21.5853 21.6119 k = 0.4646 0.3499 0.5552 ( 1042 PWs) bands (ev): -47.0878 -47.0878 -21.5747 -21.5715 -14.1357 -14.1346 -13.8270 -13.8156 4.9884 4.9939 10.1870 10.2948 11.0367 11.0789 12.4494 12.4978 15.5545 15.5546 20.3542 20.4637 20.6411 20.7649 21.5511 21.5778 k = 0.4596 0.3587 0.5552 ( 1042 PWs) bands (ev): -47.0877 -47.0877 -21.5752 -21.5715 -14.1342 -14.1329 -13.8309 -13.8180 4.9919 4.9981 10.1969 10.3198 10.9424 10.9851 12.5444 12.5945 15.5422 15.5432 20.3844 20.5092 20.6395 20.7740 21.5138 21.5383 k = 0.4545 0.3674 0.5552 ( 1038 PWs) bands (ev): -47.0876 -47.0876 -21.5757 -21.5715 -14.1325 -14.1310 -13.8351 -13.8206 4.9958 5.0028 10.2085 10.3464 10.8501 10.8935 12.6374 12.6894 15.5292 15.5316 20.4112 20.5529 20.6473 20.7874 21.4746 21.4938 k = 0.4495 0.3762 0.5552 ( 1038 PWs) bands (ev): -47.0875 -47.0875 -21.5762 -21.5717 -14.1307 -14.1289 -13.8397 -13.8236 5.0000 5.0078 10.2214 10.3737 10.7603 10.8050 12.7281 12.7822 15.5159 15.5201 20.4300 20.5910 20.6692 20.8073 21.4350 21.4444 k = 0.4444 0.3849 0.5552 ( 1038 PWs) bands (ev): -47.0873 -47.0873 -21.5768 -21.5719 -14.1287 -14.1267 -13.8446 -13.8270 5.0046 5.0132 10.2351 10.4008 10.6735 10.7205 12.8161 12.8726 15.5027 15.5090 20.4385 20.6203 20.7069 20.8342 21.3908 21.3981 k = 0.4394 0.3936 0.5552 ( 1038 PWs) bands (ev): -47.0872 -47.0872 -21.5774 -21.5721 -14.1265 -14.1242 -13.8498 -13.8306 5.0095 5.0188 10.2487 10.4245 10.5906 10.6430 12.9013 12.9603 15.4901 15.4987 20.4381 20.6400 20.7588 20.8644 21.3335 21.3685 k = 0.4343 0.4024 0.5552 ( 1038 PWs) bands (ev): -47.0870 -47.0870 -21.5780 -21.5723 -14.1243 -14.1216 -13.8553 -13.8346 5.0146 5.0247 10.2607 10.4352 10.5132 10.5823 12.9833 13.0452 15.4783 15.4895 20.4317 20.6516 20.8215 20.8892 21.2733 21.3535 k = 0.4293 0.4111 0.5552 ( 1038 PWs) bands (ev): -47.0869 -47.0869 -21.5787 -21.5726 -14.1219 -14.1189 -13.8609 -13.8387 5.0199 5.0308 10.2665 10.4101 10.4456 10.5610 13.0618 13.1269 15.4678 15.4817 20.4214 20.6574 20.8919 20.8985 21.2113 21.3612 k = 0.4242 0.4199 0.5552 ( 1034 PWs) bands (ev): -47.0867 -47.0867 -21.5792 -21.5728 -14.1193 -14.1159 -13.8668 -13.8430 5.0254 5.0370 10.2551 10.3529 10.3990 10.5752 13.1367 13.2052 15.4588 15.4755 20.4086 20.6581 20.8878 20.9666 21.1497 21.3956 k = 0.4192 0.4286 0.5552 ( 1030 PWs) bands (ev): -47.0866 -47.0866 -21.5798 -21.5730 -14.1167 -14.1128 -13.8727 -13.8474 5.0309 5.0432 10.2158 10.2864 10.3837 10.6020 13.2078 13.2799 15.4517 15.4712 20.3935 20.6532 20.8614 21.0304 21.1038 21.4531 k = 0.4141 0.4374 0.5552 ( 1030 PWs) bands (ev): -47.0864 -47.0864 -21.5804 -21.5733 -14.1140 -14.1097 -13.8788 -13.8521 5.0365 5.0495 10.1595 10.2193 10.3892 10.6327 13.2749 13.3508 15.4466 15.4690 20.3760 20.6394 20.8293 21.0046 21.1525 21.5273 k = 0.4091 0.4461 0.5552 ( 1030 PWs) bands (ev): -47.0862 -47.0862 -21.5811 -21.5736 -14.1113 -14.1064 -13.8851 -13.8568 5.0420 5.0556 10.0986 10.1540 10.4026 10.6645 13.3378 13.4176 15.4439 15.4691 20.3557 20.6120 20.8018 20.9476 21.2382 21.6125 k = 0.4040 0.4549 0.5552 ( 1026 PWs) bands (ev): -47.0861 -47.0861 -21.5816 -21.5739 -14.1085 -14.1030 -13.8912 -13.8615 5.0474 5.0617 10.0381 10.0915 10.4191 10.6964 13.3964 13.4803 15.4436 15.4715 20.3316 20.5687 20.7854 20.8916 21.3296 21.7050 k = 0.3990 0.4636 0.5552 ( 1026 PWs) bands (ev): -47.0859 -47.0859 -21.5822 -21.5742 -14.1058 -14.0997 -13.8975 -13.8662 5.0527 5.0676 9.9799 10.0325 10.4364 10.7276 13.4507 13.5387 15.4458 15.4763 20.3029 20.5127 20.7792 20.8409 21.4236 21.8023 k = 0.3939 0.4724 0.5552 ( 1026 PWs) bands (ev): -47.0857 -47.0857 -21.5828 -21.5746 -14.1031 -14.0962 -13.9037 -13.8710 5.0578 5.0733 9.9249 9.9771 10.4539 10.7577 13.5005 13.5926 15.4504 15.4834 20.2687 20.4492 20.7799 20.7973 21.5190 21.9027 k = 0.3889 0.4811 0.5552 ( 1028 PWs) bands (ev): -47.0856 -47.0856 -21.5835 -21.5750 -14.1004 -14.0928 -13.9099 -13.8757 5.0626 5.0787 9.8735 9.9255 10.4709 10.7863 13.5459 13.6420 15.4575 15.4928 20.2289 20.3821 20.7618 20.7849 21.6150 22.0048 k = 0.3838 0.4899 0.5552 ( 1032 PWs) bands (ev): -47.0854 -47.0854 -21.5841 -21.5754 -14.0979 -14.0895 -13.9159 -13.8802 5.0671 5.0838 9.8260 9.8781 10.4871 10.8131 13.5868 13.6867 15.4667 15.5041 20.1841 20.3141 20.7346 20.7927 21.7106 22.1073 k = 0.3788 0.4986 0.5552 ( 1032 PWs) bands (ev): -47.0853 -47.0853 -21.5846 -21.5758 -14.0954 -14.0862 -13.9216 -13.8845 5.0713 5.0885 9.7826 9.8348 10.5022 10.8379 13.6233 13.7268 15.4779 15.5172 20.1357 20.2470 20.7150 20.8022 21.8049 22.2090 k = 0.3737 0.5074 0.5552 ( 1028 PWs) bands (ev): -47.0852 -47.0852 -21.5850 -21.5760 -14.0930 -14.0829 -13.9270 -13.8885 5.0751 5.0927 9.7435 9.7958 10.5160 10.8605 13.6555 13.7623 15.4906 15.5317 20.0855 20.1823 20.7019 20.8128 21.8967 22.3087 k = 0.3687 0.5161 0.5552 ( 1028 PWs) bands (ev): -47.0850 -47.0850 -21.5855 -21.5763 -14.0909 -14.0798 -13.9321 -13.8922 5.0785 5.0965 9.7088 9.7613 10.5285 10.8806 13.6835 13.7931 15.5043 15.5470 20.0354 20.1213 20.6940 20.8238 21.9849 22.4049 k = 0.3636 0.5249 0.5552 ( 1028 PWs) bands (ev): -47.0849 -47.0849 -21.5859 -21.5765 -14.0889 -14.0770 -13.9367 -13.8955 5.0815 5.0998 9.6785 9.7312 10.5394 10.8981 13.7072 13.8193 15.5186 15.5627 19.9873 20.0652 20.6899 20.8348 22.0679 22.4959 k = 0.3586 0.5336 0.5552 ( 1028 PWs) bands (ev): -47.0848 -47.0848 -21.5863 -21.5768 -14.0872 -14.0745 -13.9408 -13.8984 5.0840 5.1026 9.6528 9.7057 10.5488 10.9130 13.7269 13.8411 15.5327 15.5779 19.9431 20.0151 20.6885 20.8454 22.1440 22.5799 k = 0.3535 0.5424 0.5552 ( 1028 PWs) bands (ev): -47.0847 -47.0847 -21.5865 -21.5770 -14.0858 -14.0723 -13.9443 -13.9009 5.0860 5.1049 9.6317 9.6848 10.5564 10.9252 13.7426 13.8585 15.5459 15.5921 19.9043 19.9720 20.6889 20.8550 22.2111 22.6545 k = 0.3485 0.5511 0.5552 ( 1028 PWs) bands (ev): -47.0847 -47.0847 -21.5868 -21.5772 -14.0847 -14.0705 -13.9471 -13.9029 5.0875 5.1066 9.6153 9.6685 10.5624 10.9346 13.7546 13.8717 15.5576 15.6045 19.8722 19.9370 20.6903 20.8632 22.2671 22.7172 k = 0.3434 0.5599 0.5552 ( 1028 PWs) bands (ev): -47.0846 -47.0846 -21.5870 -21.5773 -14.0839 -14.0692 -13.9492 -13.9043 5.0886 5.1079 9.6036 9.6569 10.5666 10.9413 13.7629 13.8809 15.5668 15.6143 19.8482 19.9110 20.6919 20.8695 22.3095 22.7650 k = 0.3384 0.5686 0.5552 ( 1032 PWs) bands (ev): -47.0846 -47.0846 -21.5872 -21.5775 -14.0834 -14.0685 -13.9506 -13.9053 5.0892 5.1086 9.5966 9.6500 10.5691 10.9452 13.7678 13.8862 15.5728 15.6207 19.8331 19.8949 20.6931 20.8736 22.3363 22.7953 k = 0.3333 0.5774 0.5552 ( 1032 PWs) bands (ev): -47.0846 -47.0846 -21.5872 -21.5775 -14.0833 -14.0682 -13.9510 -13.9056 5.0894 5.1088 9.5942 9.6477 10.5700 10.9466 13.7693 13.8880 15.5750 15.6229 19.8280 19.8894 20.6936 20.8750 22.3455 22.8058 k = 0.3333 0.5774 0.5552 ( 1032 PWs) bands (ev): -47.0846 -47.0846 -21.5872 -21.5775 -14.0833 -14.0682 -13.9510 -13.9056 5.0894 5.1088 9.5942 9.6477 10.5700 10.9466 13.7693 13.8880 15.5750 15.6229 19.8280 19.8894 20.6936 20.8750 22.3455 22.8058 k = 0.3282 0.5685 0.5552 ( 1032 PWs) bands (ev): -47.0846 -47.0846 -21.5872 -21.5775 -14.0834 -14.0685 -13.9505 -13.9053 5.0892 5.1086 9.5966 9.6500 10.5691 10.9452 13.7678 13.8862 15.5726 15.6204 19.8335 19.8952 20.6930 20.8734 22.3357 22.7947 k = 0.3231 0.5596 0.5552 ( 1032 PWs) bands (ev): -47.0846 -47.0846 -21.5870 -21.5774 -14.0839 -14.0692 -13.9493 -13.9044 5.0887 5.1079 9.6038 9.6571 10.5666 10.9413 13.7632 13.8813 15.5649 15.6125 19.8500 19.9130 20.6911 20.8685 22.3066 22.7614 k = 0.3179 0.5507 0.5552 ( 1028 PWs) bands (ev): -47.0847 -47.0847 -21.5867 -21.5771 -14.0845 -14.0703 -13.9472 -13.9028 5.0878 5.1069 9.6157 9.6689 10.5624 10.9349 13.7559 13.8733 15.5518 15.5988 19.8774 19.9429 20.6880 20.8599 22.2587 22.7070 k = 0.3128 0.5418 0.5552 ( 1024 PWs) bands (ev): -47.0848 -47.0848 -21.5863 -21.5768 -14.0854 -14.0718 -13.9443 -13.9008 5.0867 5.1056 9.6322 9.6852 10.5566 10.9260 13.7461 13.8626 15.5329 15.5792 19.9154 19.9848 20.6838 20.8477 22.1936 22.6332 k = 0.3077 0.5329 0.5552 ( 1026 PWs) bands (ev): -47.0849 -47.0849 -21.5860 -21.5765 -14.0866 -14.0735 -13.9410 -13.8983 5.0853 5.1040 9.6533 9.7061 10.5493 10.9148 13.7340 13.8494 15.5082 15.5537 19.9626 20.0383 20.6794 20.8316 22.1130 22.5425 k = 0.3026 0.5241 0.5552 ( 1026 PWs) bands (ev): -47.0850 -47.0850 -21.5855 -21.5762 -14.0879 -14.0755 -13.9370 -13.8953 5.0839 5.1022 9.6789 9.7314 10.5405 10.9014 13.7197 13.8340 15.4780 15.5225 20.0172 20.1030 20.6759 20.8118 22.0192 22.4373 k = 0.2974 0.5152 0.5552 ( 1028 PWs) bands (ev): -47.0852 -47.0852 -21.5850 -21.5758 -14.0892 -14.0775 -13.9326 -13.8919 5.0823 5.1004 9.7088 9.7610 10.5301 10.8858 13.7036 13.8165 15.4425 15.4858 20.0762 20.1778 20.6757 20.7885 21.9138 22.3199 k = 0.2923 0.5063 0.5552 ( 1028 PWs) bands (ev): -47.0854 -47.0854 -21.5843 -21.5752 -14.0906 -14.0795 -13.9278 -13.8882 5.0808 5.0985 9.7430 9.7949 10.5183 10.8680 13.6859 13.7973 15.4022 15.4442 20.1348 20.2615 20.6824 20.7620 21.7989 22.1924 k = 0.2872 0.4974 0.5552 ( 1028 PWs) bands (ev): -47.0856 -47.0856 -21.5835 -21.5746 -14.0919 -14.0815 -13.9226 -13.8840 5.0794 5.0966 9.7814 9.8328 10.5050 10.8482 13.6668 13.7766 15.3577 15.3983 20.1868 20.3520 20.7013 20.7335 21.6760 22.0564 k = 0.2821 0.4885 0.5552 ( 1028 PWs) bands (ev): -47.0859 -47.0859 -21.5827 -21.5739 -14.0933 -14.0834 -13.9170 -13.8795 5.0781 5.0949 9.8237 9.8747 10.4903 10.8263 13.6465 13.7545 15.3096 15.3486 20.2249 20.4452 20.7059 20.7381 21.5467 21.9137 k = 0.2769 0.4796 0.5552 ( 1032 PWs) bands (ev): -47.0862 -47.0862 -21.5818 -21.5732 -14.0946 -14.0852 -13.9112 -13.8748 5.0771 5.0934 9.8699 9.9204 10.4740 10.8024 13.6252 13.7313 15.2586 15.2959 20.2446 20.5272 20.6921 20.7956 21.4126 21.7653 k = 0.2718 0.4708 0.5552 ( 1032 PWs) bands (ev): -47.0865 -47.0865 -21.5807 -21.5723 -14.0958 -14.0869 -13.9051 -13.8697 5.0763 5.0921 9.9199 9.9698 10.4564 10.7765 13.6032 13.7072 15.2053 15.2408 20.2460 20.5561 20.7326 20.8707 21.2764 21.6125 k = 0.2667 0.4619 0.5552 ( 1028 PWs) bands (ev): -47.0868 -47.0868 -21.5794 -21.5712 -14.0967 -14.0882 -13.8987 -13.8644 5.0760 5.0912 9.9733 10.0227 10.4372 10.7487 13.5807 13.6824 15.1506 15.1840 20.2328 20.5322 20.8259 20.9488 21.1485 21.4562 k = 0.2615 0.4530 0.5552 ( 1024 PWs) bands (ev): -47.0872 -47.0872 -21.5780 -21.5700 -14.0975 -14.0894 -13.8921 -13.8588 5.0760 5.0907 10.0300 10.0788 10.4167 10.7189 13.5578 13.6570 15.0950 15.1263 20.2087 20.4912 20.9346 20.9370 21.1170 21.2974 k = 0.2564 0.4441 0.5552 ( 1024 PWs) bands (ev): -47.0876 -47.0876 -21.5766 -21.5688 -14.0983 -14.0904 -13.8854 -13.8530 5.0765 5.0906 10.0897 10.1381 10.3948 10.6872 13.5347 13.6313 15.0393 15.0684 20.1768 20.4435 20.8085 21.0470 21.1371 21.2051 k = 0.2513 0.4352 0.5552 ( 1028 PWs) bands (ev): -47.0880 -47.0880 -21.5752 -21.5676 -14.0989 -14.0914 -13.8785 -13.8471 5.0776 5.0911 10.1517 10.2001 10.3722 10.6538 13.5117 13.6055 14.9841 15.0107 20.1392 20.3916 20.6622 20.9755 21.1593 21.3107 k = 0.2462 0.4264 0.5552 ( 1032 PWs) bands (ev): -47.0885 -47.0885 -21.5737 -21.5664 -14.0994 -14.0921 -13.8714 -13.8410 5.0793 5.0922 10.2137 10.2643 10.3507 10.6191 13.4888 13.5796 14.9299 14.9541 20.0970 20.3360 20.5120 20.8146 21.2683 21.4177 k = 0.2410 0.4175 0.5552 ( 1032 PWs) bands (ev): -47.0890 -47.0890 -21.5720 -21.5649 -14.0997 -14.0926 -13.8641 -13.8347 5.0816 5.0939 10.2631 10.3293 10.3427 10.5842 13.4663 13.5538 14.8774 14.8991 20.0511 20.2763 20.3607 20.6555 21.3725 21.5215 k = 0.2359 0.4086 0.5552 ( 1036 PWs) bands (ev): -47.0895 -47.0895 -21.5703 -21.5635 -14.0998 -14.0929 -13.8566 -13.8282 5.0845 5.0962 10.2644 10.3837 10.3905 10.5535 13.4443 13.5284 14.8270 14.8461 20.0011 20.2102 20.2107 20.5011 21.4701 21.6195 k = 0.2308 0.3997 0.5552 ( 1036 PWs) bands (ev): -47.0900 -47.0900 -21.5684 -21.5619 -14.0997 -14.0930 -13.8490 -13.8215 5.0882 5.0993 10.2388 10.4280 10.4520 10.5467 13.4229 13.5033 14.7794 14.7958 19.9437 20.0654 20.1340 20.3573 21.5599 21.7099 k = 0.2256 0.3908 0.5552 ( 1036 PWs) bands (ev): -47.0906 -47.0906 -21.5664 -21.5602 -14.0994 -14.0928 -13.8411 -13.8146 5.0926 5.1030 10.2065 10.4145 10.5275 10.5910 13.4023 13.4789 14.7348 14.7485 19.8581 19.9478 20.0360 20.2350 21.6406 21.7912 k = 0.2205 0.3819 0.5552 ( 1040 PWs) bands (ev): -47.0912 -47.0912 -21.5644 -21.5585 -14.0990 -14.0926 -13.8332 -13.8077 5.0977 5.1075 10.1705 10.3756 10.6066 10.6606 13.3825 13.4551 14.6938 14.7047 19.7263 19.8762 19.9111 20.1404 21.7112 21.8623 k = 0.2154 0.3731 0.5552 ( 1032 PWs) bands (ev): -47.0918 -47.0918 -21.5621 -21.5564 -14.0982 -14.0920 -13.8248 -13.8003 5.1035 5.1128 10.1317 10.3284 10.6885 10.7382 13.3638 13.4321 14.6566 14.6648 19.5804 19.7686 19.8193 20.0649 21.7712 21.9228 k = 0.2103 0.3642 0.5552 ( 1028 PWs) bands (ev): -47.0925 -47.0925 -21.5598 -21.5543 -14.0974 -14.0913 -13.8165 -13.7929 5.1102 5.1189 10.0902 10.2769 10.7726 10.8198 13.3461 13.4101 14.6236 14.6292 19.4326 19.6188 19.7656 19.9987 21.8199 21.9724 k = 0.2051 0.3553 0.5552 ( 1026 PWs) bands (ev): -47.0931 -47.0931 -21.5574 -21.5523 -14.0963 -14.0904 -13.8080 -13.7855 5.1176 5.1257 10.0461 10.2222 10.8589 10.9041 13.3295 13.3892 14.5951 14.5980 19.2854 19.4668 19.7131 19.9372 21.8570 22.0111 k = 0.2000 0.3464 0.5552 ( 1026 PWs) bands (ev): -47.0938 -47.0938 -21.5551 -21.5502 -14.0953 -14.0896 -13.7993 -13.7778 5.1257 5.1333 9.9996 10.1647 10.9470 10.9905 13.3142 13.3694 14.5713 14.5716 19.1396 19.3151 19.6614 19.8783 21.8820 22.0391 k = 0.1949 0.3375 0.5552 ( 1026 PWs) bands (ev): -47.0945 -47.0945 -21.5527 -21.5480 -14.0941 -14.0886 -13.7905 -13.7700 5.1345 5.1416 9.9506 10.1048 11.0367 11.0787 13.3001 13.3509 14.5502 14.5525 18.9958 19.1646 19.6106 19.8216 21.8945 22.0569 k = 0.1897 0.3286 0.5552 ( 1030 PWs) bands (ev): -47.0952 -47.0952 -21.5503 -21.5459 -14.0930 -14.0876 -13.7816 -13.7621 5.1441 5.1506 9.8992 10.0426 11.1279 11.1685 13.2874 13.3337 14.5338 14.5386 18.8542 19.0161 19.5608 19.7665 21.8934 22.0644 k = 0.1846 0.3198 0.5552 ( 1030 PWs) bands (ev): -47.0960 -47.0960 -21.5478 -21.5437 -14.0916 -14.0865 -13.7725 -13.7540 5.1543 5.1603 9.8456 9.9783 11.2203 11.2595 13.2760 13.3180 14.5227 14.5299 18.7152 18.8701 19.5121 19.7132 21.8774 22.0618 k = 0.1795 0.3109 0.5552 ( 1030 PWs) bands (ev): -47.0967 -47.0967 -21.5452 -21.5414 -14.0902 -14.0853 -13.7633 -13.7458 5.1653 5.1707 9.7898 9.9121 11.3139 11.3517 13.2661 13.3038 14.5168 14.5264 18.5789 18.7269 19.4646 19.6615 21.8447 22.0479 k = 0.1744 0.3020 0.5552 ( 1030 PWs) bands (ev): -47.0975 -47.0975 -21.5426 -21.5390 -14.0888 -14.0840 -13.7539 -13.7374 5.1768 5.1818 9.7319 9.8443 11.4084 11.4447 13.2576 13.2912 14.5163 14.5282 18.4455 18.5867 19.4186 19.6116 21.7938 22.0194 k = 0.1692 0.2931 0.5552 ( 1030 PWs) bands (ev): -47.0983 -47.0983 -21.5400 -21.5366 -14.0873 -14.0828 -13.7444 -13.7290 5.1889 5.1935 9.6722 9.7750 11.5036 11.5384 13.2507 13.2803 14.5212 14.5351 18.3152 18.4497 19.3742 19.5636 21.7251 21.9676 k = 0.1641 0.2842 0.5552 ( 1030 PWs) bands (ev): -47.0991 -47.0991 -21.5373 -21.5342 -14.0857 -14.0815 -13.7348 -13.7203 5.2015 5.2057 9.6108 9.7045 11.5994 11.6327 13.2452 13.2711 14.5312 14.5473 18.1881 18.3161 19.3315 19.5174 21.6413 21.8850 k = 0.1590 0.2754 0.5552 ( 1030 PWs) bands (ev): -47.0999 -47.0999 -21.5347 -21.5318 -14.0842 -14.0802 -13.7251 -13.7116 5.2147 5.2184 9.5480 9.6329 11.6955 11.7271 13.2414 13.2636 14.5465 14.5645 18.0643 18.1860 19.2907 19.4733 21.5460 21.7802 k = 0.1538 0.2665 0.5552 ( 1034 PWs) bands (ev): -47.1007 -47.1007 -21.5321 -21.5295 -14.0827 -14.0790 -13.7154 -13.7029 5.2282 5.2316 9.4838 9.5606 11.7917 11.8217 13.2391 13.2580 14.5669 14.5867 17.9441 18.0596 19.2520 19.4313 21.4430 21.6653 k = 0.1487 0.2576 0.5552 ( 1038 PWs) bands (ev): -47.1015 -47.1015 -21.5295 -21.5271 -14.0813 -14.0777 -13.7057 -13.6941 5.2422 5.2451 9.4187 9.4877 11.8878 11.9161 13.2385 13.2542 14.5923 14.6138 17.8274 17.9369 19.2154 19.3915 21.3350 21.5463 k = 0.1436 0.2487 0.5552 ( 1038 PWs) bands (ev): -47.1023 -47.1023 -21.5268 -21.5246 -14.0797 -14.0765 -13.6958 -13.6851 5.2565 5.2591 9.3527 9.4145 11.9837 12.0100 13.2395 13.2522 14.6225 14.6456 17.7143 17.8182 19.1811 19.3540 21.2238 21.4255 k = 0.1385 0.2398 0.5552 ( 1034 PWs) bands (ev): -47.1031 -47.1031 -21.5241 -21.5221 -14.0782 -14.0752 -13.6858 -13.6761 5.2710 5.2734 9.2863 9.3413 12.0790 12.1034 13.2421 13.2520 14.6574 14.6818 17.6051 17.7033 19.1492 19.3190 21.1108 21.3040 k = 0.1333 0.2309 0.5552 ( 1034 PWs) bands (ev): -47.1039 -47.1039 -21.5214 -21.5196 -14.0768 -14.0740 -13.6759 -13.6670 5.2858 5.2878 9.2195 9.2684 12.1736 12.1959 13.2464 13.2537 14.6967 14.7224 17.4996 17.5925 19.1199 19.2864 20.9969 21.1826 k = 0.1282 0.2221 0.5552 ( 1034 PWs) bands (ev): -47.1046 -47.1046 -21.5188 -21.5172 -14.0754 -14.0728 -13.6661 -13.6580 5.3007 5.3025 9.1527 9.1959 12.2671 12.2873 13.2524 13.2571 14.7403 14.7671 17.3980 17.4858 19.0932 19.2563 20.8829 21.0617 k = 0.1231 0.2132 0.5552 ( 1034 PWs) bands (ev): -47.1054 -47.1054 -21.5163 -21.5148 -14.0740 -14.0717 -13.6563 -13.6490 5.3157 5.3172 9.0862 9.1241 12.3594 12.3774 13.2600 13.2624 14.7879 14.8155 17.3005 17.3832 19.0692 19.2288 20.7693 20.9418 k = 0.1179 0.2043 0.5552 ( 1030 PWs) bands (ev): -47.1062 -47.1062 -21.5136 -21.5123 -14.0727 -14.0706 -13.6465 -13.6400 5.3307 5.3320 9.0201 9.0532 12.4502 12.4659 13.2692 13.2693 14.8392 14.8676 17.2069 17.2848 19.0479 19.2040 20.6567 20.8231 k = 0.1128 0.1954 0.5552 ( 1026 PWs) bands (ev): -47.1069 -47.1069 -21.5111 -21.5099 -14.0714 -14.0695 -13.6368 -13.6310 5.3457 5.3468 8.9548 8.9836 12.5393 12.5524 13.2780 13.2800 14.8940 14.9230 17.1174 17.1906 19.0295 19.1819 20.5455 20.7061 k = 0.1077 0.1865 0.5552 ( 1032 PWs) bands (ev): -47.1077 -47.1077 -21.5088 -21.5078 -14.0703 -14.0687 -13.6275 -13.6224 5.3606 5.3615 8.8905 8.9153 12.6262 12.6369 13.2882 13.2923 14.9520 14.9813 17.0321 17.1008 19.0140 19.1624 20.4361 20.5910 k = 0.1026 0.1776 0.5552 ( 1028 PWs) bands (ev): -47.1084 -47.1084 -21.5063 -21.5054 -14.0691 -14.0677 -13.6181 -13.6136 5.3753 5.3760 8.8275 8.8487 12.7109 12.7189 13.3000 13.3060 15.0128 15.0423 16.9509 17.0152 19.0014 19.1456 20.3288 20.4781 k = 0.0974 0.1688 0.5552 ( 1028 PWs) bands (ev): -47.1091 -47.1091 -21.5041 -21.5033 -14.0681 -14.0669 -13.6090 -13.6051 5.3897 5.3904 8.7659 8.7840 12.7929 12.7983 13.3132 13.3211 15.0762 15.1056 16.8740 16.9341 18.9917 19.1314 20.2242 20.3678 k = 0.0923 0.1599 0.5552 ( 1032 PWs) bands (ev): -47.1097 -47.1097 -21.5020 -21.5013 -14.0673 -14.0662 -13.6002 -13.5969 5.4039 5.4044 8.7060 8.7213 12.8721 12.8748 13.3277 13.3374 15.1416 15.1709 16.8014 16.8574 18.9848 19.1198 20.1225 20.2604 k = 0.0872 0.1510 0.5552 ( 1036 PWs) bands (ev): -47.1104 -47.1104 -21.4999 -21.4994 -14.0664 -14.0655 -13.5918 -13.5889 5.4176 5.4180 8.6481 8.6608 12.9480 12.9481 13.3435 13.3548 15.2087 15.2375 16.7333 16.7852 18.9807 19.1106 20.0242 20.1562 k = 0.0821 0.1421 0.5552 ( 1032 PWs) bands (ev): -47.1110 -47.1110 -21.4978 -21.4973 -14.0656 -14.0648 -13.5834 -13.5810 5.4310 5.4313 8.5923 8.6028 13.0179 13.0206 13.3603 13.3733 15.2770 15.3052 16.6696 16.7176 18.9794 19.1038 19.9296 20.0555 k = 0.0769 0.1332 0.5552 ( 1032 PWs) bands (ev): -47.1116 -47.1116 -21.4959 -21.4955 -14.0647 -14.0641 -13.5755 -13.5735 5.4439 5.4441 8.5388 8.5474 13.0841 13.0894 13.3782 13.3926 15.3460 15.3733 16.6106 16.6547 18.9805 19.0992 19.8391 19.9586 k = 0.0718 0.1244 0.5552 ( 1032 PWs) bands (ev): -47.1122 -47.1122 -21.4940 -21.4937 -14.0641 -14.0635 -13.5679 -13.5663 5.4562 5.4564 8.4879 8.4948 13.1465 13.1541 13.3969 13.4126 15.4150 15.4412 16.5563 16.5966 18.9840 19.0965 19.7531 19.8660 k = 0.0667 0.1155 0.5552 ( 1032 PWs) bands (ev): -47.1127 -47.1127 -21.4923 -21.4920 -14.0634 -14.0630 -13.5607 -13.5594 5.4679 5.4681 8.4396 8.4451 13.2047 13.2145 13.4164 13.4332 15.4833 15.5082 16.5069 16.5435 18.9897 19.0954 19.6721 19.7779 k = 0.0615 0.1066 0.5552 ( 1032 PWs) bands (ev): -47.1132 -47.1132 -21.4907 -21.4905 -14.0629 -14.0625 -13.5539 -13.5529 5.4790 5.4791 8.3942 8.3985 13.2587 13.2703 13.4365 13.4540 15.5502 15.5735 16.4627 16.4955 18.9971 19.0955 19.5964 19.6947 k = 0.0564 0.0977 0.5552 ( 1032 PWs) bands (ev): -47.1137 -47.1137 -21.4892 -21.4890 -14.0624 -14.0621 -13.5476 -13.5468 5.4895 5.4895 8.3519 8.3552 13.3082 13.3211 13.4572 13.4750 15.6148 15.6362 16.4240 16.4530 19.0060 19.0965 19.5265 19.6168 k = 0.0513 0.0888 0.5552 ( 1036 PWs) bands (ev): -47.1142 -47.1142 -21.4879 -21.4878 -14.0620 -14.0618 -13.5418 -13.5412 5.4991 5.4991 8.3127 8.3152 13.3530 13.3666 13.4784 13.4958 15.6759 15.6951 16.3911 16.4162 19.0158 19.0977 19.4631 19.5446 k = 0.0462 0.0799 0.5552 ( 1036 PWs) bands (ev): -47.1145 -47.1145 -21.4866 -21.4865 -14.0616 -14.0614 -13.5364 -13.5359 5.5080 5.5080 8.2768 8.2786 13.3932 13.4065 13.5001 13.5163 15.7325 15.7491 16.3645 16.3856 19.0261 19.0985 19.4067 19.4787 k = 0.0410 0.0711 0.5552 ( 1036 PWs) bands (ev): -47.1149 -47.1149 -21.4855 -21.4854 -14.0612 -14.0611 -13.5315 -13.5312 5.5160 5.5161 8.2444 8.2456 13.4287 13.4405 13.5222 13.5362 15.7833 15.7971 16.3446 16.3615 19.0362 19.0981 19.3579 19.4194 k = 0.0359 0.0622 0.5552 ( 1032 PWs) bands (ev): -47.1152 -47.1152 -21.4844 -21.4843 -14.0608 -14.0607 -13.5271 -13.5269 5.5232 5.5233 8.2155 8.2163 13.4593 13.4690 13.5440 13.5551 15.8271 15.8378 16.3315 16.3444 19.0453 19.0955 19.3176 19.3675 k = 0.0308 0.0533 0.5552 ( 1032 PWs) bands (ev): -47.1155 -47.1155 -21.4835 -21.4835 -14.0606 -14.0605 -13.5233 -13.5232 5.5296 5.5296 8.1902 8.1908 13.4853 13.4923 13.5648 13.5728 15.8631 15.8707 16.3251 16.3342 19.0527 19.0904 19.2861 19.3235 k = 0.0256 0.0444 0.5552 ( 1032 PWs) bands (ev): -47.1157 -47.1157 -21.4827 -21.4827 -14.0603 -14.0603 -13.5201 -13.5200 5.5349 5.5349 8.1687 8.1690 13.5068 13.5112 13.5837 13.5887 15.8908 15.8956 16.3245 16.3302 19.0575 19.0826 19.2632 19.2881 k = 0.0205 0.0355 0.5552 ( 1028 PWs) bands (ev): -47.1159 -47.1159 -21.4820 -21.4820 -14.0601 -14.0601 -13.5174 -13.5173 5.5394 5.5394 8.1510 8.1512 13.5239 13.5263 13.5998 13.6025 15.9107 15.9134 16.3282 16.3313 19.0591 19.0734 19.2476 19.2618 k = 0.0154 0.0266 0.5552 ( 1028 PWs) bands (ev): -47.1161 -47.1161 -21.4815 -21.4815 -14.0599 -14.0599 -13.5153 -13.5153 5.5429 5.5429 8.1371 8.1372 13.5369 13.5380 13.6125 13.6137 15.9240 15.9252 16.3340 16.3353 19.0578 19.0642 19.2376 19.2440 k = 0.0103 0.0178 0.5552 ( 1028 PWs) bands (ev): -47.1162 -47.1162 -21.4812 -21.4812 -14.0598 -14.0598 -13.5138 -13.5138 5.5454 5.5454 8.1272 8.1272 13.5460 13.5463 13.6217 13.6221 15.9321 15.9324 16.3398 16.3402 19.0548 19.0568 19.2315 19.2334 k = 0.0051 0.0089 0.5552 ( 1028 PWs) bands (ev): -47.1162 -47.1162 -21.4810 -21.4810 -14.0598 -14.0598 -13.5129 -13.5129 5.5469 5.5469 8.1212 8.1212 13.5513 13.5514 13.6272 13.6273 15.9363 15.9363 16.3440 16.3441 19.0519 19.0521 19.2281 19.2283 k = 0.0000 0.0000 0.5552 ( 1032 PWs) bands (ev): -47.1163 -47.1163 -21.4810 -21.4810 -14.0599 -14.0599 -13.5126 -13.5126 5.5473 5.5473 8.1192 8.1192 13.5531 13.5531 13.6290 13.6290 15.9375 15.9375 16.3455 16.3455 19.0506 19.0506 19.2269 19.2269 k = 0.5000 0.2887 0.5552 ( 1044 PWs) bands (ev): -47.0881 -47.0881 -21.5722 -21.5722 -14.1406 -14.1406 -13.8106 -13.8106 4.9779 4.9779 10.1798 10.1798 11.6881 11.6881 11.8371 11.8371 15.6005 15.6005 20.2554 20.2554 20.7157 20.7157 21.6967 21.6967 k = 0.5000 0.2887 0.5450 ( 1042 PWs) bands (ev): -47.0882 -47.0882 -21.5720 -21.5720 -14.1404 -14.1400 -13.8106 -13.8105 4.9753 4.9806 10.1661 10.1899 11.6635 11.7165 11.8381 11.8393 15.5882 15.6135 20.2512 20.2568 20.6974 20.7235 21.6808 21.7065 k = 0.5000 0.2887 0.5347 ( 1042 PWs) bands (ev): -47.0883 -47.0883 -21.5717 -21.5716 -14.1395 -14.1388 -13.8107 -13.8104 4.9728 4.9835 10.1494 10.1962 11.6430 11.7480 11.8424 11.8447 15.5766 15.6272 20.2445 20.2553 20.6690 20.7205 21.6588 21.7105 k = 0.5000 0.2887 0.5244 ( 1038 PWs) bands (ev): -47.0885 -47.0885 -21.5711 -21.5709 -14.1379 -14.1368 -13.8107 -13.8103 4.9704 4.9864 10.1300 10.1984 11.6269 11.7819 11.8498 11.8537 15.5658 15.6414 20.2354 20.2503 20.6311 20.7067 21.6311 21.7088 k = 0.5000 0.2887 0.5141 ( 1034 PWs) bands (ev): -47.0888 -47.0888 -21.5702 -21.5700 -14.1356 -14.1342 -13.8107 -13.8102 4.9681 4.9895 10.1084 10.1962 11.6156 11.8172 11.8604 11.8668 15.5557 15.6562 20.2239 20.2411 20.5850 20.6822 21.5978 21.7019 k = 0.5000 0.2887 0.5038 ( 1034 PWs) bands (ev): -47.0892 -47.0892 -21.5693 -21.5690 -14.1327 -14.1310 -13.8106 -13.8100 4.9659 4.9926 10.0850 10.1898 11.6090 11.8515 11.8741 11.8857 15.5463 15.6714 20.2100 20.2263 20.5326 20.6471 21.5599 21.6902 k = 0.5000 0.2887 0.4935 ( 1032 PWs) bands (ev): -47.0897 -47.0897 -21.5680 -21.5678 -14.1292 -14.1271 -13.8106 -13.8098 4.9637 4.9957 10.0604 10.1791 11.6070 11.8808 11.8910 11.9139 15.5375 15.6868 20.1937 20.2035 20.4771 20.6019 21.5180 21.6741 k = 0.5000 0.2887 0.4833 ( 1036 PWs) bands (ev): -47.0903 -47.0903 -21.5667 -21.5664 -14.1251 -14.1227 -13.8105 -13.8097 4.9616 4.9989 10.0347 10.1644 11.6095 11.9058 11.9109 11.9502 15.5291 15.7022 20.1692 20.1748 20.4230 20.5473 21.4732 21.6540 k = 0.5000 0.2887 0.4730 ( 1036 PWs) bands (ev): -47.0909 -47.0909 -21.5652 -21.5648 -14.1206 -14.1178 -13.8102 -13.8093 4.9594 5.0020 10.0085 10.1460 11.6162 11.9308 11.9338 11.9898 15.5211 15.7174 20.1194 20.1530 20.3753 20.4845 21.4264 21.6303 k = 0.5000 0.2887 0.4627 ( 1036 PWs) bands (ev): -47.0917 -47.0917 -21.5634 -21.5630 -14.1155 -14.1124 -13.8097 -13.8087 4.9571 5.0050 9.9821 10.1244 11.6266 11.9576 11.9598 12.0304 15.5133 15.7321 20.0528 20.1277 20.3366 20.4152 21.3784 21.6035 k = 0.5000 0.2887 0.4524 ( 1036 PWs) bands (ev): -47.0925 -47.0925 -21.5614 -21.5610 -14.1100 -14.1067 -13.8090 -13.8078 4.9548 5.0079 9.9557 10.0999 11.6405 11.9869 11.9887 12.0710 15.5054 15.7461 19.9722 20.0977 20.3058 20.3420 21.3301 21.5741 k = 0.5000 0.2887 0.4421 ( 1040 PWs) bands (ev): -47.0933 -47.0933 -21.5594 -21.5589 -14.1043 -14.1006 -13.8081 -13.8068 4.9523 5.0106 9.9295 10.0730 11.6572 12.0187 12.0205 12.1110 15.4972 15.7589 19.8817 20.0607 20.2690 20.2800 21.2818 21.5424 k = 0.5000 0.2887 0.4318 ( 1032 PWs) bands (ev): -47.0943 -47.0943 -21.5569 -21.5564 -14.0980 -14.0941 -13.8065 -13.8052 4.9496 5.0131 9.9039 10.0442 11.6766 12.0531 12.0551 12.1501 15.4885 15.7701 19.7852 20.0132 20.2013 20.2569 21.2339 21.5089 k = 0.5000 0.2887 0.4216 ( 1032 PWs) bands (ev): -47.0953 -47.0953 -21.5544 -21.5539 -14.0917 -14.0876 -13.8048 -13.8033 4.9467 5.0153 9.8789 10.0138 11.6981 12.0901 12.0924 12.1880 15.4787 15.7791 19.6859 19.9527 20.1437 20.2353 21.1868 21.4738 k = 0.5000 0.2887 0.4113 ( 1036 PWs) bands (ev): -47.0964 -47.0964 -21.5519 -21.5513 -14.0854 -14.0810 -13.8025 -13.8011 4.9435 5.0171 9.8547 9.9824 11.7214 12.1294 12.1324 12.2245 15.4677 15.7855 19.5863 19.8805 20.0964 20.2142 21.1405 21.4377 k = 0.5000 0.2887 0.4010 ( 1036 PWs) bands (ev): -47.0975 -47.0975 -21.5491 -21.5486 -14.0791 -14.0745 -13.7996 -13.7981 4.9400 5.0185 9.8315 9.9501 11.7462 12.1711 12.1749 12.2595 15.4549 15.7886 19.4884 19.8018 20.0564 20.1932 21.0951 21.4007 k = 0.5000 0.2887 0.3907 ( 1032 PWs) bands (ev): -47.0987 -47.0987 -21.5461 -21.5455 -14.0728 -14.0680 -13.7959 -13.7945 4.9361 5.0194 9.8092 9.9174 11.7723 12.2149 12.2198 12.2930 15.4400 15.7878 19.3941 19.7217 20.0204 20.1721 21.0507 21.3634 k = 0.5000 0.2887 0.3804 ( 1028 PWs) bands (ev): -47.1000 -47.1000 -21.5430 -21.5424 -14.0667 -14.0618 -13.7915 -13.7900 4.9319 5.0198 9.7880 9.8844 11.7995 12.2601 12.2671 12.3254 15.4224 15.7825 19.3051 19.6438 19.9865 20.1508 21.0073 21.3258 k = 0.5000 0.2887 0.3702 ( 1028 PWs) bands (ev): -47.1013 -47.1013 -21.5399 -21.5393 -14.0611 -14.0561 -13.7863 -13.7848 4.9272 5.0196 9.7680 9.8515 11.8276 12.3055 12.3166 12.3580 15.4017 15.7720 19.2229 19.5705 19.9537 20.1293 20.9650 21.2884 k = 0.5000 0.2887 0.3599 ( 1028 PWs) bands (ev): -47.1026 -47.1026 -21.5367 -21.5360 -14.0558 -14.0508 -13.7801 -13.7788 4.9221 5.0188 9.7490 9.8188 11.8564 12.3479 12.3683 12.3938 15.3776 15.7558 19.1486 19.5038 19.9213 20.1076 20.9238 21.2514 k = 0.5000 0.2887 0.3496 ( 1028 PWs) bands (ev): -47.1040 -47.1040 -21.5334 -21.5327 -14.0511 -14.0461 -13.7729 -13.7717 4.9165 5.0173 9.7310 9.7864 11.8859 12.3826 12.4220 12.4374 15.3497 15.7333 19.0835 19.4450 19.8893 20.0857 20.8839 21.2151 k = 0.5000 0.2887 0.3393 ( 1028 PWs) bands (ev): -47.1054 -47.1054 -21.5300 -21.5293 -14.0470 -14.0420 -13.7648 -13.7637 4.9104 5.0150 9.7141 9.7545 11.9161 12.4100 12.4776 12.4884 15.3177 15.7042 19.0282 19.3950 19.8575 20.0639 20.8454 21.1797 k = 0.5000 0.2887 0.3290 ( 1024 PWs) bands (ev): -47.1069 -47.1069 -21.5265 -21.5258 -14.0434 -14.0385 -13.7555 -13.7547 4.9039 5.0120 9.6981 9.7232 11.9468 12.4331 12.5350 12.5439 15.2816 15.6684 18.9833 19.3546 19.8259 20.0420 20.8084 21.1455 k = 0.5000 0.2887 0.3187 ( 1020 PWs) bands (ev): -47.1083 -47.1083 -21.5229 -21.5222 -14.0405 -14.0357 -13.7453 -13.7446 4.8969 5.0082 9.6830 9.6925 11.9782 12.4535 12.5942 12.6023 15.2412 15.6258 18.9491 19.3241 19.7945 20.0204 20.7730 21.1128 k = 0.5000 0.2887 0.3085 ( 1020 PWs) bands (ev): -47.1098 -47.1098 -21.5194 -21.5187 -14.0382 -14.0336 -13.7341 -13.7337 4.8893 5.0036 9.6626 9.6687 12.0101 12.4719 12.6548 12.6629 15.1967 15.5767 18.9254 19.3036 19.7634 19.9990 20.7395 21.0818 k = 0.5000 0.2887 0.2982 ( 1028 PWs) bands (ev): -47.1114 -47.1114 -21.5161 -21.5154 -14.0368 -14.0324 -13.7223 -13.7220 4.8814 4.9982 9.6333 9.6549 12.0427 12.4888 12.7169 12.7253 15.1482 15.5214 18.9119 19.2927 19.7328 19.9780 20.7081 21.0528 k = 0.5000 0.2887 0.2879 ( 1028 PWs) bands (ev): -47.1129 -47.1129 -21.5126 -21.5118 -14.0357 -14.0315 -13.7095 -13.7095 4.8730 4.9920 9.6049 9.6416 12.0760 12.5045 12.7803 12.7893 15.0960 15.4605 18.9081 19.2912 19.7026 19.9575 20.6792 21.0261 k = 0.5000 0.2887 0.2776 ( 1032 PWs) bands (ev): -47.1144 -47.1144 -21.5092 -21.5084 -14.0353 -14.0312 -13.6963 -13.6960 4.8641 4.9849 9.5772 9.6287 12.1099 12.5195 12.8447 12.8546 15.0406 15.3946 18.9131 19.2982 19.6732 19.9377 20.6530 21.0020 k = 0.5000 0.2887 0.2673 ( 1028 PWs) bands (ev): -47.1159 -47.1159 -21.5056 -21.5048 -14.0352 -14.0314 -13.6823 -13.6818 4.8549 4.9770 9.5503 9.6160 12.1447 12.5341 12.9102 12.9211 14.9824 15.3245 18.9259 19.3127 19.6446 19.9186 20.6300 20.9808 k = 0.5000 0.2887 0.2571 ( 1028 PWs) bands (ev): -47.1175 -47.1175 -21.5021 -21.5013 -14.0356 -14.0320 -13.6679 -13.6672 4.8454 4.9684 9.5242 9.6034 12.1803 12.5485 12.9764 12.9884 14.9219 15.2509 18.9455 19.3335 19.6172 19.9004 20.6107 20.9629 k = 0.5000 0.2887 0.2468 ( 1032 PWs) bands (ev): -47.1190 -47.1190 -21.4987 -21.4980 -14.0364 -14.0330 -13.6531 -13.6523 4.8356 4.9590 9.4990 9.5906 12.2168 12.5630 13.0433 13.0565 14.8594 15.1746 18.9706 19.3588 19.5915 19.8833 20.5956 20.9487 k = 0.5000 0.2887 0.2365 ( 1032 PWs) bands (ev): -47.1205 -47.1205 -21.4953 -21.4946 -14.0376 -14.0344 -13.6380 -13.6370 4.8256 4.9489 9.4745 9.5777 12.2543 12.5780 13.1105 13.1251 14.7957 15.0962 19.0000 19.3865 19.5685 19.8672 20.5854 20.9384 k = 0.5000 0.2887 0.2262 ( 1034 PWs) bands (ev): -47.1220 -47.1220 -21.4921 -21.4913 -14.0390 -14.0360 -13.6227 -13.6215 4.8155 4.9382 9.4509 9.5644 12.2928 12.5937 13.1778 13.1939 14.7310 15.0166 19.0326 19.4127 19.5505 19.8522 20.5808 20.9323 k = 0.5000 0.2887 0.2159 ( 1034 PWs) bands (ev): -47.1234 -47.1234 -21.4888 -21.4881 -14.0406 -14.0378 -13.6073 -13.6060 4.8053 4.9269 9.4282 9.5507 12.3323 12.6105 13.2451 13.2627 14.6658 14.9362 19.0670 19.4310 19.5422 19.8385 20.5825 20.9298 k = 0.5000 0.2887 0.2056 ( 1034 PWs) bands (ev): -47.1248 -47.1248 -21.4856 -21.4849 -14.0424 -14.0397 -13.5919 -13.5905 4.7950 4.9151 9.4064 9.5365 12.3729 12.6284 13.3121 13.3313 14.6005 14.8557 19.1022 19.4346 19.5492 19.8260 20.5910 20.9272 k = 0.5000 0.2887 0.1954 ( 1034 PWs) bands (ev): -47.1262 -47.1262 -21.4826 -21.4819 -14.0443 -14.0418 -13.5765 -13.5750 4.7849 4.9028 9.3854 9.5218 12.4146 12.6478 13.3784 13.3994 14.5355 14.7755 19.1371 19.4255 19.5679 19.8146 20.6063 20.8974 k = 0.5000 0.2887 0.1851 ( 1034 PWs) bands (ev): -47.1275 -47.1275 -21.4796 -21.4789 -14.0463 -14.0440 -13.5613 -13.5598 4.7748 4.8901 9.3655 9.5065 12.4573 12.6688 13.4437 13.4666 14.4709 14.6960 19.1707 19.4105 19.5902 19.8043 20.6279 20.8300 k = 0.5000 0.2887 0.1748 ( 1032 PWs) bands (ev): -47.1288 -47.1288 -21.4766 -21.4760 -14.0484 -14.0463 -13.5463 -13.5447 4.7650 4.8771 9.3465 9.4906 12.5011 12.6915 13.5077 13.5327 14.4072 14.6178 19.2023 19.3939 19.6112 19.7949 20.6536 20.7565 k = 0.5000 0.2887 0.1645 ( 1028 PWs) bands (ev): -47.1301 -47.1301 -21.4738 -21.4732 -14.0505 -14.0485 -13.5316 -13.5301 4.7555 4.8640 9.3286 9.4742 12.5458 12.7162 13.5700 13.5972 14.3444 14.5412 19.2314 19.3772 19.6287 19.7860 20.6786 20.6837 k = 0.5000 0.2887 0.1542 ( 1028 PWs) bands (ev): -47.1313 -47.1313 -21.4712 -21.4706 -14.0526 -14.0508 -13.5175 -13.5159 4.7464 4.8507 9.3118 9.4573 12.5916 12.7428 13.6300 13.6598 14.2830 14.4666 19.2576 19.3615 19.6418 19.7773 20.6134 20.6946 k = 0.5000 0.2887 0.1439 ( 1028 PWs) bands (ev): -47.1324 -47.1324 -21.4687 -21.4681 -14.0547 -14.0530 -13.5039 -13.5023 4.7377 4.8375 9.2963 9.4401 12.6382 12.7714 13.6870 13.7198 14.2231 14.3945 19.2808 19.3470 19.6506 19.7683 20.5463 20.6922 k = 0.5000 0.2887 0.1337 ( 1032 PWs) bands (ev): -47.1335 -47.1335 -21.4664 -21.4659 -14.0569 -14.0553 -13.4909 -13.4894 4.7295 4.8242 9.2819 9.4225 12.6856 12.8020 13.7401 13.7764 14.1655 14.3258 19.3010 19.3341 19.6554 19.7587 20.4831 20.6695 k = 0.5000 0.2887 0.1234 ( 1032 PWs) bands (ev): -47.1345 -47.1345 -21.4642 -21.4637 -14.0588 -14.0574 -13.4786 -13.4771 4.7220 4.8112 9.2689 9.4048 12.7337 12.8345 13.7877 13.8280 14.1114 14.2618 19.3185 19.3231 19.6566 19.7480 20.4246 20.6327 k = 0.5000 0.2887 0.1131 ( 1034 PWs) bands (ev): -47.1354 -47.1354 -21.4622 -21.4617 -14.0607 -14.0594 -13.4670 -13.4656 4.7151 4.7985 9.2573 9.3871 12.7824 12.8689 13.8272 13.8706 14.0645 14.2048 19.3140 19.3334 19.6549 19.7357 20.3713 20.5887 k = 0.5000 0.2887 0.1028 ( 1038 PWs) bands (ev): -47.1363 -47.1363 -21.4604 -21.4600 -14.0625 -14.0614 -13.4563 -13.4549 4.7090 4.7860 9.2472 9.3695 12.8315 12.9050 13.8541 13.8926 14.0360 14.1591 19.3070 19.3462 19.6508 19.7216 20.3239 20.5421 k = 0.5000 0.2887 0.0925 ( 1042 PWs) bands (ev): -47.1371 -47.1371 -21.4588 -21.4584 -14.0643 -14.0632 -13.4463 -13.4450 4.7037 4.7741 9.2385 9.3523 12.8809 12.9427 13.8615 13.8788 14.0410 14.1314 19.3023 19.3570 19.6449 19.7055 20.2829 20.4954 k = 0.5000 0.2887 0.0823 ( 1042 PWs) bands (ev): -47.1379 -47.1379 -21.4572 -21.4569 -14.0658 -14.0649 -13.4372 -13.4360 4.6993 4.7627 9.2315 9.3355 12.9303 12.9818 13.8405 13.8457 14.0678 14.1250 19.2999 19.3659 19.6376 19.6876 20.2486 20.4501 k = 0.5000 0.2887 0.0720 ( 1034 PWs) bands (ev): -47.1385 -47.1385 -21.4556 -21.4553 -14.0670 -14.0662 -13.4288 -13.4277 4.6958 4.7519 9.2260 9.3193 12.9796 13.0220 13.7942 13.8117 14.0997 14.1351 19.2999 19.3730 19.6295 19.6684 20.2212 20.4069 k = 0.5000 0.2887 0.0617 ( 1036 PWs) bands (ev): -47.1390 -47.1390 -21.4544 -21.4542 -14.0682 -14.0675 -13.4217 -13.4208 4.6932 4.7418 9.2223 9.3038 13.0282 13.0628 13.7461 13.7678 14.1306 14.1529 19.3022 19.3782 19.6208 19.6488 20.2006 20.3665 k = 0.5000 0.2887 0.0514 ( 1036 PWs) bands (ev): -47.1395 -47.1395 -21.4534 -21.4532 -14.0692 -14.0687 -13.4155 -13.4148 4.6916 4.7325 9.2202 9.2894 13.0758 13.1037 13.6985 13.7202 14.1583 14.1727 19.3069 19.3813 19.6119 19.6298 20.1866 20.3294 k = 0.5000 0.2887 0.0411 ( 1034 PWs) bands (ev): -47.1399 -47.1399 -21.4525 -21.4523 -14.0700 -14.0696 -13.4104 -13.4098 4.6911 4.7240 9.2199 9.2759 13.1214 13.1436 13.6531 13.6727 14.1817 14.1911 19.3138 19.3817 19.6034 19.6127 20.1787 20.2958 k = 0.5000 0.2887 0.0308 ( 1038 PWs) bands (ev): -47.1402 -47.1402 -21.4519 -21.4518 -14.0707 -14.0704 -13.4065 -13.4060 4.6915 4.7164 9.2212 9.2637 13.1638 13.1808 13.6116 13.6279 14.2004 14.2064 19.3225 19.3792 19.5956 19.5988 20.1766 20.2660 k = 0.5000 0.2887 0.0206 ( 1034 PWs) bands (ev): -47.1404 -47.1404 -21.4513 -21.4512 -14.0711 -14.0709 -13.4034 -13.4031 4.6931 4.7097 9.2243 9.2528 13.2004 13.2124 13.5771 13.5891 14.2142 14.2177 19.3328 19.3737 19.5890 19.5890 20.1798 20.2401 k = 0.5000 0.2887 0.0103 ( 1034 PWs) bands (ev): -47.1406 -47.1406 -21.4510 -21.4510 -14.0714 -14.0713 -13.4016 -13.4015 4.6957 4.7040 9.2290 9.2434 13.2275 13.2339 13.5540 13.5606 14.2228 14.2244 19.3440 19.3654 19.5836 19.5843 20.1880 20.2183 k = 0.5000 0.2887-0.0000 ( 1034 PWs) bands (ev): -47.1406 -47.1406 -21.4509 -21.4509 -14.0714 -14.0714 -13.4010 -13.4010 4.6993 4.6993 9.2354 9.2354 13.2397 13.2397 13.5478 13.5478 14.2261 14.2261 19.3552 19.3552 19.5823 19.5823 20.2009 20.2009 k = 0.3333 0.5774-0.0000 ( 1041 PWs) bands (ev): -47.1369 -47.1369 -21.4713 -21.4584 -14.1262 -14.0640 -13.4568 -13.4359 4.9285 5.2917 9.9503 9.9525 11.0005 11.5443 13.5472 13.6178 16.4399 16.7204 16.9855 17.0464 17.9847 18.0957 19.0708 19.4512 k = 0.3333 0.5774 0.0103 ( 1041 PWs) bands (ev): -47.1369 -47.1369 -21.4713 -21.4585 -14.1261 -14.0638 -13.4574 -13.4365 4.9287 5.2916 9.9533 9.9553 10.9995 11.5428 13.5430 13.6136 16.4334 16.7100 16.9899 17.0482 17.9952 18.1052 19.0759 19.4561 k = 0.3333 0.5774 0.0206 ( 1032 PWs) bands (ev): -47.1367 -47.1367 -21.4714 -21.4585 -14.1255 -14.0633 -13.4589 -13.4381 4.9291 5.2914 9.9620 9.9637 10.9966 11.5381 13.5303 13.6009 16.4145 16.6808 17.0017 17.0538 18.0260 18.1332 19.0908 19.4706 k = 0.3333 0.5774 0.0308 ( 1032 PWs) bands (ev): -47.1365 -47.1365 -21.4718 -21.4590 -14.1248 -14.0627 -13.4619 -13.4410 4.9297 5.2911 9.9766 9.9776 10.9917 11.5302 13.5095 13.5800 16.3845 16.6373 17.0184 17.0631 18.0749 18.1782 19.1155 19.4945 k = 0.3333 0.5774 0.0411 ( 1032 PWs) bands (ev): -47.1362 -47.1362 -21.4725 -21.4596 -14.1238 -14.0618 -13.4660 -13.4451 4.9307 5.2906 9.9970 9.9971 10.9850 11.5193 13.4807 13.5511 16.3452 16.5839 17.0384 17.0761 18.1395 18.2384 19.1496 19.5276 k = 0.3333 0.5774 0.0514 ( 1032 PWs) bands (ev): -47.1358 -47.1358 -21.4733 -21.4604 -14.1225 -14.0606 -13.4712 -13.4504 4.9318 5.2899 10.0220 10.0230 10.9763 11.5052 13.4443 13.5148 16.2989 16.5238 17.0611 17.0928 18.2168 18.3117 19.1927 19.5693 k = 0.3333 0.5774 0.0617 ( 1038 PWs) bands (ev): -47.1354 -47.1354 -21.4744 -21.4616 -14.1211 -14.0593 -13.4776 -13.4569 4.9332 5.2891 10.0521 10.0547 10.9658 11.4880 13.4008 13.4714 16.2475 16.4596 17.0864 17.1132 18.3045 18.3960 19.2441 19.6192 k = 0.3333 0.5774 0.0720 ( 1038 PWs) bands (ev): -47.1348 -47.1348 -21.4755 -21.4628 -14.1192 -14.0576 -13.4850 -13.4644 4.9349 5.2881 10.0875 10.0920 10.9536 11.4678 13.3508 13.4216 16.1928 16.3931 17.1144 17.1374 18.4006 18.4894 19.3033 19.6767 k = 0.3333 0.5774 0.0823 ( 1038 PWs) bands (ev): -47.1342 -47.1342 -21.4768 -21.4641 -14.1171 -14.0557 -13.4935 -13.4729 4.9368 5.2870 10.1278 10.1347 10.9398 11.4446 13.2946 13.3659 16.1363 16.3258 17.1454 17.1653 18.5033 18.5905 19.3695 19.7412 k = 0.3333 0.5774 0.0925 ( 1050 PWs) bands (ev): -47.1335 -47.1335 -21.4786 -21.4660 -14.1148 -14.0536 -13.5034 -13.4829 4.9389 5.2856 10.1728 10.1828 10.9245 11.4183 13.2331 13.3051 16.0793 16.2586 17.1796 17.1970 18.6115 18.6979 19.4422 19.8118 k = 0.3333 0.5774 0.1028 ( 1050 PWs) bands (ev): -47.1327 -47.1327 -21.4803 -21.4677 -14.1122 -14.0513 -13.5138 -13.4935 4.9413 5.2841 10.2222 10.2360 10.9079 11.3892 13.1666 13.2397 16.0228 16.1924 17.2170 17.2324 18.7242 18.8104 19.5205 19.8880 k = 0.3333 0.5774 0.1131 ( 1047 PWs) bands (ev): -47.1318 -47.1318 -21.4820 -21.4694 -14.1093 -14.0487 -13.5251 -13.5048 4.9439 5.2825 10.2755 10.2943 10.8905 11.3572 13.0959 13.1703 15.9675 16.1279 17.2579 17.2716 18.8406 18.9272 19.6039 19.9691 k = 0.3333 0.5774 0.1234 ( 1047 PWs) bands (ev): -47.1309 -47.1309 -21.4839 -21.4715 -14.1062 -14.0459 -13.5373 -13.5172 4.9468 5.2806 10.3320 10.3575 10.8729 11.3224 13.0216 13.0976 15.9142 16.0655 17.3022 17.3144 18.9600 19.0476 19.6914 20.0542 k = 0.3333 0.5774 0.1337 ( 1047 PWs) bands (ev): -47.1299 -47.1299 -21.4860 -21.4736 -14.1029 -14.0428 -13.5504 -13.5304 4.9498 5.2786 10.3903 10.4253 10.8563 11.2850 12.9442 13.0221 15.8632 16.0056 17.3500 17.3611 19.0820 19.1709 19.7826 20.1428 k = 0.3333 0.5774 0.1439 ( 1047 PWs) bands (ev): -47.1288 -47.1288 -21.4883 -21.4759 -14.0994 -14.0396 -13.5643 -13.5444 4.9531 5.2763 10.4484 10.4975 10.8426 11.2451 12.8642 12.9445 15.8149 15.9484 17.4014 17.4114 19.2061 19.2964 19.8768 20.2340 k = 0.3333 0.5774 0.1542 ( 1041 PWs) bands (ev): -47.1276 -47.1276 -21.4905 -21.4782 -14.0956 -14.0362 -13.5787 -13.5589 4.9566 5.2739 10.5021 10.5741 10.8358 11.2027 12.7823 12.8651 15.7697 15.8942 17.4564 17.4655 19.3321 19.4239 19.9733 20.3272 k = 0.3333 0.5774 0.1645 ( 1041 PWs) bands (ev): -47.1265 -47.1265 -21.4930 -21.4808 -14.0916 -14.0326 -13.5939 -13.5743 4.9602 5.2712 10.5447 10.6546 10.8427 11.1581 12.6989 12.7846 15.7277 15.8432 17.5149 17.5232 19.4596 19.5528 20.0716 20.4218 k = 0.3333 0.5774 0.1748 ( 1041 PWs) bands (ev): -47.1252 -47.1252 -21.4956 -21.4835 -14.0875 -14.0289 -13.6097 -13.5902 4.9641 5.2683 10.5683 10.7387 10.8708 11.1113 12.6145 12.7032 15.6890 15.7954 17.5769 17.5845 19.5884 19.6827 20.1713 20.5170 k = 0.3333 0.5774 0.1851 ( 1041 PWs) bands (ev): -47.1239 -47.1239 -21.4984 -21.4863 -14.0832 -14.0250 -13.6261 -13.6067 4.9681 5.2651 10.5709 10.8262 10.9221 11.0627 12.5297 12.6216 15.6537 15.7510 17.6425 17.6494 19.7183 19.8133 20.2718 20.6122 k = 0.3333 0.5774 0.1954 ( 1041 PWs) bands (ev): -47.1226 -47.1226 -21.5012 -21.4893 -14.0788 -14.0210 -13.6429 -13.6237 4.9722 5.2618 10.5580 10.9167 10.9911 11.0124 12.4449 12.5399 15.6218 15.7100 17.7115 17.7178 19.8491 19.9440 20.3728 20.7067 k = 0.3333 0.5774 0.2056 ( 1041 PWs) bands (ev): -47.1212 -47.1212 -21.5042 -21.4923 -14.0742 -14.0169 -13.6601 -13.6411 4.9765 5.2582 10.5353 10.9605 11.0097 11.0716 12.3608 12.4585 15.5933 15.6723 17.7839 17.7897 19.9807 20.0746 20.4739 20.7998 k = 0.3333 0.5774 0.2159 ( 1026 PWs) bands (ev): -47.1198 -47.1198 -21.5068 -21.4950 -14.0692 -14.0123 -13.6775 -13.6586 4.9809 5.2544 10.5068 10.9073 11.1046 11.1599 12.2780 12.3779 15.5682 15.6381 17.8597 17.8649 20.1130 20.2044 20.5751 20.8908 k = 0.3333 0.5774 0.2262 ( 1026 PWs) bands (ev): -47.1183 -47.1183 -21.5099 -21.4982 -14.0644 -14.0080 -13.6954 -13.6766 4.9854 5.2503 10.4745 10.8530 11.2004 11.2535 12.1975 12.2981 15.5464 15.6071 17.9387 17.9433 20.2457 20.3329 20.6761 20.9786 k = 0.3333 0.5774 0.2365 ( 1026 PWs) bands (ev): -47.1168 -47.1168 -21.5131 -21.5015 -14.0595 -14.0035 -13.7134 -13.6948 4.9900 5.2460 10.4397 10.7979 11.2958 11.3512 12.1205 12.2195 15.5277 15.5795 18.0207 18.0247 20.3789 20.4594 20.7772 21.0623 k = 0.3333 0.5774 0.2468 ( 1026 PWs) bands (ev): -47.1154 -47.1154 -21.5164 -21.5048 -14.0546 -13.9990 -13.7316 -13.7132 4.9947 5.2415 10.4031 10.7421 11.3883 11.4520 12.0497 12.1424 15.5120 15.5550 18.1056 18.1091 20.5123 20.5827 20.8784 21.1405 k = 0.3333 0.5774 0.2571 ( 1026 PWs) bands (ev): -47.1139 -47.1139 -21.5197 -21.5082 -14.0495 -13.9945 -13.7498 -13.7316 4.9994 5.2368 10.3653 10.6859 11.4726 11.5553 11.9900 12.0668 15.4992 15.5335 18.1932 18.1961 20.6460 20.7015 20.9805 21.2115 k = 0.3333 0.5774 0.2673 ( 1023 PWs) bands (ev): -47.1123 -47.1123 -21.5229 -21.5116 -14.0444 -13.9899 -13.7681 -13.7500 5.0041 5.2319 10.3265 10.6294 11.5379 11.6605 11.9523 11.9930 15.4892 15.5151 18.2834 18.2855 20.7799 20.8144 21.0839 21.2728 k = 0.3333 0.5774 0.2776 ( 1017 PWs) bands (ev): -47.1108 -47.1108 -21.5261 -21.5149 -14.0393 -13.9852 -13.7861 -13.7682 5.0089 5.2268 10.2871 10.5730 11.5670 11.7672 11.9212 11.9537 15.4817 15.4995 18.3757 18.3771 20.9138 20.9195 21.1892 21.3217 k = 0.3333 0.5774 0.2879 ( 1017 PWs) bands (ev): -47.1093 -47.1093 -21.5295 -21.5184 -14.0342 -13.9806 -13.8042 -13.7865 5.0137 5.2215 10.2473 10.5168 11.5531 11.8514 11.8749 12.0006 15.4766 15.4867 18.4698 18.4704 21.0152 21.0476 21.2962 21.3551 k = 0.3333 0.5774 0.2982 ( 1023 PWs) bands (ev): -47.1078 -47.1078 -21.5331 -21.5220 -14.0291 -13.9761 -13.8224 -13.8048 5.0184 5.2160 10.2075 10.4611 11.5108 11.7839 11.9832 12.0786 15.4737 15.4764 18.5651 18.5655 21.1003 21.1815 21.3709 21.4037 k = 0.3333 0.5774 0.3085 ( 1023 PWs) bands (ev): -47.1063 -47.1063 -21.5364 -21.5255 -14.0241 -13.9715 -13.8401 -13.8227 5.0231 5.2104 10.1677 10.4059 11.4553 11.7186 12.0918 12.1719 15.4685 15.4729 18.6606 18.6621 21.1736 21.3151 21.3691 21.5089 k = 0.3333 0.5774 0.3187 ( 1023 PWs) bands (ev): -47.1048 -47.1048 -21.5398 -21.5289 -14.0191 -13.9670 -13.8575 -13.8403 5.0278 5.2046 10.1282 10.3516 11.3946 11.6558 12.2002 12.2726 15.4629 15.4739 18.7565 18.7593 21.2336 21.3521 21.4485 21.6072 k = 0.3333 0.5774 0.3290 ( 1023 PWs) bands (ev): -47.1033 -47.1033 -21.5432 -21.5323 -14.0141 -13.9625 -13.8746 -13.8576 5.0324 5.1988 10.0891 10.2983 11.3324 11.5954 12.3080 12.3766 15.4594 15.4765 18.8521 18.8564 21.2786 21.3235 21.5816 21.6921 k = 0.3333 0.5774 0.3393 ( 1029 PWs) bands (ev): -47.1019 -47.1019 -21.5466 -21.5359 -14.0093 -13.9582 -13.8915 -13.8746 5.0369 5.1929 10.0507 10.2462 11.2703 11.5376 12.4148 12.4820 15.4579 15.4807 18.9467 18.9528 21.2872 21.3070 21.7142 21.7589 k = 0.3333 0.5774 0.3496 ( 1029 PWs) bands (ev): -47.1005 -47.1005 -21.5498 -21.5392 -14.0046 -13.9539 -13.9077 -13.8910 5.0413 5.1869 10.0130 10.1955 11.2095 11.4824 12.5203 12.5875 15.4581 15.4861 19.0396 19.0477 21.2462 21.3183 21.8098 21.8463 k = 0.3333 0.5774 0.3599 ( 1035 PWs) bands (ev): -47.0991 -47.0991 -21.5532 -21.5426 -14.0001 -13.9498 -13.9235 -13.9069 5.0455 5.1810 9.9762 10.1463 11.1504 11.4298 12.6241 12.6922 15.4600 15.4927 19.1300 19.1404 21.2026 21.3139 21.8528 21.9777 k = 0.3333 0.5774 0.3702 ( 1035 PWs) bands (ev): -47.0977 -47.0977 -21.5563 -21.5458 -13.9955 -13.9457 -13.9388 -13.9223 5.0497 5.1750 9.9405 10.0987 11.0934 11.3799 12.7257 12.7955 15.4633 15.5001 19.2171 19.2301 21.1579 21.2970 21.8937 22.1083 k = 0.3333 0.5774 0.3804 ( 1035 PWs) bands (ev): -47.0964 -47.0964 -21.5593 -21.5489 -13.9912 -13.9534 -13.9418 -13.9371 5.0537 5.1691 9.9060 10.0530 11.0388 11.3328 12.8248 12.8969 15.4679 15.5084 19.2999 19.3159 21.1134 21.2714 21.9348 22.2379 k = 0.3333 0.5774 0.3907 ( 1032 PWs) bands (ev): -47.0952 -47.0952 -21.5621 -21.5518 -13.9869 -13.9673 -13.9512 -13.9380 5.0575 5.1633 9.8728 10.0091 10.9868 11.2883 12.9210 12.9957 15.4736 15.5172 19.3777 19.3970 21.0697 21.2402 21.9761 22.3663 k = 0.3333 0.5774 0.4010 ( 1029 PWs) bands (ev): -47.0940 -47.0940 -21.5648 -21.5546 -13.9828 -13.9807 -13.9647 -13.9342 5.0612 5.1577 9.8411 9.9674 10.9375 11.2466 13.0138 13.0915 15.4802 15.5264 19.4498 19.4726 21.0275 21.2059 22.0169 22.4705 k = 0.3333 0.5774 0.4113 ( 1029 PWs) bands (ev): -47.0928 -47.0928 -21.5675 -21.5573 -13.9934 -13.9789 -13.9775 -13.9307 5.0647 5.1521 9.8109 9.9278 10.8911 11.2076 13.1030 13.1839 15.4876 15.5359 19.5154 19.5420 20.9870 21.1704 22.0566 22.5129 k = 0.3333 0.5774 0.4216 ( 1029 PWs) bands (ev): -47.0918 -47.0918 -21.5701 -21.5599 -14.0053 -13.9895 -13.9753 -13.9274 5.0680 5.1468 9.7823 9.8906 10.8475 11.1714 13.1880 13.2723 15.4956 15.5455 19.5742 19.6047 20.9486 21.1347 22.0946 22.5528 k = 0.3333 0.5774 0.4318 ( 1035 PWs) bands (ev): -47.0908 -47.0908 -21.5726 -21.5626 -14.0166 -14.0009 -13.9720 -13.9245 5.0710 5.1417 9.7555 9.8557 10.8070 11.1379 13.2685 13.3564 15.5040 15.5550 19.6258 19.6604 20.9125 21.0999 22.1305 22.5899 k = 0.3333 0.5774 0.4421 ( 1035 PWs) bands (ev): -47.0898 -47.0898 -21.5749 -21.5649 -14.0270 -14.0114 -13.9687 -13.9216 5.0739 5.1368 9.7306 9.8232 10.7695 11.1071 13.3442 13.4358 15.5126 15.5644 19.6703 19.7088 20.8788 21.0665 22.1640 22.6242 k = 0.3333 0.5774 0.4524 ( 1035 PWs) bands (ev): -47.0889 -47.0889 -21.5769 -21.5670 -14.0366 -14.0211 -13.9658 -13.9189 5.0765 5.1323 9.7075 9.7934 10.7352 11.0791 13.4147 13.5099 15.5213 15.5734 19.7077 19.7501 20.8477 21.0350 22.1950 22.6556 k = 0.3333 0.5774 0.4627 ( 1035 PWs) bands (ev): -47.0881 -47.0881 -21.5789 -21.5689 -14.0453 -14.0299 -13.9630 -13.9164 5.0789 5.1280 9.6864 9.7661 10.7040 11.0538 13.4797 13.5785 15.5299 15.5820 19.7385 19.7846 20.8192 21.0058 22.2233 22.6841 k = 0.3333 0.5774 0.4730 ( 1035 PWs) bands (ev): -47.0874 -47.0874 -21.5806 -21.5707 -14.0532 -14.0378 -13.9606 -13.9142 5.0811 5.1241 9.6674 9.7416 10.6760 11.0312 13.5387 13.6411 15.5381 15.5900 19.7633 19.8127 20.7935 20.9792 22.2487 22.7095 k = 0.3333 0.5774 0.4833 ( 1035 PWs) bands (ev): -47.0868 -47.0868 -21.5821 -21.5723 -14.0602 -14.0449 -13.9584 -13.9122 5.0830 5.1207 9.6504 9.7198 10.6513 11.0113 13.5915 13.6973 15.5459 15.5973 19.7828 19.8351 20.7705 20.9553 22.2713 22.7321 k = 0.3333 0.5774 0.4935 ( 1035 PWs) bands (ev): -47.0862 -47.0862 -21.5835 -21.5737 -14.0663 -14.0511 -13.9565 -13.9105 5.0847 5.1176 9.6357 9.7008 10.6297 10.9941 13.6379 13.7468 15.5531 15.6038 19.7976 19.8524 20.7504 20.9343 22.2909 22.7516 k = 0.3333 0.5774 0.5038 ( 1035 PWs) bands (ev): -47.0857 -47.0857 -21.5846 -21.5749 -14.0714 -14.0563 -13.9548 -13.9090 5.0861 5.1149 9.6231 9.6846 10.6115 10.9795 13.6776 13.7893 15.5594 15.6095 19.8086 19.8655 20.7332 20.9164 22.3075 22.7681 k = 0.3333 0.5774 0.5141 ( 1041 PWs) bands (ev): -47.0853 -47.0853 -21.5857 -21.5760 -14.0759 -14.0608 -13.9535 -13.9079 5.0873 5.1127 9.6127 9.6713 10.5966 10.9676 13.7104 13.8244 15.5648 15.6142 19.8165 19.8751 20.7191 20.9016 22.3212 22.7817 k = 0.3333 0.5774 0.5244 ( 1032 PWs) bands (ev): -47.0850 -47.0850 -21.5862 -21.5765 -14.0790 -14.0639 -13.9523 -13.9068 5.0882 5.1110 9.6047 9.6610 10.5849 10.9584 13.7361 13.8521 15.5692 15.6180 19.8220 19.8818 20.7080 20.8900 22.3318 22.7922 k = 0.3333 0.5774 0.5347 ( 1032 PWs) bands (ev): -47.0848 -47.0848 -21.5868 -21.5771 -14.0814 -14.0663 -13.9516 -13.9061 5.0889 5.1098 9.5989 9.6536 10.5766 10.9518 13.7545 13.8720 15.5724 15.6207 19.8255 19.8861 20.7000 20.8817 22.3394 22.7998 k = 0.3333 0.5774 0.5450 ( 1032 PWs) bands (ev): -47.0846 -47.0846 -21.5871 -21.5774 -14.0828 -14.0678 -13.9511 -13.9057 5.0893 5.1090 9.5954 9.6491 10.5716 10.9479 13.7656 13.8840 15.5743 15.6224 19.8274 19.8886 20.6952 20.8767 22.3440 22.8043 k = 0.3333 0.5774 0.5552 ( 1032 PWs) bands (ev): -47.0846 -47.0846 -21.5872 -21.5775 -14.0833 -14.0682 -13.9510 -13.9056 5.0894 5.1088 9.5942 9.6477 10.5700 10.9466 13.7693 13.8880 15.5750 15.6229 19.8280 19.8894 20.6936 20.8750 22.3455 22.8058 Writing output data file HfC.save init_run : 3.37s CPU 13.07s WALL ( 1 calls) electrons : 137.29s CPU 141.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.23s CPU 1.28s WALL ( 1 calls) Called by electrons: c_bands : 137.27s CPU 141.76s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.75s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.05s CPU 0.44s WALL ( 1 calls) newd : 0.34s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 479 calls) cegterg : 103.32s CPU 104.13s WALL ( 652 calls) Called by sum_band: Called by *egterg: h_psi : 53.28s CPU 57.16s WALL ( 10419 calls) s_psi : 2.99s CPU 3.88s WALL ( 10419 calls) g_psi : 0.04s CPU 0.13s WALL ( 9288 calls) cdiaghg : 33.22s CPU 32.35s WALL ( 9767 calls) cegterg:over : 9.47s CPU 7.49s WALL ( 9288 calls) cegterg:upda : 0.23s CPU 0.97s WALL ( 9288 calls) cegterg:last : 0.27s CPU 0.78s WALL ( 2056 calls) Called by h_psi: h_psi:vloc : 45.45s CPU 49.40s WALL ( 10419 calls) h_psi:vnl : 7.81s CPU 7.54s WALL ( 10419 calls) add_vuspsi : 0.99s CPU 2.53s WALL ( 10419 calls) General routines calbec : 6.79s CPU 4.90s WALL ( 10419 calls) fft : 0.16s CPU 1.30s WALL ( 19 calls) ffts : 0.00s CPU 0.07s WALL ( 4 calls) fftw : 44.15s CPU 47.41s WALL ( 607828 calls) interpolate : 0.07s CPU 0.17s WALL ( 4 calls) davcio : 0.03s CPU 1.57s WALL ( 958 calls) Parallel routines fft_scatter : 33.46s CPU 34.10s WALL ( 607851 calls) PWSCF : 2m52.14s CPU 6m 4.21s WALL This run was terminated on: 17:36:56 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=