Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Zr.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 14 4 416 416 70 Max 15 15 5 423 423 75 Sum 511 511 163 15025 15025 2575 bravais-lattice index = 14 lattice parameter (alat) = 6.1076 a.u. unit-cell volume = 314.2129 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.107594 celldm(2)= 1.000000 celldm(3)= 1.592512 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.592512 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.627939 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 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 [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 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 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 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. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 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. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 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_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 412 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0087719 0.0050645 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0175439 0.0101290 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0024272 k( 5) = ( 0.0350877 0.0202579 -0.0000000), wk = 0.0024272 k( 6) = ( 0.0438597 0.0253224 -0.0000000), wk = 0.0024272 k( 7) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0024272 k( 8) = ( 0.0614035 0.0354513 -0.0000000), wk = 0.0024272 k( 9) = ( 0.0701754 0.0405158 -0.0000000), wk = 0.0024272 k( 10) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0024272 k( 11) = ( 0.0877193 0.0506448 -0.0000000), wk = 0.0024272 k( 12) = ( 0.0964912 0.0557092 -0.0000000), wk = 0.0024272 k( 13) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0024272 k( 14) = ( 0.1140351 0.0658382 -0.0000000), wk = 0.0024272 k( 15) = ( 0.1228070 0.0709027 -0.0000000), wk = 0.0024272 k( 16) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0024272 k( 17) = ( 0.1403509 0.0810316 -0.0000000), wk = 0.0024272 k( 18) = ( 0.1491228 0.0860961 -0.0000000), wk = 0.0024272 k( 19) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0024272 k( 20) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0024272 k( 21) = ( 0.1754386 0.1012895 -0.0000000), wk = 0.0024272 k( 22) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0024272 k( 23) = ( 0.1929825 0.1114185 -0.0000000), wk = 0.0024272 k( 24) = ( 0.2017544 0.1164830 -0.0000000), wk = 0.0024272 k( 25) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0024272 k( 26) = ( 0.2192983 0.1266119 -0.0000000), wk = 0.0024272 k( 27) = ( 0.2280702 0.1316764 -0.0000000), wk = 0.0024272 k( 28) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0024272 k( 29) = ( 0.2456140 0.1418053 -0.0000000), wk = 0.0024272 k( 30) = ( 0.2543860 0.1468698 -0.0000000), wk = 0.0024272 k( 31) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0024272 k( 32) = ( 0.2719298 0.1569988 -0.0000000), wk = 0.0024272 k( 33) = ( 0.2807018 0.1620632 -0.0000000), wk = 0.0024272 k( 34) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0024272 k( 35) = ( 0.2982456 0.1721922 -0.0000000), wk = 0.0024272 k( 36) = ( 0.3070175 0.1772567 -0.0000000), wk = 0.0024272 k( 37) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0024272 k( 38) = ( 0.3245614 0.1873856 -0.0000000), wk = 0.0024272 k( 39) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0024272 k( 40) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0024272 k( 41) = ( 0.3508772 0.2025790 -0.0000000), wk = 0.0024272 k( 42) = ( 0.3596491 0.2076435 -0.0000000), wk = 0.0024272 k( 43) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0024272 k( 44) = ( 0.3771930 0.2177725 -0.0000000), wk = 0.0024272 k( 45) = ( 0.3859649 0.2228369 -0.0000000), wk = 0.0024272 k( 46) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0024272 k( 47) = ( 0.4035088 0.2329659 -0.0000000), wk = 0.0024272 k( 48) = ( 0.4122807 0.2380304 -0.0000000), wk = 0.0024272 k( 49) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0024272 k( 50) = ( 0.4298246 0.2481593 -0.0000000), wk = 0.0024272 k( 51) = ( 0.4385965 0.2532238 -0.0000000), wk = 0.0024272 k( 52) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0024272 k( 53) = ( 0.4561404 0.2633528 -0.0000000), wk = 0.0024272 k( 54) = ( 0.4649123 0.2684172 -0.0000000), wk = 0.0024272 k( 55) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0024272 k( 56) = ( 0.4824561 0.2785462 -0.0000000), wk = 0.0024272 k( 57) = ( 0.4912281 0.2836107 -0.0000000), wk = 0.0024272 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024272 k( 59) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024272 k( 60) = ( 0.4949495 0.2974229 -0.0000000), wk = 0.0024272 k( 61) = ( 0.4898990 0.3061706 -0.0000000), wk = 0.0024272 k( 62) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0024272 k( 63) = ( 0.4797980 0.3236661 -0.0000000), wk = 0.0024272 k( 64) = ( 0.4747475 0.3324138 -0.0000000), wk = 0.0024272 k( 65) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0024272 k( 66) = ( 0.4646465 0.3499093 -0.0000000), wk = 0.0024272 k( 67) = ( 0.4595960 0.3586570 -0.0000000), wk = 0.0024272 k( 68) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0024272 k( 69) = ( 0.4494950 0.3761524 -0.0000000), wk = 0.0024272 k( 70) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0024272 k( 71) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0024272 k( 72) = ( 0.4343434 0.4023956 -0.0000000), wk = 0.0024272 k( 73) = ( 0.4292929 0.4111434 -0.0000000), wk = 0.0024272 k( 74) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0024272 k( 75) = ( 0.4191919 0.4286388 -0.0000000), wk = 0.0024272 k( 76) = ( 0.4141414 0.4373866 -0.0000000), wk = 0.0024272 k( 77) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0024272 k( 78) = ( 0.4040404 0.4548820 -0.0000000), wk = 0.0024272 k( 79) = ( 0.3989899 0.4636298 -0.0000000), wk = 0.0024272 k( 80) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0024272 k( 81) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0024272 k( 82) = ( 0.3838384 0.4898730 -0.0000000), wk = 0.0024272 k( 83) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0024272 k( 84) = ( 0.3737374 0.5073684 -0.0000000), wk = 0.0024272 k( 85) = ( 0.3686869 0.5161161 -0.0000000), wk = 0.0024272 k( 86) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0024272 k( 87) = ( 0.3585859 0.5336116 -0.0000000), wk = 0.0024272 k( 88) = ( 0.3535354 0.5423593 -0.0000000), wk = 0.0024272 k( 89) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0024272 k( 90) = ( 0.3434343 0.5598548 -0.0000000), wk = 0.0024272 k( 91) = ( 0.3383838 0.5686025 -0.0000000), wk = 0.0024272 k( 92) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024272 k( 93) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024272 k( 94) = ( 0.3282051 0.5684680 -0.0000000), wk = 0.0024272 k( 95) = ( 0.3230769 0.5595856 -0.0000000), wk = 0.0024272 k( 96) = ( 0.3179487 0.5507033 -0.0000000), wk = 0.0024272 k( 97) = ( 0.3128205 0.5418210 -0.0000000), wk = 0.0024272 k( 98) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0024272 k( 99) = ( 0.3025641 0.5240564 -0.0000000), wk = 0.0024272 k( 100) = ( 0.2974359 0.5151741 -0.0000000), wk = 0.0024272 k( 101) = ( 0.2923077 0.5062918 -0.0000000), wk = 0.0024272 k( 102) = ( 0.2871795 0.4974095 -0.0000000), wk = 0.0024272 k( 103) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0024272 k( 104) = ( 0.2769231 0.4796448 -0.0000000), wk = 0.0024272 k( 105) = ( 0.2717949 0.4707625 -0.0000000), wk = 0.0024272 k( 106) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0024272 k( 107) = ( 0.2615385 0.4529979 -0.0000000), wk = 0.0024272 k( 108) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0024272 k( 109) = ( 0.2512820 0.4352333 -0.0000000), wk = 0.0024272 k( 110) = ( 0.2461539 0.4263510 -0.0000000), wk = 0.0024272 k( 111) = ( 0.2410256 0.4174687 -0.0000000), wk = 0.0024272 k( 112) = ( 0.2358974 0.4085864 -0.0000000), wk = 0.0024272 k( 113) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0024272 k( 114) = ( 0.2256410 0.3908217 -0.0000000), wk = 0.0024272 k( 115) = ( 0.2205128 0.3819394 -0.0000000), wk = 0.0024272 k( 116) = ( 0.2153846 0.3730571 -0.0000000), wk = 0.0024272 k( 117) = ( 0.2102564 0.3641748 -0.0000000), wk = 0.0024272 k( 118) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0024272 k( 119) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0024272 k( 120) = ( 0.1948718 0.3375278 -0.0000000), wk = 0.0024272 k( 121) = ( 0.1897436 0.3286455 -0.0000000), wk = 0.0024272 k( 122) = ( 0.1846154 0.3197632 -0.0000000), wk = 0.0024272 k( 123) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0024272 k( 124) = ( 0.1743590 0.3019986 -0.0000000), wk = 0.0024272 k( 125) = ( 0.1692308 0.2931163 -0.0000000), wk = 0.0024272 k( 126) = ( 0.1641026 0.2842340 -0.0000000), wk = 0.0024272 k( 127) = ( 0.1589744 0.2753517 -0.0000000), wk = 0.0024272 k( 128) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0024272 k( 129) = ( 0.1487179 0.2575870 -0.0000000), wk = 0.0024272 k( 130) = ( 0.1435897 0.2487047 -0.0000000), wk = 0.0024272 k( 131) = ( 0.1384615 0.2398224 -0.0000000), wk = 0.0024272 k( 132) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0024272 k( 133) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0024272 k( 134) = ( 0.1230769 0.2131755 -0.0000000), wk = 0.0024272 k( 135) = ( 0.1179487 0.2042932 -0.0000000), wk = 0.0024272 k( 136) = ( 0.1128205 0.1954109 -0.0000000), wk = 0.0024272 k( 137) = ( 0.1076923 0.1865286 -0.0000000), wk = 0.0024272 k( 138) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0024272 k( 139) = ( 0.0974359 0.1687639 -0.0000000), wk = 0.0024272 k( 140) = ( 0.0923077 0.1598816 -0.0000000), wk = 0.0024272 k( 141) = ( 0.0871795 0.1509993 -0.0000000), wk = 0.0024272 k( 142) = ( 0.0820513 0.1421170 -0.0000000), wk = 0.0024272 k( 143) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0024272 k( 144) = ( 0.0717949 0.1243524 -0.0000000), wk = 0.0024272 k( 145) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0024272 k( 146) = ( 0.0615385 0.1065877 -0.0000000), wk = 0.0024272 k( 147) = ( 0.0564103 0.0977054 -0.0000000), wk = 0.0024272 k( 148) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0024272 k( 149) = ( 0.0461539 0.0799408 -0.0000000), wk = 0.0024272 k( 150) = ( 0.0410256 0.0710585 -0.0000000), wk = 0.0024272 k( 151) = ( 0.0358974 0.0621762 -0.0000000), wk = 0.0024272 k( 152) = ( 0.0307692 0.0532939 -0.0000000), wk = 0.0024272 k( 153) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0024272 k( 154) = ( 0.0205128 0.0355292 -0.0000000), wk = 0.0024272 k( 155) = ( 0.0153846 0.0266469 -0.0000000), wk = 0.0024272 k( 156) = ( 0.0102564 0.0177646 -0.0000000), wk = 0.0024272 k( 157) = ( 0.0051282 0.0088823 -0.0000000), wk = 0.0024272 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.0101280), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.0202561), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.0303841), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.0405122), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.0506402), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.0607682), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.0708963), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.0810243), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.0911524), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.1012804), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.1114085), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.1215365), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.1316645), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.1417926), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.1519206), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.1620487), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.1721767), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.1823048), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.1924328), wk = 0.0024272 k( 179) = ( 0.0000000 0.0000000 0.2025608), wk = 0.0024272 k( 180) = ( 0.0000000 0.0000000 0.2126889), wk = 0.0024272 k( 181) = ( 0.0000000 0.0000000 0.2228169), wk = 0.0024272 k( 182) = ( 0.0000000 0.0000000 0.2329450), wk = 0.0024272 k( 183) = ( 0.0000000 0.0000000 0.2430730), wk = 0.0024272 k( 184) = ( 0.0000000 0.0000000 0.2532011), wk = 0.0024272 k( 185) = ( 0.0000000 0.0000000 0.2633291), wk = 0.0024272 k( 186) = ( 0.0000000 0.0000000 0.2734571), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.2835852), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.2937132), wk = 0.0024272 k( 189) = ( 0.0000000 0.0000000 0.3038413), wk = 0.0024272 k( 190) = ( 0.0000000 0.0000000 0.3139693), wk = 0.0024272 k( 191) = ( 0.0000000 0.0000000 0.3139693), wk = 0.0024272 k( 192) = ( 0.0087719 0.0050645 0.3139693), wk = 0.0024272 k( 193) = ( 0.0175439 0.0101290 0.3139693), wk = 0.0024272 k( 194) = ( 0.0263158 0.0151934 0.3139693), wk = 0.0024272 k( 195) = ( 0.0350877 0.0202579 0.3139693), wk = 0.0024272 k( 196) = ( 0.0438597 0.0253224 0.3139693), wk = 0.0024272 k( 197) = ( 0.0526316 0.0303869 0.3139693), wk = 0.0024272 k( 198) = ( 0.0614035 0.0354513 0.3139693), wk = 0.0024272 k( 199) = ( 0.0701754 0.0405158 0.3139693), wk = 0.0024272 k( 200) = ( 0.0789474 0.0455803 0.3139693), wk = 0.0024272 k( 201) = ( 0.0877193 0.0506448 0.3139693), wk = 0.0024272 k( 202) = ( 0.0964912 0.0557092 0.3139693), wk = 0.0024272 k( 203) = ( 0.1052632 0.0607737 0.3139693), wk = 0.0024272 k( 204) = ( 0.1140351 0.0658382 0.3139693), wk = 0.0024272 k( 205) = ( 0.1228070 0.0709027 0.3139693), wk = 0.0024272 k( 206) = ( 0.1315790 0.0759671 0.3139693), wk = 0.0024272 k( 207) = ( 0.1403509 0.0810316 0.3139693), wk = 0.0024272 k( 208) = ( 0.1491228 0.0860961 0.3139693), wk = 0.0024272 k( 209) = ( 0.1578947 0.0911606 0.3139693), wk = 0.0024272 k( 210) = ( 0.1666667 0.0962250 0.3139693), wk = 0.0024272 k( 211) = ( 0.1754386 0.1012895 0.3139693), wk = 0.0024272 k( 212) = ( 0.1842105 0.1063540 0.3139693), wk = 0.0024272 k( 213) = ( 0.1929825 0.1114185 0.3139693), wk = 0.0024272 k( 214) = ( 0.2017544 0.1164830 0.3139693), wk = 0.0024272 k( 215) = ( 0.2105263 0.1215474 0.3139693), wk = 0.0024272 k( 216) = ( 0.2192983 0.1266119 0.3139693), wk = 0.0024272 k( 217) = ( 0.2280702 0.1316764 0.3139693), wk = 0.0024272 k( 218) = ( 0.2368421 0.1367409 0.3139693), wk = 0.0024272 k( 219) = ( 0.2456140 0.1418053 0.3139693), wk = 0.0024272 k( 220) = ( 0.2543860 0.1468698 0.3139693), wk = 0.0024272 k( 221) = ( 0.2631579 0.1519343 0.3139693), wk = 0.0024272 k( 222) = ( 0.2719298 0.1569988 0.3139693), wk = 0.0024272 k( 223) = ( 0.2807018 0.1620632 0.3139693), wk = 0.0024272 k( 224) = ( 0.2894737 0.1671277 0.3139693), wk = 0.0024272 k( 225) = ( 0.2982456 0.1721922 0.3139693), wk = 0.0024272 k( 226) = ( 0.3070175 0.1772567 0.3139693), wk = 0.0024272 k( 227) = ( 0.3157895 0.1823211 0.3139693), wk = 0.0024272 k( 228) = ( 0.3245614 0.1873856 0.3139693), wk = 0.0024272 k( 229) = ( 0.3333333 0.1924501 0.3139693), wk = 0.0024272 k( 230) = ( 0.3421053 0.1975146 0.3139693), wk = 0.0024272 k( 231) = ( 0.3508772 0.2025790 0.3139693), wk = 0.0024272 k( 232) = ( 0.3596491 0.2076435 0.3139693), wk = 0.0024272 k( 233) = ( 0.3684211 0.2127080 0.3139693), wk = 0.0024272 k( 234) = ( 0.3771930 0.2177725 0.3139693), wk = 0.0024272 k( 235) = ( 0.3859649 0.2228369 0.3139693), wk = 0.0024272 k( 236) = ( 0.3947368 0.2279014 0.3139693), wk = 0.0024272 k( 237) = ( 0.4035088 0.2329659 0.3139693), wk = 0.0024272 k( 238) = ( 0.4122807 0.2380304 0.3139693), wk = 0.0024272 k( 239) = ( 0.4210526 0.2430948 0.3139693), wk = 0.0024272 k( 240) = ( 0.4298246 0.2481593 0.3139693), wk = 0.0024272 k( 241) = ( 0.4385965 0.2532238 0.3139693), wk = 0.0024272 k( 242) = ( 0.4473684 0.2582883 0.3139693), wk = 0.0024272 k( 243) = ( 0.4561404 0.2633528 0.3139693), wk = 0.0024272 k( 244) = ( 0.4649123 0.2684172 0.3139693), wk = 0.0024272 k( 245) = ( 0.4736842 0.2734817 0.3139693), wk = 0.0024272 k( 246) = ( 0.4824561 0.2785462 0.3139693), wk = 0.0024272 k( 247) = ( 0.4912281 0.2836107 0.3139693), wk = 0.0024272 k( 248) = ( 0.5000000 0.2886751 0.3139693), wk = 0.0024272 k( 249) = ( 0.5000000 0.2886751 0.3139693), wk = 0.0024272 k( 250) = ( 0.4949495 0.2974229 0.3139693), wk = 0.0024272 k( 251) = ( 0.4898990 0.3061706 0.3139693), wk = 0.0024272 k( 252) = ( 0.4848485 0.3149183 0.3139693), wk = 0.0024272 k( 253) = ( 0.4797980 0.3236661 0.3139693), wk = 0.0024272 k( 254) = ( 0.4747475 0.3324138 0.3139693), wk = 0.0024272 k( 255) = ( 0.4696970 0.3411615 0.3139693), wk = 0.0024272 k( 256) = ( 0.4646465 0.3499093 0.3139693), wk = 0.0024272 k( 257) = ( 0.4595960 0.3586570 0.3139693), wk = 0.0024272 k( 258) = ( 0.4545455 0.3674047 0.3139693), wk = 0.0024272 k( 259) = ( 0.4494950 0.3761524 0.3139693), wk = 0.0024272 k( 260) = ( 0.4444444 0.3849002 0.3139693), wk = 0.0024272 k( 261) = ( 0.4393939 0.3936479 0.3139693), wk = 0.0024272 k( 262) = ( 0.4343434 0.4023956 0.3139693), wk = 0.0024272 k( 263) = ( 0.4292929 0.4111434 0.3139693), wk = 0.0024272 k( 264) = ( 0.4242424 0.4198911 0.3139693), wk = 0.0024272 k( 265) = ( 0.4191919 0.4286388 0.3139693), wk = 0.0024272 k( 266) = ( 0.4141414 0.4373866 0.3139693), wk = 0.0024272 k( 267) = ( 0.4090909 0.4461343 0.3139693), wk = 0.0024272 k( 268) = ( 0.4040404 0.4548820 0.3139693), wk = 0.0024272 k( 269) = ( 0.3989899 0.4636298 0.3139693), wk = 0.0024272 k( 270) = ( 0.3939394 0.4723775 0.3139693), wk = 0.0024272 k( 271) = ( 0.3888889 0.4811252 0.3139693), wk = 0.0024272 k( 272) = ( 0.3838384 0.4898730 0.3139693), wk = 0.0024272 k( 273) = ( 0.3787879 0.4986207 0.3139693), wk = 0.0024272 k( 274) = ( 0.3737374 0.5073684 0.3139693), wk = 0.0024272 k( 275) = ( 0.3686869 0.5161161 0.3139693), wk = 0.0024272 k( 276) = ( 0.3636364 0.5248639 0.3139693), wk = 0.0024272 k( 277) = ( 0.3585859 0.5336116 0.3139693), wk = 0.0024272 k( 278) = ( 0.3535354 0.5423593 0.3139693), wk = 0.0024272 k( 279) = ( 0.3484849 0.5511071 0.3139693), wk = 0.0024272 k( 280) = ( 0.3434343 0.5598548 0.3139693), wk = 0.0024272 k( 281) = ( 0.3383838 0.5686025 0.3139693), wk = 0.0024272 k( 282) = ( 0.3333333 0.5773503 0.3139693), wk = 0.0024272 k( 283) = ( 0.3333333 0.5773503 0.3139693), wk = 0.0024272 k( 284) = ( 0.3282051 0.5684680 0.3139693), wk = 0.0024272 k( 285) = ( 0.3230769 0.5595856 0.3139693), wk = 0.0024272 k( 286) = ( 0.3179487 0.5507033 0.3139693), wk = 0.0024272 k( 287) = ( 0.3128205 0.5418210 0.3139693), wk = 0.0024272 k( 288) = ( 0.3076923 0.5329387 0.3139693), wk = 0.0024272 k( 289) = ( 0.3025641 0.5240564 0.3139693), wk = 0.0024272 k( 290) = ( 0.2974359 0.5151741 0.3139693), wk = 0.0024272 k( 291) = ( 0.2923077 0.5062918 0.3139693), wk = 0.0024272 k( 292) = ( 0.2871795 0.4974095 0.3139693), wk = 0.0024272 k( 293) = ( 0.2820513 0.4885271 0.3139693), wk = 0.0024272 k( 294) = ( 0.2769231 0.4796448 0.3139693), wk = 0.0024272 k( 295) = ( 0.2717949 0.4707625 0.3139693), wk = 0.0024272 k( 296) = ( 0.2666667 0.4618802 0.3139693), wk = 0.0024272 k( 297) = ( 0.2615385 0.4529979 0.3139693), wk = 0.0024272 k( 298) = ( 0.2564103 0.4441156 0.3139693), wk = 0.0024272 k( 299) = ( 0.2512820 0.4352333 0.3139693), wk = 0.0024272 k( 300) = ( 0.2461539 0.4263510 0.3139693), wk = 0.0024272 k( 301) = ( 0.2410256 0.4174687 0.3139693), wk = 0.0024272 k( 302) = ( 0.2358974 0.4085864 0.3139693), wk = 0.0024272 k( 303) = ( 0.2307692 0.3997040 0.3139693), wk = 0.0024272 k( 304) = ( 0.2256410 0.3908217 0.3139693), wk = 0.0024272 k( 305) = ( 0.2205128 0.3819394 0.3139693), wk = 0.0024272 k( 306) = ( 0.2153846 0.3730571 0.3139693), wk = 0.0024272 k( 307) = ( 0.2102564 0.3641748 0.3139693), wk = 0.0024272 k( 308) = ( 0.2051282 0.3552925 0.3139693), wk = 0.0024272 k( 309) = ( 0.2000000 0.3464102 0.3139693), wk = 0.0024272 k( 310) = ( 0.1948718 0.3375278 0.3139693), wk = 0.0024272 k( 311) = ( 0.1897436 0.3286455 0.3139693), wk = 0.0024272 k( 312) = ( 0.1846154 0.3197632 0.3139693), wk = 0.0024272 k( 313) = ( 0.1794872 0.3108809 0.3139693), wk = 0.0024272 k( 314) = ( 0.1743590 0.3019986 0.3139693), wk = 0.0024272 k( 315) = ( 0.1692308 0.2931163 0.3139693), wk = 0.0024272 k( 316) = ( 0.1641026 0.2842340 0.3139693), wk = 0.0024272 k( 317) = ( 0.1589744 0.2753517 0.3139693), wk = 0.0024272 k( 318) = ( 0.1538461 0.2664693 0.3139693), wk = 0.0024272 k( 319) = ( 0.1487179 0.2575870 0.3139693), wk = 0.0024272 k( 320) = ( 0.1435897 0.2487047 0.3139693), wk = 0.0024272 k( 321) = ( 0.1384615 0.2398224 0.3139693), wk = 0.0024272 k( 322) = ( 0.1333333 0.2309401 0.3139693), wk = 0.0024272 k( 323) = ( 0.1282051 0.2220578 0.3139693), wk = 0.0024272 k( 324) = ( 0.1230769 0.2131755 0.3139693), wk = 0.0024272 k( 325) = ( 0.1179487 0.2042932 0.3139693), wk = 0.0024272 k( 326) = ( 0.1128205 0.1954109 0.3139693), wk = 0.0024272 k( 327) = ( 0.1076923 0.1865286 0.3139693), wk = 0.0024272 k( 328) = ( 0.1025641 0.1776462 0.3139693), wk = 0.0024272 k( 329) = ( 0.0974359 0.1687639 0.3139693), wk = 0.0024272 k( 330) = ( 0.0923077 0.1598816 0.3139693), wk = 0.0024272 k( 331) = ( 0.0871795 0.1509993 0.3139693), wk = 0.0024272 k( 332) = ( 0.0820513 0.1421170 0.3139693), wk = 0.0024272 k( 333) = ( 0.0769231 0.1332347 0.3139693), wk = 0.0024272 k( 334) = ( 0.0717949 0.1243524 0.3139693), wk = 0.0024272 k( 335) = ( 0.0666667 0.1154701 0.3139693), wk = 0.0024272 k( 336) = ( 0.0615385 0.1065877 0.3139693), wk = 0.0024272 k( 337) = ( 0.0564103 0.0977054 0.3139693), wk = 0.0024272 k( 338) = ( 0.0512821 0.0888231 0.3139693), wk = 0.0024272 k( 339) = ( 0.0461539 0.0799408 0.3139693), wk = 0.0024272 k( 340) = ( 0.0410256 0.0710585 0.3139693), wk = 0.0024272 k( 341) = ( 0.0358974 0.0621762 0.3139693), wk = 0.0024272 k( 342) = ( 0.0307692 0.0532939 0.3139693), wk = 0.0024272 k( 343) = ( 0.0256410 0.0444116 0.3139693), wk = 0.0024272 k( 344) = ( 0.0205128 0.0355292 0.3139693), wk = 0.0024272 k( 345) = ( 0.0153846 0.0266469 0.3139693), wk = 0.0024272 k( 346) = ( 0.0102564 0.0177646 0.3139693), wk = 0.0024272 k( 347) = ( 0.0051282 0.0088823 0.3139693), wk = 0.0024272 k( 348) = ( 0.0000000 0.0000000 0.3139693), wk = 0.0024272 k( 349) = ( 0.5000000 0.2886751 0.3139693), wk = 0.0024272 k( 350) = ( 0.5000000 0.2886751 0.3038413), wk = 0.0024272 k( 351) = ( 0.5000000 0.2886751 0.2937132), wk = 0.0024272 k( 352) = ( 0.5000000 0.2886751 0.2835852), wk = 0.0024272 k( 353) = ( 0.5000000 0.2886751 0.2734571), wk = 0.0024272 k( 354) = ( 0.5000000 0.2886751 0.2633291), wk = 0.0024272 k( 355) = ( 0.5000000 0.2886751 0.2532011), wk = 0.0024272 k( 356) = ( 0.5000000 0.2886751 0.2430730), wk = 0.0024272 k( 357) = ( 0.5000000 0.2886751 0.2329450), wk = 0.0024272 k( 358) = ( 0.5000000 0.2886751 0.2228169), wk = 0.0024272 k( 359) = ( 0.5000000 0.2886751 0.2126889), wk = 0.0024272 k( 360) = ( 0.5000000 0.2886751 0.2025608), wk = 0.0024272 k( 361) = ( 0.5000000 0.2886751 0.1924328), wk = 0.0024272 k( 362) = ( 0.5000000 0.2886751 0.1823048), wk = 0.0024272 k( 363) = ( 0.5000000 0.2886751 0.1721767), wk = 0.0024272 k( 364) = ( 0.5000000 0.2886751 0.1620487), wk = 0.0024272 k( 365) = ( 0.5000000 0.2886751 0.1519206), wk = 0.0024272 k( 366) = ( 0.5000000 0.2886751 0.1417926), wk = 0.0024272 k( 367) = ( 0.5000000 0.2886751 0.1316645), wk = 0.0024272 k( 368) = ( 0.5000000 0.2886751 0.1215365), wk = 0.0024272 k( 369) = ( 0.5000000 0.2886751 0.1114085), wk = 0.0024272 k( 370) = ( 0.5000000 0.2886751 0.1012804), wk = 0.0024272 k( 371) = ( 0.5000000 0.2886751 0.0911524), wk = 0.0024272 k( 372) = ( 0.5000000 0.2886751 0.0810243), wk = 0.0024272 k( 373) = ( 0.5000000 0.2886751 0.0708963), wk = 0.0024272 k( 374) = ( 0.5000000 0.2886751 0.0607682), wk = 0.0024272 k( 375) = ( 0.5000000 0.2886751 0.0506402), wk = 0.0024272 k( 376) = ( 0.5000000 0.2886751 0.0405122), wk = 0.0024272 k( 377) = ( 0.5000000 0.2886751 0.0303841), wk = 0.0024272 k( 378) = ( 0.5000000 0.2886751 0.0202561), wk = 0.0024272 k( 379) = ( 0.5000000 0.2886751 0.0101280), wk = 0.0024272 k( 380) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024272 k( 381) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024272 k( 382) = ( 0.3333333 0.5773503 0.0101280), wk = 0.0024272 k( 383) = ( 0.3333333 0.5773503 0.0202561), wk = 0.0024272 k( 384) = ( 0.3333333 0.5773503 0.0303841), wk = 0.0024272 k( 385) = ( 0.3333333 0.5773503 0.0405122), wk = 0.0024272 k( 386) = ( 0.3333333 0.5773503 0.0506402), wk = 0.0024272 k( 387) = ( 0.3333333 0.5773503 0.0607682), wk = 0.0024272 k( 388) = ( 0.3333333 0.5773503 0.0708963), wk = 0.0024272 k( 389) = ( 0.3333333 0.5773503 0.0810243), wk = 0.0024272 k( 390) = ( 0.3333333 0.5773503 0.0911524), wk = 0.0024272 k( 391) = ( 0.3333333 0.5773503 0.1012804), wk = 0.0024272 k( 392) = ( 0.3333333 0.5773503 0.1114085), wk = 0.0024272 k( 393) = ( 0.3333333 0.5773503 0.1215365), wk = 0.0024272 k( 394) = ( 0.3333333 0.5773503 0.1316645), wk = 0.0024272 k( 395) = ( 0.3333333 0.5773503 0.1417926), wk = 0.0024272 k( 396) = ( 0.3333333 0.5773503 0.1519206), wk = 0.0024272 k( 397) = ( 0.3333333 0.5773503 0.1620487), wk = 0.0024272 k( 398) = ( 0.3333333 0.5773503 0.1721767), wk = 0.0024272 k( 399) = ( 0.3333333 0.5773503 0.1823048), wk = 0.0024272 k( 400) = ( 0.3333333 0.5773503 0.1924328), wk = 0.0024272 k( 401) = ( 0.3333333 0.5773503 0.2025608), wk = 0.0024272 k( 402) = ( 0.3333333 0.5773503 0.2126889), wk = 0.0024272 k( 403) = ( 0.3333333 0.5773503 0.2228169), wk = 0.0024272 k( 404) = ( 0.3333333 0.5773503 0.2329450), wk = 0.0024272 k( 405) = ( 0.3333333 0.5773503 0.2430730), wk = 0.0024272 k( 406) = ( 0.3333333 0.5773503 0.2532011), wk = 0.0024272 k( 407) = ( 0.3333333 0.5773503 0.2633291), wk = 0.0024272 k( 408) = ( 0.3333333 0.5773503 0.2734571), wk = 0.0024272 k( 409) = ( 0.3333333 0.5773503 0.2835852), wk = 0.0024272 k( 410) = ( 0.3333333 0.5773503 0.2937132), wk = 0.0024272 k( 411) = ( 0.3333333 0.5773503 0.3038413), wk = 0.0024272 k( 412) = ( 0.3333333 0.5773503 0.3139693), wk = 0.0024272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0087719 0.0000000 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0175439 0.0000000 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0024272 k( 5) = ( 0.0350877 0.0000000 -0.0000000), wk = 0.0024272 k( 6) = ( 0.0438597 -0.0000000 -0.0000000), wk = 0.0024272 k( 7) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0024272 k( 8) = ( 0.0614035 -0.0000000 -0.0000000), wk = 0.0024272 k( 9) = ( 0.0701754 0.0000000 -0.0000000), wk = 0.0024272 k( 10) = ( 0.0789474 0.0000000 -0.0000000), wk = 0.0024272 k( 11) = ( 0.0877193 -0.0000000 -0.0000000), wk = 0.0024272 k( 12) = ( 0.0964912 0.0000000 -0.0000000), wk = 0.0024272 k( 13) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0024272 k( 14) = ( 0.1140351 -0.0000000 -0.0000000), wk = 0.0024272 k( 15) = ( 0.1228070 -0.0000000 -0.0000000), wk = 0.0024272 k( 16) = ( 0.1315790 0.0000000 -0.0000000), wk = 0.0024272 k( 17) = ( 0.1403509 0.0000000 -0.0000000), wk = 0.0024272 k( 18) = ( 0.1491228 0.0000000 -0.0000000), wk = 0.0024272 k( 19) = ( 0.1578947 0.0000000 -0.0000000), wk = 0.0024272 k( 20) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0024272 k( 21) = ( 0.1754386 -0.0000000 -0.0000000), wk = 0.0024272 k( 22) = ( 0.1842105 -0.0000000 -0.0000000), wk = 0.0024272 k( 23) = ( 0.1929825 0.0000000 -0.0000000), wk = 0.0024272 k( 24) = ( 0.2017544 0.0000000 -0.0000000), wk = 0.0024272 k( 25) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0024272 k( 26) = ( 0.2192983 0.0000000 -0.0000000), wk = 0.0024272 k( 27) = ( 0.2280702 -0.0000000 -0.0000000), wk = 0.0024272 k( 28) = ( 0.2368421 -0.0000000 -0.0000000), wk = 0.0024272 k( 29) = ( 0.2456140 -0.0000000 -0.0000000), wk = 0.0024272 k( 30) = ( 0.2543860 0.0000000 -0.0000000), wk = 0.0024272 k( 31) = ( 0.2631579 0.0000000 -0.0000000), wk = 0.0024272 k( 32) = ( 0.2719298 0.0000000 0.0000000), wk = 0.0024272 k( 33) = ( 0.2807018 0.0000000 0.0000000), wk = 0.0024272 k( 34) = ( 0.2894737 0.0000000 -0.0000000), wk = 0.0024272 k( 35) = ( 0.2982456 -0.0000000 -0.0000000), wk = 0.0024272 k( 36) = ( 0.3070175 -0.0000000 -0.0000000), wk = 0.0024272 k( 37) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0024272 k( 38) = ( 0.3245614 -0.0000000 -0.0000000), wk = 0.0024272 k( 39) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0024272 k( 40) = ( 0.3421053 0.0000000 -0.0000000), wk = 0.0024272 k( 41) = ( 0.3508772 0.0000000 -0.0000000), wk = 0.0024272 k( 42) = ( 0.3596491 -0.0000000 -0.0000000), wk = 0.0024272 k( 43) = ( 0.3684211 -0.0000000 -0.0000000), wk = 0.0024272 k( 44) = ( 0.3771930 0.0000000 -0.0000000), wk = 0.0024272 k( 45) = ( 0.3859649 0.0000000 0.0000000), wk = 0.0024272 k( 46) = ( 0.3947368 0.0000000 -0.0000000), wk = 0.0024272 k( 47) = ( 0.4035088 0.0000000 -0.0000000), wk = 0.0024272 k( 48) = ( 0.4122807 -0.0000000 -0.0000000), wk = 0.0024272 k( 49) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0024272 k( 50) = ( 0.4298246 -0.0000000 -0.0000000), wk = 0.0024272 k( 51) = ( 0.4385965 0.0000000 0.0000000), wk = 0.0024272 k( 52) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0024272 k( 53) = ( 0.4561404 0.0000000 -0.0000000), wk = 0.0024272 k( 54) = ( 0.4649123 0.0000000 -0.0000000), wk = 0.0024272 k( 55) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0024272 k( 56) = ( 0.4824561 0.0000000 -0.0000000), wk = 0.0024272 k( 57) = ( 0.4912281 -0.0000000 -0.0000000), wk = 0.0024272 k( 58) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024272 k( 59) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024272 k( 60) = ( 0.4949495 0.0101010 -0.0000000), wk = 0.0024272 k( 61) = ( 0.4898990 0.0202020 -0.0000000), wk = 0.0024272 k( 62) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0024272 k( 63) = ( 0.4797980 0.0404040 -0.0000000), wk = 0.0024272 k( 64) = ( 0.4747475 0.0505051 -0.0000000), wk = 0.0024272 k( 65) = ( 0.4696970 0.0606061 -0.0000000), wk = 0.0024272 k( 66) = ( 0.4646465 0.0707071 -0.0000000), wk = 0.0024272 k( 67) = ( 0.4595960 0.0808081 -0.0000000), wk = 0.0024272 k( 68) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0024272 k( 69) = ( 0.4494950 0.1010101 -0.0000000), wk = 0.0024272 k( 70) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0024272 k( 71) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0024272 k( 72) = ( 0.4343434 0.1313131 -0.0000000), wk = 0.0024272 k( 73) = ( 0.4292929 0.1414141 -0.0000000), wk = 0.0024272 k( 74) = ( 0.4242424 0.1515152 0.0000000), wk = 0.0024272 k( 75) = ( 0.4191919 0.1616162 -0.0000000), wk = 0.0024272 k( 76) = ( 0.4141414 0.1717172 -0.0000000), wk = 0.0024272 k( 77) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0024272 k( 78) = ( 0.4040404 0.1919192 -0.0000000), wk = 0.0024272 k( 79) = ( 0.3989899 0.2020202 -0.0000000), wk = 0.0024272 k( 80) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0024272 k( 81) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0024272 k( 82) = ( 0.3838384 0.2323232 0.0000000), wk = 0.0024272 k( 83) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0024272 k( 84) = ( 0.3737374 0.2525252 -0.0000000), wk = 0.0024272 k( 85) = ( 0.3686869 0.2626263 -0.0000000), wk = 0.0024272 k( 86) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0024272 k( 87) = ( 0.3585859 0.2828283 -0.0000000), wk = 0.0024272 k( 88) = ( 0.3535354 0.2929293 -0.0000000), wk = 0.0024272 k( 89) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0024272 k( 90) = ( 0.3434343 0.3131313 -0.0000000), wk = 0.0024272 k( 91) = ( 0.3383838 0.3232323 0.0000000), wk = 0.0024272 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024272 k( 93) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024272 k( 94) = ( 0.3282051 0.3282051 -0.0000000), wk = 0.0024272 k( 95) = ( 0.3230769 0.3230769 -0.0000000), wk = 0.0024272 k( 96) = ( 0.3179487 0.3179487 0.0000000), wk = 0.0024272 k( 97) = ( 0.3128205 0.3128205 0.0000000), wk = 0.0024272 k( 98) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0024272 k( 99) = ( 0.3025641 0.3025641 -0.0000000), wk = 0.0024272 k( 100) = ( 0.2974359 0.2974359 0.0000000), wk = 0.0024272 k( 101) = ( 0.2923077 0.2923077 -0.0000000), wk = 0.0024272 k( 102) = ( 0.2871795 0.2871795 0.0000000), wk = 0.0024272 k( 103) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0024272 k( 104) = ( 0.2769231 0.2769231 -0.0000000), wk = 0.0024272 k( 105) = ( 0.2717949 0.2717949 -0.0000000), wk = 0.0024272 k( 106) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024272 k( 107) = ( 0.2615385 0.2615385 -0.0000000), wk = 0.0024272 k( 108) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0024272 k( 109) = ( 0.2512820 0.2512821 -0.0000000), wk = 0.0024272 k( 110) = ( 0.2461539 0.2461539 -0.0000000), wk = 0.0024272 k( 111) = ( 0.2410256 0.2410256 -0.0000000), wk = 0.0024272 k( 112) = ( 0.2358974 0.2358974 -0.0000000), wk = 0.0024272 k( 113) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0024272 k( 114) = ( 0.2256410 0.2256410 -0.0000000), wk = 0.0024272 k( 115) = ( 0.2205128 0.2205128 -0.0000000), wk = 0.0024272 k( 116) = ( 0.2153846 0.2153846 -0.0000000), wk = 0.0024272 k( 117) = ( 0.2102564 0.2102564 0.0000000), wk = 0.0024272 k( 118) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0024272 k( 119) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0024272 k( 120) = ( 0.1948718 0.1948718 -0.0000000), wk = 0.0024272 k( 121) = ( 0.1897436 0.1897436 -0.0000000), wk = 0.0024272 k( 122) = ( 0.1846154 0.1846154 -0.0000000), wk = 0.0024272 k( 123) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0024272 k( 124) = ( 0.1743590 0.1743590 -0.0000000), wk = 0.0024272 k( 125) = ( 0.1692308 0.1692308 0.0000000), wk = 0.0024272 k( 126) = ( 0.1641026 0.1641026 0.0000000), wk = 0.0024272 k( 127) = ( 0.1589744 0.1589744 0.0000000), wk = 0.0024272 k( 128) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0024272 k( 129) = ( 0.1487179 0.1487180 0.0000000), wk = 0.0024272 k( 130) = ( 0.1435897 0.1435897 -0.0000000), wk = 0.0024272 k( 131) = ( 0.1384615 0.1384615 -0.0000000), wk = 0.0024272 k( 132) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0024272 k( 133) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0024272 k( 134) = ( 0.1230769 0.1230769 -0.0000000), wk = 0.0024272 k( 135) = ( 0.1179487 0.1179487 -0.0000000), wk = 0.0024272 k( 136) = ( 0.1128205 0.1128205 -0.0000000), wk = 0.0024272 k( 137) = ( 0.1076923 0.1076923 -0.0000000), wk = 0.0024272 k( 138) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0024272 k( 139) = ( 0.0974359 0.0974359 0.0000000), wk = 0.0024272 k( 140) = ( 0.0923077 0.0923077 -0.0000000), wk = 0.0024272 k( 141) = ( 0.0871795 0.0871795 -0.0000000), wk = 0.0024272 k( 142) = ( 0.0820513 0.0820513 0.0000000), wk = 0.0024272 k( 143) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0024272 k( 144) = ( 0.0717949 0.0717949 -0.0000000), wk = 0.0024272 k( 145) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0024272 k( 146) = ( 0.0615385 0.0615385 -0.0000000), wk = 0.0024272 k( 147) = ( 0.0564103 0.0564103 -0.0000000), wk = 0.0024272 k( 148) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0024272 k( 149) = ( 0.0461539 0.0461539 -0.0000000), wk = 0.0024272 k( 150) = ( 0.0410256 0.0410256 0.0000000), wk = 0.0024272 k( 151) = ( 0.0358974 0.0358974 -0.0000000), wk = 0.0024272 k( 152) = ( 0.0307692 0.0307692 -0.0000000), wk = 0.0024272 k( 153) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0024272 k( 154) = ( 0.0205128 0.0205128 0.0000000), wk = 0.0024272 k( 155) = ( 0.0153846 0.0153846 -0.0000000), wk = 0.0024272 k( 156) = ( 0.0102564 0.0102564 0.0000000), wk = 0.0024272 k( 157) = ( 0.0051282 0.0051282 0.0000000), wk = 0.0024272 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0024272 k( 179) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0024272 k( 180) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0024272 k( 181) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0024272 k( 182) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0024272 k( 183) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0024272 k( 184) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0024272 k( 185) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0024272 k( 186) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0024272 k( 189) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0024272 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 192) = ( 0.0087719 0.0000000 0.5000000), wk = 0.0024272 k( 193) = ( 0.0175439 0.0000000 0.5000000), wk = 0.0024272 k( 194) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0024272 k( 195) = ( 0.0350877 0.0000000 0.5000000), wk = 0.0024272 k( 196) = ( 0.0438597 -0.0000000 0.5000000), wk = 0.0024272 k( 197) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0024272 k( 198) = ( 0.0614035 -0.0000000 0.5000000), wk = 0.0024272 k( 199) = ( 0.0701754 0.0000000 0.5000000), wk = 0.0024272 k( 200) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0024272 k( 201) = ( 0.0877193 -0.0000000 0.5000000), wk = 0.0024272 k( 202) = ( 0.0964912 0.0000000 0.5000000), wk = 0.0024272 k( 203) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0024272 k( 204) = ( 0.1140351 -0.0000000 0.5000000), wk = 0.0024272 k( 205) = ( 0.1228070 -0.0000000 0.5000000), wk = 0.0024272 k( 206) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0024272 k( 207) = ( 0.1403509 0.0000000 0.5000000), wk = 0.0024272 k( 208) = ( 0.1491228 0.0000000 0.5000000), wk = 0.0024272 k( 209) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0024272 k( 210) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0024272 k( 211) = ( 0.1754386 -0.0000000 0.5000000), wk = 0.0024272 k( 212) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0024272 k( 213) = ( 0.1929825 0.0000000 0.5000000), wk = 0.0024272 k( 214) = ( 0.2017544 0.0000000 0.5000000), wk = 0.0024272 k( 215) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0024272 k( 216) = ( 0.2192983 0.0000000 0.5000000), wk = 0.0024272 k( 217) = ( 0.2280702 -0.0000000 0.5000000), wk = 0.0024272 k( 218) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0024272 k( 219) = ( 0.2456140 -0.0000000 0.5000000), wk = 0.0024272 k( 220) = ( 0.2543860 0.0000000 0.5000000), wk = 0.0024272 k( 221) = ( 0.2631579 0.0000000 0.5000000), wk = 0.0024272 k( 222) = ( 0.2719298 0.0000000 0.5000000), wk = 0.0024272 k( 223) = ( 0.2807018 0.0000000 0.5000000), wk = 0.0024272 k( 224) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0024272 k( 225) = ( 0.2982456 -0.0000000 0.5000000), wk = 0.0024272 k( 226) = ( 0.3070175 -0.0000000 0.5000000), wk = 0.0024272 k( 227) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0024272 k( 228) = ( 0.3245614 -0.0000000 0.5000000), wk = 0.0024272 k( 229) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0024272 k( 230) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0024272 k( 231) = ( 0.3508772 0.0000000 0.5000000), wk = 0.0024272 k( 232) = ( 0.3596491 -0.0000000 0.5000000), wk = 0.0024272 k( 233) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0024272 k( 234) = ( 0.3771930 0.0000000 0.5000000), wk = 0.0024272 k( 235) = ( 0.3859649 0.0000000 0.5000000), wk = 0.0024272 k( 236) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0024272 k( 237) = ( 0.4035088 0.0000000 0.5000000), wk = 0.0024272 k( 238) = ( 0.4122807 -0.0000000 0.5000000), wk = 0.0024272 k( 239) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0024272 k( 240) = ( 0.4298246 -0.0000000 0.5000000), wk = 0.0024272 k( 241) = ( 0.4385965 0.0000000 0.5000000), wk = 0.0024272 k( 242) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0024272 k( 243) = ( 0.4561404 0.0000000 0.5000000), wk = 0.0024272 k( 244) = ( 0.4649123 0.0000000 0.5000000), wk = 0.0024272 k( 245) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0024272 k( 246) = ( 0.4824561 0.0000000 0.5000000), wk = 0.0024272 k( 247) = ( 0.4912281 -0.0000000 0.5000000), wk = 0.0024272 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 249) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 250) = ( 0.4949495 0.0101010 0.5000000), wk = 0.0024272 k( 251) = ( 0.4898990 0.0202020 0.5000000), wk = 0.0024272 k( 252) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0024272 k( 253) = ( 0.4797980 0.0404040 0.5000000), wk = 0.0024272 k( 254) = ( 0.4747475 0.0505051 0.5000000), wk = 0.0024272 k( 255) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0024272 k( 256) = ( 0.4646465 0.0707071 0.5000000), wk = 0.0024272 k( 257) = ( 0.4595960 0.0808081 0.5000000), wk = 0.0024272 k( 258) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0024272 k( 259) = ( 0.4494950 0.1010101 0.5000000), wk = 0.0024272 k( 260) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0024272 k( 261) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0024272 k( 262) = ( 0.4343434 0.1313131 0.5000000), wk = 0.0024272 k( 263) = ( 0.4292929 0.1414141 0.5000000), wk = 0.0024272 k( 264) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0024272 k( 265) = ( 0.4191919 0.1616162 0.5000000), wk = 0.0024272 k( 266) = ( 0.4141414 0.1717172 0.5000000), wk = 0.0024272 k( 267) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0024272 k( 268) = ( 0.4040404 0.1919192 0.5000000), wk = 0.0024272 k( 269) = ( 0.3989899 0.2020202 0.5000000), wk = 0.0024272 k( 270) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0024272 k( 271) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0024272 k( 272) = ( 0.3838384 0.2323232 0.5000000), wk = 0.0024272 k( 273) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0024272 k( 274) = ( 0.3737374 0.2525252 0.5000000), wk = 0.0024272 k( 275) = ( 0.3686869 0.2626263 0.5000000), wk = 0.0024272 k( 276) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0024272 k( 277) = ( 0.3585859 0.2828283 0.5000000), wk = 0.0024272 k( 278) = ( 0.3535354 0.2929293 0.5000000), wk = 0.0024272 k( 279) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0024272 k( 280) = ( 0.3434343 0.3131313 0.5000000), wk = 0.0024272 k( 281) = ( 0.3383838 0.3232323 0.5000000), wk = 0.0024272 k( 282) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024272 k( 283) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024272 k( 284) = ( 0.3282051 0.3282051 0.5000000), wk = 0.0024272 k( 285) = ( 0.3230769 0.3230769 0.5000000), wk = 0.0024272 k( 286) = ( 0.3179487 0.3179487 0.5000000), wk = 0.0024272 k( 287) = ( 0.3128205 0.3128205 0.5000000), wk = 0.0024272 k( 288) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0024272 k( 289) = ( 0.3025641 0.3025641 0.5000000), wk = 0.0024272 k( 290) = ( 0.2974359 0.2974359 0.5000000), wk = 0.0024272 k( 291) = ( 0.2923077 0.2923077 0.5000000), wk = 0.0024272 k( 292) = ( 0.2871795 0.2871795 0.5000000), wk = 0.0024272 k( 293) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0024272 k( 294) = ( 0.2769231 0.2769231 0.5000000), wk = 0.0024272 k( 295) = ( 0.2717949 0.2717949 0.5000000), wk = 0.0024272 k( 296) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0024272 k( 297) = ( 0.2615385 0.2615385 0.5000000), wk = 0.0024272 k( 298) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0024272 k( 299) = ( 0.2512820 0.2512821 0.5000000), wk = 0.0024272 k( 300) = ( 0.2461539 0.2461539 0.5000000), wk = 0.0024272 k( 301) = ( 0.2410256 0.2410256 0.5000000), wk = 0.0024272 k( 302) = ( 0.2358974 0.2358974 0.5000000), wk = 0.0024272 k( 303) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0024272 k( 304) = ( 0.2256410 0.2256410 0.5000000), wk = 0.0024272 k( 305) = ( 0.2205128 0.2205128 0.5000000), wk = 0.0024272 k( 306) = ( 0.2153846 0.2153846 0.5000000), wk = 0.0024272 k( 307) = ( 0.2102564 0.2102564 0.5000000), wk = 0.0024272 k( 308) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0024272 k( 309) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0024272 k( 310) = ( 0.1948718 0.1948718 0.5000000), wk = 0.0024272 k( 311) = ( 0.1897436 0.1897436 0.5000000), wk = 0.0024272 k( 312) = ( 0.1846154 0.1846154 0.5000000), wk = 0.0024272 k( 313) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0024272 k( 314) = ( 0.1743590 0.1743590 0.5000000), wk = 0.0024272 k( 315) = ( 0.1692308 0.1692308 0.5000000), wk = 0.0024272 k( 316) = ( 0.1641026 0.1641026 0.5000000), wk = 0.0024272 k( 317) = ( 0.1589744 0.1589744 0.5000000), wk = 0.0024272 k( 318) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0024272 k( 319) = ( 0.1487179 0.1487180 0.5000000), wk = 0.0024272 k( 320) = ( 0.1435897 0.1435897 0.5000000), wk = 0.0024272 k( 321) = ( 0.1384615 0.1384615 0.5000000), wk = 0.0024272 k( 322) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0024272 k( 323) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0024272 k( 324) = ( 0.1230769 0.1230769 0.5000000), wk = 0.0024272 k( 325) = ( 0.1179487 0.1179487 0.5000000), wk = 0.0024272 k( 326) = ( 0.1128205 0.1128205 0.5000000), wk = 0.0024272 k( 327) = ( 0.1076923 0.1076923 0.5000000), wk = 0.0024272 k( 328) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0024272 k( 329) = ( 0.0974359 0.0974359 0.5000000), wk = 0.0024272 k( 330) = ( 0.0923077 0.0923077 0.5000000), wk = 0.0024272 k( 331) = ( 0.0871795 0.0871795 0.5000000), wk = 0.0024272 k( 332) = ( 0.0820513 0.0820513 0.5000000), wk = 0.0024272 k( 333) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0024272 k( 334) = ( 0.0717949 0.0717949 0.5000000), wk = 0.0024272 k( 335) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0024272 k( 336) = ( 0.0615385 0.0615385 0.5000000), wk = 0.0024272 k( 337) = ( 0.0564103 0.0564103 0.5000000), wk = 0.0024272 k( 338) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0024272 k( 339) = ( 0.0461539 0.0461539 0.5000000), wk = 0.0024272 k( 340) = ( 0.0410256 0.0410256 0.5000000), wk = 0.0024272 k( 341) = ( 0.0358974 0.0358974 0.5000000), wk = 0.0024272 k( 342) = ( 0.0307692 0.0307692 0.5000000), wk = 0.0024272 k( 343) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0024272 k( 344) = ( 0.0205128 0.0205128 0.5000000), wk = 0.0024272 k( 345) = ( 0.0153846 0.0153846 0.5000000), wk = 0.0024272 k( 346) = ( 0.0102564 0.0102564 0.5000000), wk = 0.0024272 k( 347) = ( 0.0051282 0.0051282 0.5000000), wk = 0.0024272 k( 348) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 349) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 350) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0024272 k( 351) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0024272 k( 352) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0024272 k( 353) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0024272 k( 354) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0024272 k( 355) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0024272 k( 356) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0024272 k( 357) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0024272 k( 358) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0024272 k( 359) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0024272 k( 360) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0024272 k( 361) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0024272 k( 362) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0024272 k( 363) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0024272 k( 364) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0024272 k( 365) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0024272 k( 366) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0024272 k( 367) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0024272 k( 368) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0024272 k( 369) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0024272 k( 370) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0024272 k( 371) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0024272 k( 372) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0024272 k( 373) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0024272 k( 374) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0024272 k( 375) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0024272 k( 376) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0024272 k( 377) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0024272 k( 378) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0024272 k( 379) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0024272 k( 380) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024272 k( 381) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024272 k( 382) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0024272 k( 383) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0024272 k( 384) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0024272 k( 385) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0024272 k( 386) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0024272 k( 387) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0024272 k( 388) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0024272 k( 389) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0024272 k( 390) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0024272 k( 391) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0024272 k( 392) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0024272 k( 393) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0024272 k( 394) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0024272 k( 395) = ( 0.3333333 0.3333333 0.2258065), wk = 0.0024272 k( 396) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0024272 k( 397) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0024272 k( 398) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0024272 k( 399) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0024272 k( 400) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0024272 k( 401) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0024272 k( 402) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0024272 k( 403) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0024272 k( 404) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0024272 k( 405) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0024272 k( 406) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0024272 k( 407) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0024272 k( 408) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0024272 k( 409) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0024272 k( 410) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0024272 k( 411) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0024272 k( 412) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024272 Dense grid: 15025 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 114, 16) NL pseudopotentials 0.03 Mb ( 57, 32) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.00 Mb ( 423) G-vector shells 0.00 Mb ( 205) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 114, 64) Each subspace H/S matrix 0.00 Mb ( 16, 16) Each matrix 0.02 Mb ( 32, 2, 16) The potential is recalculated from file : ./Zr.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.6 secs Computing kpt #: 5 total cpu time spent up to now is 1.7 secs Computing kpt #: 6 total cpu time spent up to now is 1.8 secs Computing kpt #: 7 total cpu time spent up to now is 1.9 secs Computing kpt #: 8 total cpu time spent up to now is 2.0 secs Computing kpt #: 9 total cpu time spent up to now is 2.1 secs Computing kpt #: 10 total cpu time spent up to now is 2.2 secs Computing kpt #: 11 total cpu time spent up to now is 2.3 secs Computing kpt #: 12 total cpu time spent up to now is 2.4 secs Computing kpt #: 13 total cpu time spent up to now is 2.6 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3.0 secs Computing kpt #: 15 total cpu time spent up to now is 3.3 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.7 secs Computing kpt #: 18 total cpu time spent up to now is 4.0 secs Computing kpt #: 19 total cpu time spent up to now is 4.1 secs Computing kpt #: 20 total cpu time spent up to now is 4.3 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.6 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.8 secs Computing kpt #: 25 total cpu time spent up to now is 4.9 secs Computing kpt #: 26 total cpu time spent up to now is 5.0 secs Computing kpt #: 27 total cpu time spent up to now is 5.1 secs Computing kpt #: 28 total cpu time spent up to now is 5.2 secs Computing kpt #: 29 total cpu time spent up to now is 5.4 secs Computing kpt #: 30 total cpu time spent up to now is 5.5 secs Computing kpt #: 31 total cpu time spent up to now is 5.6 secs Computing kpt #: 32 total cpu time spent up to now is 5.8 secs Computing kpt #: 33 total cpu time spent up to now is 6.0 secs Computing kpt #: 34 total cpu time spent up to now is 6.1 secs Computing kpt #: 35 total cpu time spent up to now is 6.3 secs Computing kpt #: 36 total cpu time spent up to now is 6.5 secs Computing kpt #: 37 total cpu time spent up to now is 6.7 secs Computing kpt #: 38 total cpu time spent up to now is 6.9 secs Computing kpt #: 39 total cpu time spent up to now is 7.1 secs Computing kpt #: 40 total cpu time spent up to now is 7.4 secs Computing kpt #: 41 total cpu time spent up to now is 7.6 secs Computing kpt #: 42 total cpu time spent up to now is 7.9 secs Computing kpt #: 43 total cpu time spent up to now is 8.8 secs Computing kpt #: 44 total cpu time spent up to now is 9.0 secs Computing kpt #: 45 total cpu time spent up to now is 9.1 secs Computing kpt #: 46 total cpu time spent up to now is 9.3 secs Computing kpt #: 47 total cpu time spent up to now is 9.4 secs Computing kpt #: 48 total cpu time spent up to now is 9.5 secs Computing kpt #: 49 total cpu time spent up to now is 9.7 secs Computing kpt #: 50 total cpu time spent up to now is 9.8 secs Computing kpt #: 51 total cpu time spent up to now is 9.9 secs Computing kpt #: 52 total cpu time spent up to now is 10.0 secs Computing kpt #: 53 total cpu time spent up to now is 10.1 secs Computing kpt #: 54 total cpu time spent up to now is 10.2 secs Computing kpt #: 55 total cpu time spent up to now is 10.3 secs Computing kpt #: 56 total cpu time spent up to now is 10.4 secs Computing kpt #: 57 total cpu time spent up to now is 10.5 secs Computing kpt #: 58 total cpu time spent up to now is 10.6 secs Computing kpt #: 59 total cpu time spent up to now is 10.7 secs Computing kpt #: 60 total cpu time spent up to now is 10.8 secs Computing kpt #: 61 total cpu time spent up to now is 10.9 secs Computing kpt #: 62 total cpu time spent up to now is 11.0 secs Computing kpt #: 63 total cpu time spent up to now is 11.1 secs Computing kpt #: 64 total cpu time spent up to now is 11.2 secs Computing kpt #: 65 total cpu time spent up to now is 11.3 secs Computing kpt #: 66 total cpu time spent up to now is 11.5 secs Computing kpt #: 67 total cpu time spent up to now is 11.7 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.1 secs Computing kpt #: 69 total cpu time spent up to now is 12.4 secs Computing kpt #: 70 total cpu time spent up to now is 12.5 secs Computing kpt #: 71 total cpu time spent up to now is 12.7 secs Computing kpt #: 72 total cpu time spent up to now is 12.8 secs Computing kpt #: 73 total cpu time spent up to now is 12.9 secs Computing kpt #: 74 total cpu time spent up to now is 13.0 secs Computing kpt #: 75 total cpu time spent up to now is 13.2 secs Computing kpt #: 76 total cpu time spent up to now is 13.3 secs Computing kpt #: 77 total cpu time spent up to now is 13.4 secs Computing kpt #: 78 total cpu time spent up to now is 13.5 secs Computing kpt #: 79 total cpu time spent up to now is 13.6 secs Computing kpt #: 80 total cpu time spent up to now is 13.7 secs Computing kpt #: 81 total cpu time spent up to now is 13.7 secs Computing kpt #: 82 total cpu time spent up to now is 13.8 secs Computing kpt #: 83 total cpu time spent up to now is 13.9 secs Computing kpt #: 84 total cpu time spent up to now is 14.0 secs Computing kpt #: 85 total cpu time spent up to now is 14.1 secs Computing kpt #: 86 total cpu time spent up to now is 14.3 secs Computing kpt #: 87 total cpu time spent up to now is 14.4 secs Computing kpt #: 88 total cpu time spent up to now is 14.5 secs Computing kpt #: 89 total cpu time spent up to now is 14.5 secs Computing kpt #: 90 total cpu time spent up to now is 14.6 secs Computing kpt #: 91 total cpu time spent up to now is 14.8 secs Computing kpt #: 92 total cpu time spent up to now is 15.0 secs Computing kpt #: 93 total cpu time spent up to now is 15.1 secs Computing kpt #: 94 total cpu time spent up to now is 15.3 secs Computing kpt #: 95 total cpu time spent up to now is 15.4 secs Computing kpt #: 96 total cpu time spent up to now is 15.5 secs Computing kpt #: 97 total cpu time spent up to now is 15.6 secs Computing kpt #: 98 total cpu time spent up to now is 15.7 secs Computing kpt #: 99 total cpu time spent up to now is 15.8 secs Computing kpt #: 100 total cpu time spent up to now is 15.9 secs Computing kpt #: 101 total cpu time spent up to now is 16.0 secs Computing kpt #: 102 total cpu time spent up to now is 16.0 secs Computing kpt #: 103 total cpu time spent up to now is 16.1 secs Computing kpt #: 104 total cpu time spent up to now is 16.2 secs Computing kpt #: 105 total cpu time spent up to now is 16.3 secs Computing kpt #: 106 total cpu time spent up to now is 16.4 secs Computing kpt #: 107 total cpu time spent up to now is 16.5 secs Computing kpt #: 108 total cpu time spent up to now is 16.5 secs Computing kpt #: 109 total cpu time spent up to now is 16.6 secs Computing kpt #: 110 total cpu time spent up to now is 16.7 secs Computing kpt #: 111 total cpu time spent up to now is 16.8 secs Computing kpt #: 112 total cpu time spent up to now is 16.9 secs Computing kpt #: 113 total cpu time spent up to now is 16.9 secs Computing kpt #: 114 total cpu time spent up to now is 17.0 secs Computing kpt #: 115 total cpu time spent up to now is 17.1 secs Computing kpt #: 116 total cpu time spent up to now is 17.2 secs Computing kpt #: 117 total cpu time spent up to now is 17.3 secs Computing kpt #: 118 total cpu time spent up to now is 17.4 secs Computing kpt #: 119 total cpu time spent up to now is 17.5 secs Computing kpt #: 120 total cpu time spent up to now is 17.5 secs Computing kpt #: 121 total cpu time spent up to now is 17.6 secs Computing kpt #: 122 total cpu time spent up to now is 17.7 secs Computing kpt #: 123 total cpu time spent up to now is 17.8 secs Computing kpt #: 124 total cpu time spent up to now is 17.9 secs Computing kpt #: 125 total cpu time spent up to now is 18.0 secs Computing kpt #: 126 total cpu time spent up to now is 18.0 secs Computing kpt #: 127 total cpu time spent up to now is 18.1 secs Computing kpt #: 128 total cpu time spent up to now is 18.2 secs Computing kpt #: 129 total cpu time spent up to now is 18.3 secs Computing kpt #: 130 total cpu time spent up to now is 18.4 secs Computing kpt #: 131 total cpu time spent up to now is 18.5 secs Computing kpt #: 132 total cpu time spent up to now is 18.6 secs Computing kpt #: 133 total cpu time spent up to now is 18.7 secs Computing kpt #: 134 total cpu time spent up to now is 18.9 secs Computing kpt #: 135 total cpu time spent up to now is 19.1 secs Computing kpt #: 136 total cpu time spent up to now is 19.2 secs Computing kpt #: 137 total cpu time spent up to now is 19.5 secs Computing kpt #: 138 total cpu time spent up to now is 19.7 secs Computing kpt #: 139 total cpu time spent up to now is 19.9 secs Computing kpt #: 140 total cpu time spent up to now is 20.0 secs Computing kpt #: 141 total cpu time spent up to now is 20.2 secs Computing kpt #: 142 total cpu time spent up to now is 20.3 secs Computing kpt #: 143 total cpu time spent up to now is 20.5 secs Computing kpt #: 144 total cpu time spent up to now is 20.6 secs Computing kpt #: 145 total cpu time spent up to now is 20.7 secs Computing kpt #: 146 total cpu time spent up to now is 20.8 secs Computing kpt #: 147 total cpu time spent up to now is 21.0 secs Computing kpt #: 148 total cpu time spent up to now is 21.1 secs Computing kpt #: 149 total cpu time spent up to now is 21.3 secs Computing kpt #: 150 total cpu time spent up to now is 21.4 secs Computing kpt #: 151 total cpu time spent up to now is 21.5 secs Computing kpt #: 152 total cpu time spent up to now is 21.6 secs Computing kpt #: 153 total cpu time spent up to now is 21.7 secs Computing kpt #: 154 total cpu time spent up to now is 21.8 secs Computing kpt #: 155 total cpu time spent up to now is 21.9 secs Computing kpt #: 156 total cpu time spent up to now is 22.0 secs Computing kpt #: 157 total cpu time spent up to now is 22.1 secs Computing kpt #: 158 total cpu time spent up to now is 22.1 secs Computing kpt #: 159 total cpu time spent up to now is 22.2 secs Computing kpt #: 160 total cpu time spent up to now is 22.3 secs Computing kpt #: 161 total cpu time spent up to now is 22.4 secs Computing kpt #: 162 total cpu time spent up to now is 22.5 secs Computing kpt #: 163 total cpu time spent up to now is 22.6 secs Computing kpt #: 164 total cpu time spent up to now is 22.7 secs Computing kpt #: 165 total cpu time spent up to now is 22.8 secs Computing kpt #: 166 total cpu time spent up to now is 22.9 secs Computing kpt #: 167 total cpu time spent up to now is 23.0 secs Computing kpt #: 168 total cpu time spent up to now is 23.1 secs Computing kpt #: 169 total cpu time spent up to now is 23.2 secs Computing kpt #: 170 total cpu time spent up to now is 23.3 secs Computing kpt #: 171 total cpu time spent up to now is 23.3 secs Computing kpt #: 172 total cpu time spent up to now is 23.4 secs Computing kpt #: 173 total cpu time spent up to now is 23.5 secs Computing kpt #: 174 total cpu time spent up to now is 23.6 secs Computing kpt #: 175 total cpu time spent up to now is 23.7 secs Computing kpt #: 176 total cpu time spent up to now is 23.7 secs Computing kpt #: 177 total cpu time spent up to now is 23.8 secs Computing kpt #: 178 total cpu time spent up to now is 23.9 secs Computing kpt #: 179 total cpu time spent up to now is 24.0 secs Computing kpt #: 180 total cpu time spent up to now is 24.1 secs Computing kpt #: 181 total cpu time spent up to now is 24.1 secs Computing kpt #: 182 total cpu time spent up to now is 24.2 secs Computing kpt #: 183 total cpu time spent up to now is 24.3 secs Computing kpt #: 184 total cpu time spent up to now is 24.4 secs Computing kpt #: 185 total cpu time spent up to now is 24.4 secs Computing kpt #: 186 total cpu time spent up to now is 24.5 secs Computing kpt #: 187 total cpu time spent up to now is 24.6 secs Computing kpt #: 188 total cpu time spent up to now is 24.7 secs Computing kpt #: 189 total cpu time spent up to now is 24.7 secs Computing kpt #: 190 total cpu time spent up to now is 24.8 secs Computing kpt #: 191 total cpu time spent up to now is 24.9 secs Computing kpt #: 192 total cpu time spent up to now is 24.9 secs Computing kpt #: 193 total cpu time spent up to now is 25.0 secs Computing kpt #: 194 total cpu time spent up to now is 25.1 secs Computing kpt #: 195 total cpu time spent up to now is 25.2 secs Computing kpt #: 196 total cpu time spent up to now is 25.2 secs Computing kpt #: 197 total cpu time spent up to now is 25.3 secs Computing kpt #: 198 total cpu time spent up to now is 25.4 secs Computing kpt #: 199 total cpu time spent up to now is 25.5 secs Computing kpt #: 200 total cpu time spent up to now is 25.5 secs Computing kpt #: 201 total cpu time spent up to now is 25.6 secs Computing kpt #: 202 total cpu time spent up to now is 25.7 secs Computing kpt #: 203 total cpu time spent up to now is 25.8 secs Computing kpt #: 204 total cpu time spent up to now is 25.9 secs Computing kpt #: 205 total cpu time spent up to now is 25.9 secs Computing kpt #: 206 total cpu time spent up to now is 26.0 secs Computing kpt #: 207 total cpu time spent up to now is 26.1 secs Computing kpt #: 208 total cpu time spent up to now is 26.2 secs Computing kpt #: 209 total cpu time spent up to now is 26.2 secs Computing kpt #: 210 total cpu time spent up to now is 26.3 secs Computing kpt #: 211 total cpu time spent up to now is 26.4 secs Computing kpt #: 212 total cpu time spent up to now is 26.5 secs Computing kpt #: 213 total cpu time spent up to now is 26.5 secs Computing kpt #: 214 total cpu time spent up to now is 26.6 secs Computing kpt #: 215 total cpu time spent up to now is 26.7 secs Computing kpt #: 216 total cpu time spent up to now is 26.8 secs Computing kpt #: 217 total cpu time spent up to now is 26.9 secs Computing kpt #: 218 total cpu time spent up to now is 26.9 secs Computing kpt #: 219 total cpu time spent up to now is 27.0 secs Computing kpt #: 220 total cpu time spent up to now is 27.1 secs Computing kpt #: 221 total cpu time spent up to now is 27.2 secs Computing kpt #: 222 total cpu time spent up to now is 27.3 secs Computing kpt #: 223 total cpu time spent up to now is 27.4 secs Computing kpt #: 224 total cpu time spent up to now is 27.4 secs Computing kpt #: 225 total cpu time spent up to now is 27.5 secs Computing kpt #: 226 total cpu time spent up to now is 27.6 secs Computing kpt #: 227 total cpu time spent up to now is 27.7 secs Computing kpt #: 228 total cpu time spent up to now is 27.8 secs Computing kpt #: 229 total cpu time spent up to now is 27.9 secs Computing kpt #: 230 total cpu time spent up to now is 28.0 secs Computing kpt #: 231 total cpu time spent up to now is 28.1 secs Computing kpt #: 232 total cpu time spent up to now is 28.2 secs Computing kpt #: 233 total cpu time spent up to now is 28.3 secs Computing kpt #: 234 total cpu time spent up to now is 28.4 secs Computing kpt #: 235 total cpu time spent up to now is 28.5 secs Computing kpt #: 236 total cpu time spent up to now is 28.6 secs Computing kpt #: 237 total cpu time spent up to now is 28.6 secs Computing kpt #: 238 total cpu time spent up to now is 28.7 secs Computing kpt #: 239 total cpu time spent up to now is 28.8 secs Computing kpt #: 240 total cpu time spent up to now is 28.9 secs Computing kpt #: 241 total cpu time spent up to now is 29.0 secs Computing kpt #: 242 total cpu time spent up to now is 29.1 secs Computing kpt #: 243 total cpu time spent up to now is 29.2 secs Computing kpt #: 244 total cpu time spent up to now is 29.3 secs Computing kpt #: 245 total cpu time spent up to now is 29.4 secs Computing kpt #: 246 total cpu time spent up to now is 29.5 secs Computing kpt #: 247 total cpu time spent up to now is 29.5 secs Computing kpt #: 248 total cpu time spent up to now is 29.6 secs Computing kpt #: 249 total cpu time spent up to now is 29.7 secs Computing kpt #: 250 total cpu time spent up to now is 29.8 secs Computing kpt #: 251 total cpu time spent up to now is 29.9 secs Computing kpt #: 252 total cpu time spent up to now is 30.0 secs Computing kpt #: 253 total cpu time spent up to now is 30.1 secs Computing kpt #: 254 total cpu time spent up to now is 30.2 secs Computing kpt #: 255 total cpu time spent up to now is 30.3 secs Computing kpt #: 256 total cpu time spent up to now is 30.4 secs Computing kpt #: 257 total cpu time spent up to now is 30.4 secs Computing kpt #: 258 total cpu time spent up to now is 30.5 secs Computing kpt #: 259 total cpu time spent up to now is 30.6 secs Computing kpt #: 260 total cpu time spent up to now is 30.7 secs Computing kpt #: 261 total cpu time spent up to now is 30.8 secs Computing kpt #: 262 total cpu time spent up to now is 30.9 secs Computing kpt #: 263 total cpu time spent up to now is 31.0 secs Computing kpt #: 264 total cpu time spent up to now is 31.1 secs Computing kpt #: 265 total cpu time spent up to now is 31.2 secs Computing kpt #: 266 total cpu time spent up to now is 31.3 secs Computing kpt #: 267 total cpu time spent up to now is 31.4 secs Computing kpt #: 268 total cpu time spent up to now is 31.4 secs Computing kpt #: 269 total cpu time spent up to now is 31.5 secs Computing kpt #: 270 total cpu time spent up to now is 31.6 secs Computing kpt #: 271 total cpu time spent up to now is 31.7 secs Computing kpt #: 272 total cpu time spent up to now is 31.8 secs Computing kpt #: 273 total cpu time spent up to now is 31.9 secs Computing kpt #: 274 total cpu time spent up to now is 31.9 secs Computing kpt #: 275 total cpu time spent up to now is 32.0 secs Computing kpt #: 276 total cpu time spent up to now is 32.1 secs Computing kpt #: 277 total cpu time spent up to now is 32.2 secs Computing kpt #: 278 total cpu time spent up to now is 32.3 secs Computing kpt #: 279 total cpu time spent up to now is 32.3 secs Computing kpt #: 280 total cpu time spent up to now is 32.4 secs Computing kpt #: 281 total cpu time spent up to now is 32.5 secs Computing kpt #: 282 total cpu time spent up to now is 32.6 secs Computing kpt #: 283 total cpu time spent up to now is 32.6 secs Computing kpt #: 284 total cpu time spent up to now is 32.7 secs Computing kpt #: 285 total cpu time spent up to now is 32.8 secs Computing kpt #: 286 total cpu time spent up to now is 32.9 secs Computing kpt #: 287 total cpu time spent up to now is 33.0 secs Computing kpt #: 288 total cpu time spent up to now is 33.0 secs Computing kpt #: 289 total cpu time spent up to now is 33.1 secs Computing kpt #: 290 total cpu time spent up to now is 33.2 secs Computing kpt #: 291 total cpu time spent up to now is 33.3 secs Computing kpt #: 292 total cpu time spent up to now is 33.3 secs Computing kpt #: 293 total cpu time spent up to now is 33.4 secs Computing kpt #: 294 total cpu time spent up to now is 33.5 secs Computing kpt #: 295 total cpu time spent up to now is 33.6 secs Computing kpt #: 296 total cpu time spent up to now is 33.7 secs Computing kpt #: 297 total cpu time spent up to now is 33.7 secs Computing kpt #: 298 total cpu time spent up to now is 33.8 secs Computing kpt #: 299 total cpu time spent up to now is 33.9 secs Computing kpt #: 300 total cpu time spent up to now is 34.0 secs Computing kpt #: 301 total cpu time spent up to now is 34.1 secs Computing kpt #: 302 total cpu time spent up to now is 34.1 secs Computing kpt #: 303 total cpu time spent up to now is 34.2 secs Computing kpt #: 304 total cpu time spent up to now is 34.3 secs Computing kpt #: 305 total cpu time spent up to now is 34.4 secs Computing kpt #: 306 total cpu time spent up to now is 34.4 secs Computing kpt #: 307 total cpu time spent up to now is 34.5 secs Computing kpt #: 308 total cpu time spent up to now is 34.6 secs Computing kpt #: 309 total cpu time spent up to now is 34.7 secs Computing kpt #: 310 total cpu time spent up to now is 34.8 secs Computing kpt #: 311 total cpu time spent up to now is 34.8 secs Computing kpt #: 312 total cpu time spent up to now is 34.9 secs Computing kpt #: 313 total cpu time spent up to now is 35.0 secs Computing kpt #: 314 total cpu time spent up to now is 35.1 secs Computing kpt #: 315 total cpu time spent up to now is 35.1 secs Computing kpt #: 316 total cpu time spent up to now is 35.2 secs Computing kpt #: 317 total cpu time spent up to now is 35.3 secs Computing kpt #: 318 total cpu time spent up to now is 35.4 secs Computing kpt #: 319 total cpu time spent up to now is 35.4 secs Computing kpt #: 320 total cpu time spent up to now is 35.5 secs Computing kpt #: 321 total cpu time spent up to now is 35.6 secs Computing kpt #: 322 total cpu time spent up to now is 35.7 secs Computing kpt #: 323 total cpu time spent up to now is 35.8 secs Computing kpt #: 324 total cpu time spent up to now is 35.8 secs Computing kpt #: 325 total cpu time spent up to now is 35.9 secs Computing kpt #: 326 total cpu time spent up to now is 36.0 secs Computing kpt #: 327 total cpu time spent up to now is 36.1 secs Computing kpt #: 328 total cpu time spent up to now is 36.2 secs Computing kpt #: 329 total cpu time spent up to now is 36.2 secs Computing kpt #: 330 total cpu time spent up to now is 36.3 secs Computing kpt #: 331 total cpu time spent up to now is 36.4 secs Computing kpt #: 332 total cpu time spent up to now is 36.5 secs Computing kpt #: 333 total cpu time spent up to now is 36.6 secs Computing kpt #: 334 total cpu time spent up to now is 36.6 secs Computing kpt #: 335 total cpu time spent up to now is 36.7 secs Computing kpt #: 336 total cpu time spent up to now is 36.8 secs Computing kpt #: 337 total cpu time spent up to now is 36.9 secs Computing kpt #: 338 total cpu time spent up to now is 37.0 secs Computing kpt #: 339 total cpu time spent up to now is 37.0 secs Computing kpt #: 340 total cpu time spent up to now is 37.1 secs Computing kpt #: 341 total cpu time spent up to now is 37.2 secs Computing kpt #: 342 total cpu time spent up to now is 37.3 secs Computing kpt #: 343 total cpu time spent up to now is 37.3 secs Computing kpt #: 344 total cpu time spent up to now is 37.4 secs Computing kpt #: 345 total cpu time spent up to now is 37.5 secs Computing kpt #: 346 total cpu time spent up to now is 37.6 secs Computing kpt #: 347 total cpu time spent up to now is 37.6 secs Computing kpt #: 348 total cpu time spent up to now is 37.7 secs Computing kpt #: 349 total cpu time spent up to now is 37.8 secs Computing kpt #: 350 total cpu time spent up to now is 37.9 secs Computing kpt #: 351 total cpu time spent up to now is 38.0 secs Computing kpt #: 352 total cpu time spent up to now is 38.1 secs Computing kpt #: 353 total cpu time spent up to now is 38.2 secs Computing kpt #: 354 total cpu time spent up to now is 38.2 secs Computing kpt #: 355 total cpu time spent up to now is 38.3 secs Computing kpt #: 356 total cpu time spent up to now is 38.4 secs Computing kpt #: 357 total cpu time spent up to now is 38.5 secs Computing kpt #: 358 total cpu time spent up to now is 38.6 secs Computing kpt #: 359 total cpu time spent up to now is 38.7 secs Computing kpt #: 360 total cpu time spent up to now is 38.8 secs Computing kpt #: 361 total cpu time spent up to now is 38.9 secs Computing kpt #: 362 total cpu time spent up to now is 39.0 secs Computing kpt #: 363 total cpu time spent up to now is 39.1 secs Computing kpt #: 364 total cpu time spent up to now is 39.2 secs Computing kpt #: 365 total cpu time spent up to now is 39.3 secs Computing kpt #: 366 total cpu time spent up to now is 39.4 secs Computing kpt #: 367 total cpu time spent up to now is 39.5 secs Computing kpt #: 368 total cpu time spent up to now is 39.6 secs Computing kpt #: 369 total cpu time spent up to now is 39.8 secs Computing kpt #: 370 total cpu time spent up to now is 39.9 secs Computing kpt #: 371 total cpu time spent up to now is 40.1 secs Computing kpt #: 372 total cpu time spent up to now is 40.2 secs Computing kpt #: 373 total cpu time spent up to now is 40.4 secs Computing kpt #: 374 total cpu time spent up to now is 40.5 secs Computing kpt #: 375 total cpu time spent up to now is 40.6 secs Computing kpt #: 376 total cpu time spent up to now is 40.7 secs Computing kpt #: 377 total cpu time spent up to now is 40.8 secs Computing kpt #: 378 total cpu time spent up to now is 40.9 secs Computing kpt #: 379 total cpu time spent up to now is 41.0 secs Computing kpt #: 380 total cpu time spent up to now is 41.1 secs Computing kpt #: 381 total cpu time spent up to now is 41.2 secs Computing kpt #: 382 total cpu time spent up to now is 41.4 secs Computing kpt #: 383 total cpu time spent up to now is 41.6 secs Computing kpt #: 384 total cpu time spent up to now is 41.7 secs Computing kpt #: 385 total cpu time spent up to now is 41.9 secs Computing kpt #: 386 total cpu time spent up to now is 42.0 secs Computing kpt #: 387 total cpu time spent up to now is 42.2 secs Computing kpt #: 388 total cpu time spent up to now is 42.3 secs Computing kpt #: 389 total cpu time spent up to now is 42.5 secs Computing kpt #: 390 total cpu time spent up to now is 42.6 secs Computing kpt #: 391 total cpu time spent up to now is 42.7 secs Computing kpt #: 392 total cpu time spent up to now is 42.8 secs Computing kpt #: 393 total cpu time spent up to now is 42.9 secs Computing kpt #: 394 total cpu time spent up to now is 43.0 secs Computing kpt #: 395 total cpu time spent up to now is 43.1 secs Computing kpt #: 396 total cpu time spent up to now is 43.1 secs Computing kpt #: 397 total cpu time spent up to now is 43.2 secs Computing kpt #: 398 total cpu time spent up to now is 43.3 secs Computing kpt #: 399 total cpu time spent up to now is 43.4 secs Computing kpt #: 400 total cpu time spent up to now is 43.5 secs Computing kpt #: 401 total cpu time spent up to now is 43.5 secs Computing kpt #: 402 total cpu time spent up to now is 43.6 secs Computing kpt #: 403 total cpu time spent up to now is 43.7 secs Computing kpt #: 404 total cpu time spent up to now is 43.8 secs Computing kpt #: 405 total cpu time spent up to now is 43.9 secs Computing kpt #: 406 total cpu time spent up to now is 43.9 secs Computing kpt #: 407 total cpu time spent up to now is 44.0 secs Computing kpt #: 408 total cpu time spent up to now is 44.1 secs Computing kpt #: 409 total cpu time spent up to now is 44.2 secs Computing kpt #: 410 total cpu time spent up to now is 44.2 secs Computing kpt #: 411 total cpu time spent up to now is 44.3 secs Computing kpt #: 412 total cpu time spent up to now is 44.4 secs ethr = 1.25E-07, avg # of iterations = 20.2 total cpu time spent up to now is 44.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1833 PWs) bands (ev): 2.5561 2.5561 5.3654 5.3654 9.1951 9.1951 9.2946 9.2946 9.3991 9.3991 9.4546 9.4546 9.8872 9.8872 10.0019 10.0019 k = 0.0088 0.0051-0.0000 ( 1829 PWs) bands (ev): 2.5582 2.5582 5.3673 5.3673 9.1902 9.1902 9.2874 9.2874 9.4122 9.4122 9.4500 9.4500 9.8872 9.8872 10.0020 10.0020 k = 0.0175 0.0101-0.0000 ( 1833 PWs) bands (ev): 2.5646 2.5646 5.3732 5.3732 9.1733 9.1733 9.2777 9.2777 9.4363 9.4363 9.4420 9.4420 9.8869 9.8869 10.0027 10.0027 k = 0.0263 0.0152-0.0000 ( 1835 PWs) bands (ev): 2.5752 2.5752 5.3831 5.3831 9.1429 9.1429 9.2774 9.2774 9.4136 9.4136 9.4781 9.4781 9.8853 9.8853 10.0050 10.0050 k = 0.0351 0.0203-0.0000 ( 1839 PWs) bands (ev): 2.5900 2.5900 5.3968 5.3968 9.1029 9.1029 9.2863 9.2863 9.3822 9.3822 9.5166 9.5166 9.8808 9.8809 10.0105 10.0105 k = 0.0439 0.0253-0.0000 ( 1847 PWs) bands (ev): 2.6090 2.6090 5.4143 5.4143 9.0573 9.0573 9.3021 9.3021 9.3425 9.3425 9.5560 9.5560 9.8725 9.8725 10.0205 10.0205 k = 0.0526 0.0304-0.0000 ( 1848 PWs) bands (ev): 2.6321 2.6321 5.4356 5.4356 9.0082 9.0082 9.2950 9.2950 9.3234 9.3234 9.5956 9.5956 9.8600 9.8600 10.0358 10.0358 k = 0.0614 0.0355-0.0000 ( 1848 PWs) bands (ev): 2.6594 2.6594 5.4606 5.4606 8.9564 8.9564 9.2402 9.2402 9.3494 9.3494 9.6348 9.6348 9.8440 9.8440 10.0564 10.0564 k = 0.0702 0.0405-0.0000 ( 1846 PWs) bands (ev): 2.6907 2.6907 5.4891 5.4891 8.9026 8.9026 9.1789 9.1789 9.3799 9.3799 9.6718 9.6718 9.8266 9.8266 10.0818 10.0818 k = 0.0789 0.0456-0.0000 ( 1852 PWs) bands (ev): 2.7261 2.7261 5.5210 5.5210 8.8470 8.8470 9.1118 9.1118 9.4147 9.4147 9.7016 9.7016 9.8133 9.8133 10.1116 10.1116 k = 0.0877 0.0506-0.0000 ( 1852 PWs) bands (ev): 2.7654 2.7654 5.5562 5.5562 8.7899 8.7899 9.0395 9.0395 9.4537 9.4537 9.7118 9.7118 9.8174 9.8174 10.1452 10.1452 k = 0.0965 0.0557-0.0000 ( 1858 PWs) bands (ev): 2.8086 2.8086 5.5945 5.5945 8.7316 8.7316 8.9628 8.9628 9.4968 9.4968 9.6970 9.6970 9.8445 9.8445 10.1817 10.1817 k = 0.1053 0.0608-0.0000 ( 1858 PWs) bands (ev): 2.8556 2.8556 5.6357 5.6357 8.6723 8.6723 8.8825 8.8825 9.5437 9.5437 9.6693 9.6693 9.8831 9.8831 10.2178 10.2178 k = 0.1140 0.0658-0.0000 ( 1858 PWs) bands (ev): 2.9064 2.9064 5.6796 5.6796 8.6123 8.6123 8.7992 8.7992 9.5935 9.5935 9.6370 9.6370 9.9260 9.9260 10.2332 10.2338 k = 0.1228 0.0709-0.0000 ( 1854 PWs) bands (ev): 2.9607 2.9607 5.7259 5.7259 8.5518 8.5518 8.7135 8.7135 9.5963 9.5963 9.6524 9.6524 9.9701 9.9701 10.2056 10.2059 k = 0.1316 0.0760-0.0000 ( 1850 PWs) bands (ev): 3.0187 3.0187 5.7742 5.7742 8.4912 8.4912 8.6260 8.6260 9.5584 9.5584 9.7102 9.7102 10.0116 10.0116 10.1783 10.1785 k = 0.1404 0.0810-0.0000 ( 1850 PWs) bands (ev): 3.0800 3.0800 5.8244 5.8244 8.4305 8.4305 8.5374 8.5374 9.5185 9.5185 9.7727 9.7727 10.0408 10.0408 10.1541 10.1542 k = 0.1491 0.0861-0.0000 ( 1858 PWs) bands (ev): 3.1446 3.1446 5.8758 5.8758 8.3701 8.3701 8.4481 8.4481 9.4777 9.4777 9.8387 9.8387 10.0411 10.0411 10.1193 10.1193 k = 0.1579 0.0912-0.0000 ( 1858 PWs) bands (ev): 3.2124 3.2124 5.9282 5.9282 8.3098 8.3098 8.3592 8.3592 9.4366 9.4366 9.9075 9.9075 10.0178 10.0178 10.0821 10.0821 k = 0.1667 0.0962-0.0000 ( 1856 PWs) bands (ev): 3.2832 3.2832 5.9810 5.9810 8.2465 8.2465 8.2744 8.2744 9.3957 9.3957 9.9637 9.9637 10.0004 10.0004 10.0451 10.0451 k = 0.1754 0.1013-0.0000 ( 1860 PWs) bands (ev): 3.3569 3.3569 6.0337 6.0337 8.1688 8.1688 8.2060 8.2060 9.3555 9.3555 9.9381 9.9381 10.0072 10.0072 10.0652 10.0652 k = 0.1842 0.1064-0.0000 ( 1860 PWs) bands (ev): 3.4334 3.4334 6.0855 6.0855 8.0818 8.0818 8.1496 8.1496 9.3165 9.3165 9.8982 9.8982 9.9708 9.9708 10.1446 10.1446 k = 0.1930 0.1114-0.0000 ( 1864 PWs) bands (ev): 3.5123 3.5123 6.1359 6.1359 7.9936 7.9936 8.0978 8.0978 9.2790 9.2790 9.8561 9.8561 9.9345 9.9345 10.2284 10.2284 k = 0.2018 0.1165-0.0000 ( 1864 PWs) bands (ev): 3.5936 3.5936 6.1841 6.1841 7.9058 7.9058 8.0497 8.0497 9.2437 9.2437 9.8133 9.8133 9.8985 9.8985 10.3157 10.3157 k = 0.2105 0.1215-0.0000 ( 1864 PWs) bands (ev): 3.6770 3.6770 6.2292 6.2292 7.8190 7.8190 8.0054 8.0054 9.2109 9.2109 9.7700 9.7700 9.8628 9.8628 10.4062 10.4063 k = 0.2193 0.1266-0.0000 ( 1864 PWs) bands (ev): 3.7624 3.7624 6.2705 6.2705 7.7335 7.7335 7.9654 7.9654 9.1813 9.1813 9.7267 9.7267 9.8274 9.8274 10.4999 10.4999 k = 0.2281 0.1317-0.0000 ( 1868 PWs) bands (ev): 3.8494 3.8494 6.3071 6.3071 7.6493 7.6493 7.9300 7.9300 9.1553 9.1553 9.6836 9.6836 9.7924 9.7924 10.5964 10.5964 k = 0.2368 0.1367-0.0000 ( 1864 PWs) bands (ev): 3.9379 3.9379 6.3383 6.3383 7.5668 7.5668 7.8995 7.8995 9.1334 9.1334 9.6409 9.6409 9.7578 9.7578 10.6957 10.6957 k = 0.2456 0.1418-0.0000 ( 1864 PWs) bands (ev): 4.0276 4.0276 6.3635 6.3635 7.4860 7.4860 7.8741 7.8741 9.1162 9.1162 9.5987 9.5987 9.7236 9.7236 10.7976 10.7976 k = 0.2544 0.1469-0.0000 ( 1868 PWs) bands (ev): 4.1182 4.1182 6.3824 6.3824 7.4070 7.4070 7.8537 7.8537 9.1041 9.1041 9.5572 9.5572 9.6901 9.6901 10.9018 10.9018 k = 0.2632 0.1519-0.0000 ( 1872 PWs) bands (ev): 4.2094 4.2094 6.3945 6.3945 7.3301 7.3301 7.8381 7.8381 9.0975 9.0975 9.5165 9.5165 9.6571 9.6571 11.0080 11.0081 k = 0.2719 0.1570-0.0000 ( 1864 PWs) bands (ev): 4.3009 4.3009 6.4001 6.4001 7.2553 7.2553 7.8270 7.8270 9.0968 9.0968 9.4767 9.4767 9.6247 9.6247 11.1162 11.1162 k = 0.2807 0.1621-0.0000 ( 1870 PWs) bands (ev): 4.3924 4.3924 6.3995 6.3995 7.1826 7.1826 7.8198 7.8198 9.1019 9.1019 9.4381 9.4381 9.5932 9.5932 11.2259 11.2259 k = 0.2895 0.1671-0.0000 ( 1870 PWs) bands (ev): 4.4835 4.4835 6.3930 6.3930 7.1123 7.1123 7.8158 7.8158 9.1129 9.1129 9.4007 9.4007 9.5624 9.5624 11.3370 11.3370 k = 0.2982 0.1722-0.0000 ( 1868 PWs) bands (ev): 4.5739 4.5739 6.3815 6.3815 7.0443 7.0443 7.8145 7.8145 9.1293 9.1293 9.3648 9.3648 9.5325 9.5325 11.4492 11.4492 k = 0.3070 0.1773-0.0000 ( 1870 PWs) bands (ev): 4.6632 4.6632 6.3656 6.3656 6.9787 6.9787 7.8153 7.8153 9.1504 9.1504 9.3310 9.3310 9.5035 9.5035 11.5626 11.5626 k = 0.3158 0.1823-0.0000 ( 1878 PWs) bands (ev): 4.7510 4.7510 6.3461 6.3461 6.9156 6.9156 7.8177 7.8177 9.1741 9.1741 9.3008 9.3008 9.4757 9.4757 11.6774 11.6775 k = 0.3246 0.1874-0.0000 ( 1874 PWs) bands (ev): 4.8370 4.8370 6.3236 6.3236 6.8551 6.8551 7.8216 7.8216 9.1946 9.1946 9.2794 9.2794 9.4491 9.4491 11.7937 11.7938 k = 0.3333 0.1925-0.0000 ( 1890 PWs) bands (ev): 4.9207 4.9207 6.2990 6.2990 6.7973 6.7973 7.8267 7.8267 9.1964 9.1964 9.2810 9.2810 9.4242 9.4242 11.9116 11.9116 k = 0.3421 0.1975-0.0000 ( 1890 PWs) bands (ev): 5.0019 5.0019 6.2728 6.2728 6.7420 6.7420 7.8329 7.8329 9.1780 9.1780 9.3053 9.3053 9.4023 9.4023 12.0307 12.0307 k = 0.3509 0.2026-0.0000 ( 1890 PWs) bands (ev): 5.0801 5.0801 6.2456 6.2456 6.6896 6.6896 7.8405 7.8405 9.1533 9.1533 9.3312 9.3312 9.3896 9.3896 12.1501 12.1501 k = 0.3596 0.2076-0.0000 ( 1890 PWs) bands (ev): 5.1550 5.1550 6.2178 6.2178 6.6399 6.6399 7.8493 7.8493 9.1277 9.1277 9.3337 9.3337 9.4051 9.4051 12.2683 12.2683 k = 0.3684 0.2127-0.0000 ( 1886 PWs) bands (ev): 5.2264 5.2264 6.1898 6.1898 6.5930 6.5930 7.8594 7.8594 9.1026 9.1026 9.3184 9.3184 9.4409 9.4409 12.3838 12.3838 k = 0.3772 0.2178-0.0000 ( 1890 PWs) bands (ev): 5.2939 5.2939 6.1619 6.1619 6.5489 6.5489 7.8709 7.8709 9.0785 9.0785 9.3002 9.3002 9.4809 9.4809 12.4952 12.4952 k = 0.3860 0.2228-0.0000 ( 1890 PWs) bands (ev): 5.3574 5.3574 6.1344 6.1344 6.5078 6.5078 7.8838 7.8838 9.0558 9.0558 9.2821 9.2821 9.5213 9.5213 12.6020 12.6021 k = 0.3947 0.2279-0.0000 ( 1882 PWs) bands (ev): 5.4167 5.4167 6.1076 6.1076 6.4695 6.4695 7.8979 7.8979 9.0346 9.0346 9.2648 9.2648 9.5606 9.5606 12.7036 12.7036 k = 0.4035 0.2330-0.0000 ( 1878 PWs) bands (ev): 5.4718 5.4718 6.0815 6.0815 6.4342 6.4342 7.9131 7.9131 9.0148 9.0148 9.2486 9.2486 9.5981 9.5981 12.7993 12.7994 k = 0.4123 0.2380-0.0000 ( 1882 PWs) bands (ev): 5.5227 5.5227 6.0563 6.0563 6.4019 6.4019 7.9291 7.9291 8.9967 8.9967 9.2337 9.2337 9.6331 9.6331 12.8885 12.8886 k = 0.4211 0.2431-0.0000 ( 1882 PWs) bands (ev): 5.5694 5.5694 6.0320 6.0320 6.3726 6.3726 7.9456 7.9456 8.9802 8.9802 9.2200 9.2200 9.6654 9.6654 12.9706 12.9706 k = 0.4298 0.2482-0.0000 ( 1888 PWs) bands (ev): 5.6121 5.6121 6.0087 6.0087 6.3464 6.3464 7.9622 7.9622 8.9653 8.9653 9.2077 9.2077 9.6945 9.6945 13.0451 13.0451 k = 0.4386 0.2532-0.0000 ( 1884 PWs) bands (ev): 5.6509 5.6509 5.9863 5.9863 6.3231 6.3231 7.9784 7.9784 8.9522 8.9522 9.1968 9.1968 9.7203 9.7203 13.1116 13.1116 k = 0.4474 0.2583-0.0000 ( 1888 PWs) bands (ev): 5.6863 5.6863 5.9647 5.9647 6.3030 6.3030 7.9937 7.9937 8.9407 8.9407 9.1873 9.1873 9.7428 9.7428 13.1698 13.1698 k = 0.4561 0.2634-0.0000 ( 1896 PWs) bands (ev): 5.7183 5.7183 5.9439 5.9439 6.2859 6.2859 8.0077 8.0077 8.9310 8.9310 9.1792 9.1792 9.7617 9.7617 13.2193 13.2193 k = 0.4649 0.2684-0.0000 ( 1894 PWs) bands (ev): 5.7475 5.7475 5.9237 5.9237 6.2719 6.2719 8.0199 8.0199 8.9230 8.9230 9.1726 9.1726 9.7771 9.7771 13.2601 13.2601 k = 0.4737 0.2735-0.0000 ( 1890 PWs) bands (ev): 5.7742 5.7742 5.9037 5.9037 6.2610 6.2610 8.0299 8.0299 8.9168 8.9168 9.1674 9.1674 9.7891 9.7891 13.2920 13.2920 k = 0.4825 0.2785-0.0000 ( 1890 PWs) bands (ev): 5.7988 5.7988 5.8839 5.8839 6.2532 6.2532 8.0372 8.0372 8.9124 8.9124 9.1637 9.1637 9.7976 9.7976 13.3149 13.3149 k = 0.4912 0.2836-0.0000 ( 1890 PWs) bands (ev): 5.8216 5.8216 5.8638 5.8638 6.2485 6.2485 8.0418 8.0418 8.9097 8.9097 9.1615 9.1615 9.8027 9.8027 13.3286 13.3286 k = 0.5000 0.2887-0.0000 ( 1890 PWs) bands (ev): 5.8422 5.8422 5.8442 5.8442 6.2470 6.2470 8.0433 8.0433 8.9088 8.9088 9.1608 9.1608 9.8044 9.8044 13.3332 13.3332 k = 0.5000 0.2887-0.0000 ( 1890 PWs) bands (ev): 5.8422 5.8422 5.8442 5.8442 6.2470 6.2470 8.0433 8.0433 8.9088 8.9088 9.1608 9.1608 9.8044 9.8044 13.3332 13.3332 k = 0.4949 0.2974-0.0000 ( 1890 PWs) bands (ev): 5.8441 5.8441 5.8463 5.8463 6.2473 6.2473 8.0417 8.0417 8.9077 8.9077 9.1602 9.1602 9.8049 9.8049 13.3334 13.3334 k = 0.4899 0.3062-0.0000 ( 1890 PWs) bands (ev): 5.8499 5.8499 5.8527 5.8527 6.2482 6.2482 8.0367 8.0367 8.9042 8.9042 9.1584 9.1584 9.8063 9.8063 13.3338 13.3338 k = 0.4848 0.3149-0.0000 ( 1890 PWs) bands (ev): 5.8595 5.8595 5.8633 5.8633 6.2497 6.2497 8.0285 8.0285 8.8985 8.8985 9.1555 9.1555 9.8086 9.8086 13.3345 13.3345 k = 0.4798 0.3237-0.0000 ( 1886 PWs) bands (ev): 5.8729 5.8729 5.8780 5.8780 6.2518 6.2518 8.0170 8.0170 8.8907 8.8907 9.1515 9.1515 9.8119 9.8119 13.3352 13.3353 k = 0.4747 0.3324-0.0000 ( 1886 PWs) bands (ev): 5.8900 5.8900 5.8968 5.8968 6.2544 6.2544 8.0024 8.0024 8.8808 8.8808 9.1462 9.1462 9.8161 9.8161 13.3360 13.3360 k = 0.4697 0.3412-0.0000 ( 1886 PWs) bands (ev): 5.9107 5.9107 5.9195 5.9195 6.2575 6.2575 7.9849 7.9849 8.8690 8.8690 9.1399 9.1399 9.8212 9.8212 13.3366 13.3366 k = 0.4646 0.3499-0.0000 ( 1890 PWs) bands (ev): 5.9349 5.9349 5.9461 5.9461 6.2611 6.2611 7.9644 7.9644 8.8554 8.8554 9.1323 9.1323 9.8273 9.8273 13.3367 13.3367 k = 0.4596 0.3587-0.0000 ( 1890 PWs) bands (ev): 5.9625 5.9625 5.9765 5.9765 6.2652 6.2652 7.9412 7.9412 8.8402 8.8402 9.1236 9.1236 9.8344 9.8344 13.3351 13.3352 k = 0.4545 0.3674-0.0000 ( 1876 PWs) bands (ev): 5.9932 5.9932 6.0105 6.0105 6.2697 6.2697 7.9155 7.9155 8.8237 8.8237 9.1138 9.1138 9.8424 9.8424 13.3006 13.3011 k = 0.4495 0.3762-0.0000 ( 1876 PWs) bands (ev): 6.0268 6.0268 6.0478 6.0478 6.2744 6.2744 7.8873 7.8873 8.8061 8.8061 9.1029 9.1029 9.8514 9.8514 13.2319 13.2319 k = 0.4444 0.3849-0.0000 ( 1872 PWs) bands (ev): 6.0632 6.0632 6.0884 6.0884 6.2795 6.2795 7.8570 7.8570 8.7876 8.7876 9.0908 9.0908 9.8614 9.8614 13.1630 13.1630 k = 0.4394 0.3936-0.0000 ( 1872 PWs) bands (ev): 6.1021 6.1021 6.1319 6.1319 6.2848 6.2848 7.8247 7.8247 8.7684 8.7684 9.0777 9.0777 9.8723 9.8723 13.0958 13.0958 k = 0.4343 0.4024-0.0000 ( 1877 PWs) bands (ev): 6.1433 6.1433 6.1781 6.1781 6.2902 6.2902 7.7906 7.7906 8.7489 8.7489 9.0635 9.0635 9.8843 9.8843 13.0309 13.0309 k = 0.4293 0.4111-0.0000 ( 1881 PWs) bands (ev): 6.1863 6.1863 6.2267 6.2267 6.2959 6.2959 7.7548 7.7548 8.7293 8.7293 9.0483 9.0483 9.8972 9.8972 12.9691 12.9691 k = 0.4242 0.4199-0.0000 ( 1881 PWs) bands (ev): 6.2308 6.2308 6.2768 6.2768 6.3022 6.3022 7.7178 7.7178 8.7100 8.7100 9.0321 9.0321 9.9111 9.9111 12.9107 12.9107 k = 0.4192 0.4286-0.0000 ( 1871 PWs) bands (ev): 6.2759 6.2759 6.3064 6.3064 6.3317 6.3317 7.6795 7.6795 8.6911 8.6911 9.0149 9.0149 9.9260 9.9260 12.8561 12.8561 k = 0.4141 0.4374-0.0000 ( 1871 PWs) bands (ev): 6.3071 6.3071 6.3281 6.3281 6.3851 6.3851 7.6403 7.6403 8.6730 8.6730 8.9969 8.9969 9.9419 9.9419 12.8059 12.8059 k = 0.4091 0.4461-0.0000 ( 1875 PWs) bands (ev): 6.3142 6.3142 6.3737 6.3737 6.4401 6.4401 7.6003 7.6003 8.6559 8.6559 8.9780 8.9780 9.9587 9.9587 12.7603 12.7603 k = 0.4040 0.4549-0.0000 ( 1875 PWs) bands (ev): 6.3191 6.3191 6.4214 6.4214 6.4958 6.4958 7.5599 7.5599 8.6401 8.6401 8.9583 8.9583 9.9764 9.9764 12.7195 12.7195 k = 0.3990 0.4636-0.0000 ( 1871 PWs) bands (ev): 6.3234 6.3234 6.4692 6.4692 6.5517 6.5517 7.5190 7.5190 8.6258 8.6258 8.9380 8.9380 9.9948 9.9948 12.6841 12.6841 k = 0.3939 0.4724-0.0000 ( 1869 PWs) bands (ev): 6.3272 6.3272 6.5167 6.5167 6.6073 6.6073 7.4781 7.4781 8.6133 8.6133 8.9171 8.9171 10.0139 10.0139 12.6541 12.6541 k = 0.3889 0.4811-0.0000 ( 1865 PWs) bands (ev): 6.3304 6.3304 6.5633 6.5633 6.6621 6.6621 7.4373 7.4373 8.6028 8.6028 8.8956 8.8956 10.0335 10.0335 12.6299 12.6299 k = 0.3838 0.4899-0.0000 ( 1867 PWs) bands (ev): 6.3331 6.3331 6.6089 6.6089 6.7154 6.7154 7.3967 7.3967 8.5944 8.5944 8.8738 8.8738 10.0533 10.0533 12.6117 12.6117 k = 0.3788 0.4986-0.0000 ( 1867 PWs) bands (ev): 6.3353 6.3353 6.6529 6.6529 6.7668 6.7668 7.3568 7.3568 8.5884 8.5884 8.8516 8.8516 10.0731 10.0731 12.5998 12.5998 k = 0.3737 0.5074-0.0000 ( 1875 PWs) bands (ev): 6.3370 6.3370 6.6952 6.6952 6.8156 6.8156 7.3176 7.3176 8.5848 8.5848 8.8293 8.8293 10.0927 10.0927 12.5943 12.5943 k = 0.3687 0.5161-0.0000 ( 1879 PWs) bands (ev): 6.3382 6.3382 6.7353 6.7353 6.8610 6.8610 7.2796 7.2796 8.5838 8.5838 8.8069 8.8069 10.1116 10.1116 12.5954 12.5954 k = 0.3636 0.5249-0.0000 ( 1883 PWs) bands (ev): 6.3390 6.3390 6.7731 6.7731 6.9023 6.9023 7.2432 7.2432 8.5854 8.5854 8.7846 8.7846 10.1293 10.1293 12.6032 12.6032 k = 0.3586 0.5336-0.0000 ( 1887 PWs) bands (ev): 6.3393 6.3393 6.8083 6.8083 6.9385 6.9385 7.2091 7.2091 8.5897 8.5897 8.7625 8.7625 10.1456 10.1456 12.6177 12.6177 k = 0.3535 0.5424-0.0000 ( 1889 PWs) bands (ev): 6.3394 6.3394 6.8406 6.8406 6.9681 6.9681 7.1785 7.1785 8.5965 8.5965 8.7409 8.7409 10.1599 10.1599 12.6387 12.6387 k = 0.3485 0.5511-0.0000 ( 1893 PWs) bands (ev): 6.3392 6.3392 6.8696 6.8696 6.9891 6.9891 7.1534 7.1534 8.6059 8.6059 8.7198 8.7198 10.1717 10.1717 12.6660 12.6660 k = 0.3434 0.5599-0.0000 ( 1891 PWs) bands (ev): 6.3390 6.3390 6.8943 6.8943 6.9992 6.9992 7.1366 7.1366 8.6173 8.6173 8.7000 8.7000 10.1806 10.1806 12.6988 12.6988 k = 0.3384 0.5686-0.0000 ( 1887 PWs) bands (ev): 6.3387 6.3387 6.9129 6.9129 6.9992 6.9992 7.1290 7.1290 8.6296 8.6296 8.6827 8.6827 10.1862 10.1862 12.7348 12.7348 k = 0.3333 0.5774-0.0000 ( 1887 PWs) bands (ev): 6.3386 6.3386 6.9204 6.9204 6.9967 6.9967 7.1276 7.1276 8.6366 8.6366 8.6739 8.6739 10.1881 10.1881 12.7588 12.7588 k = 0.3333 0.5774-0.0000 ( 1887 PWs) bands (ev): 6.3386 6.3386 6.9204 6.9204 6.9967 6.9967 7.1276 7.1276 8.6366 8.6366 8.6739 8.6739 10.1881 10.1881 12.7588 12.7588 k = 0.3282 0.5685-0.0000 ( 1891 PWs) bands (ev): 6.3388 6.3388 6.9123 6.9123 7.0011 7.0011 7.1276 7.1276 8.6288 8.6288 8.6835 8.6835 10.1860 10.1860 12.7315 12.7315 k = 0.3231 0.5596-0.0000 ( 1891 PWs) bands (ev): 6.3394 6.3394 6.8922 6.8922 7.0117 7.0117 7.1256 7.1256 8.6140 8.6140 8.7036 8.7036 10.1797 10.1797 12.6849 12.6849 k = 0.3179 0.5507-0.0000 ( 1887 PWs) bands (ev): 6.3406 6.3406 6.8664 6.8664 7.0241 7.0241 7.1200 7.1200 8.5984 8.5984 8.7281 8.7281 10.1689 10.1689 12.6340 12.6341 k = 0.3128 0.5418-0.0000 ( 1883 PWs) bands (ev): 6.3425 6.3425 6.8376 6.8376 7.0362 7.0362 7.1104 7.1104 8.5834 8.5834 8.7554 8.7554 10.1536 10.1536 12.5809 12.5809 k = 0.3077 0.5329-0.0000 ( 1871 PWs) bands (ev): 6.3454 6.3454 6.8068 6.8068 7.0471 7.0471 7.0970 7.0970 8.5696 8.5696 8.7851 8.7851 10.1339 10.1339 12.5260 12.5260 k = 0.3026 0.5241-0.0000 ( 1873 PWs) bands (ev): 6.3494 6.3494 6.7740 6.7740 7.0563 7.0563 7.0804 7.0804 8.5571 8.5571 8.8169 8.8169 10.1098 10.1098 12.4696 12.4696 k = 0.2974 0.5152-0.0000 ( 1873 PWs) bands (ev): 6.3545 6.3545 6.7387 6.7387 7.0578 7.0578 7.0678 7.0678 8.5462 8.5462 8.8506 8.8506 10.0816 10.0816 12.4119 12.4119 k = 0.2923 0.5063-0.0000 ( 1877 PWs) bands (ev): 6.3610 6.3610 6.7001 6.7001 7.0389 7.0389 7.0729 7.0729 8.5370 8.5370 8.8859 8.8859 10.0495 10.0495 12.3530 12.3530 k = 0.2872 0.4974-0.0000 ( 1873 PWs) bands (ev): 6.3690 6.3690 6.6574 6.6574 7.0183 7.0183 7.0785 7.0785 8.5295 8.5295 8.9228 8.9228 10.0137 10.0137 12.2931 12.2931 k = 0.2821 0.4885-0.0000 ( 1873 PWs) bands (ev): 6.3786 6.3786 6.6098 6.6098 6.9987 6.9987 7.0830 7.0830 8.5239 8.5239 8.9610 8.9610 9.9745 9.9745 12.2322 12.2322 k = 0.2769 0.4796-0.0000 ( 1875 PWs) bands (ev): 6.3899 6.3899 6.5566 6.5566 6.9813 6.9813 7.0865 7.0865 8.5202 8.5202 9.0004 9.0004 9.9324 9.9324 12.1706 12.1706 k = 0.2718 0.4708-0.0000 ( 1879 PWs) bands (ev): 6.4030 6.4030 6.4975 6.4975 6.9669 6.9669 7.0890 7.0890 8.5186 8.5186 9.0409 9.0409 9.8876 9.8876 12.1082 12.1082 k = 0.2667 0.4619-0.0000 ( 1875 PWs) bands (ev): 6.4164 6.4164 6.4342 6.4342 6.9560 6.9560 7.0905 7.0905 8.5190 8.5190 9.0821 9.0821 9.8406 9.8406 12.0453 12.0453 k = 0.2615 0.4530-0.0000 ( 1879 PWs) bands (ev): 6.3606 6.3606 6.4364 6.4364 6.9489 6.9489 7.0911 7.0911 8.5217 8.5217 9.1241 9.1241 9.7919 9.7919 11.9819 11.9819 k = 0.2564 0.4441-0.0000 ( 1879 PWs) bands (ev): 6.2845 6.2845 6.4556 6.4556 6.9456 6.9456 7.0908 7.0908 8.5266 8.5266 9.1666 9.1666 9.7418 9.7418 11.9182 11.9182 k = 0.2513 0.4352-0.0000 ( 1887 PWs) bands (ev): 6.2033 6.2033 6.4772 6.4772 6.9459 6.9459 7.0894 7.0894 8.5337 8.5337 9.2094 9.2094 9.6909 9.6909 11.8541 11.8541 k = 0.2462 0.4264-0.0000 ( 1885 PWs) bands (ev): 6.1177 6.1177 6.5011 6.5011 6.9498 6.9498 7.0870 7.0870 8.5431 8.5431 9.2523 9.2523 9.6397 9.6397 11.7899 11.7899 k = 0.2410 0.4175-0.0000 ( 1881 PWs) bands (ev): 6.0282 6.0282 6.5275 6.5275 6.9573 6.9573 7.0835 7.0835 8.5549 8.5549 9.2949 9.2949 9.5888 9.5888 11.7256 11.7256 k = 0.2359 0.4086-0.0000 ( 1887 PWs) bands (ev): 5.9353 5.9353 6.5563 6.5563 6.9680 6.9680 7.0786 7.0786 8.5691 8.5691 9.3365 9.3365 9.5395 9.5395 11.6613 11.6613 k = 0.2308 0.3997-0.0000 ( 1883 PWs) bands (ev): 5.8394 5.8394 6.5875 6.5875 6.9819 6.9819 7.0724 7.0724 8.5856 8.5856 9.3747 9.3747 9.4945 9.4945 11.5971 11.5971 k = 0.2256 0.3908-0.0000 ( 1883 PWs) bands (ev): 5.7411 5.7411 6.6213 6.6213 6.9987 6.9987 7.0647 7.0647 8.6046 8.6046 9.3954 9.3954 9.4682 9.4682 11.5330 11.5330 k = 0.2205 0.3819-0.0000 ( 1883 PWs) bands (ev): 5.6407 5.6407 6.6576 6.6576 7.0175 7.0175 7.0562 7.0562 8.6259 8.6259 9.3727 9.3727 9.4869 9.4869 11.4692 11.4692 k = 0.2154 0.3731-0.0000 ( 1883 PWs) bands (ev): 5.5385 5.5385 6.6964 6.6964 7.0312 7.0312 7.0536 7.0536 8.6497 8.6497 9.3337 9.3337 9.5238 9.5238 11.4057 11.4057 k = 0.2103 0.3642-0.0000 ( 1883 PWs) bands (ev): 5.4350 5.4350 6.7378 6.7378 7.0234 7.0234 7.0732 7.0732 8.6758 8.6758 9.2940 9.2940 9.5639 9.5639 11.3426 11.3426 k = 0.2051 0.3553-0.0000 ( 1879 PWs) bands (ev): 5.3303 5.3303 6.7816 6.7816 7.0076 7.0076 7.1011 7.1011 8.7044 8.7044 9.2565 9.2565 9.6044 9.6044 11.2800 11.2800 k = 0.2000 0.3464-0.0000 ( 1883 PWs) bands (ev): 5.2250 5.2250 6.8276 6.8276 6.9885 6.9886 7.1326 7.1326 8.7352 8.7352 9.2224 9.2224 9.6447 9.6447 11.2179 11.2179 k = 0.1949 0.3375-0.0000 ( 1889 PWs) bands (ev): 5.1191 5.1191 6.8747 6.8747 6.9677 6.9677 7.1669 7.1669 8.7684 8.7684 9.1921 9.1921 9.6844 9.6844 11.1563 11.1563 k = 0.1897 0.3286-0.0000 ( 1889 PWs) bands (ev): 5.0130 5.0130 6.9120 6.9120 6.9558 6.9558 7.2040 7.2040 8.8038 8.8038 9.1663 9.1663 9.7234 9.7234 11.0955 11.0955 k = 0.1846 0.3198-0.0000 ( 1879 PWs) bands (ev): 4.9069 4.9069 6.8999 6.8999 6.9925 6.9925 7.2437 7.2437 8.8413 8.8413 9.1452 9.1452 9.7616 9.7616 11.0353 11.0353 k = 0.1795 0.3109-0.0000 ( 1871 PWs) bands (ev): 4.8012 4.8012 6.8690 6.8690 7.0470 7.0470 7.2859 7.2859 8.8808 8.8808 9.1292 9.1292 9.7988 9.7988 10.9760 10.9760 k = 0.1744 0.3020-0.0000 ( 1875 PWs) bands (ev): 4.6958 4.6958 6.8328 6.8328 7.1059 7.1059 7.3305 7.3305 8.9222 8.9222 9.1184 9.1184 9.8350 9.8350 10.9174 10.9174 k = 0.1692 0.2931-0.0000 ( 1869 PWs) bands (ev): 4.5912 4.5912 6.7927 6.7927 7.1678 7.1678 7.3773 7.3773 8.9650 8.9650 9.1133 9.1133 9.8701 9.8701 10.8597 10.8597 k = 0.1641 0.2842-0.0000 ( 1865 PWs) bands (ev): 4.4876 4.4876 6.7491 6.7491 7.2324 7.2324 7.4264 7.4264 9.0083 9.0083 9.1147 9.1147 9.9042 9.9042 10.8029 10.8029 k = 0.1590 0.2754-0.0000 ( 1861 PWs) bands (ev): 4.3850 4.3850 6.7023 6.7023 7.2995 7.2995 7.4776 7.4776 9.0500 9.0500 9.1245 9.1245 9.9370 9.9370 10.7471 10.7471 k = 0.1538 0.2665-0.0000 ( 1861 PWs) bands (ev): 4.2837 4.2837 6.6525 6.6525 7.3690 7.3690 7.5308 7.5308 9.0850 9.0850 9.1475 9.1475 9.9687 9.9687 10.6922 10.6922 k = 0.1487 0.2576-0.0000 ( 1861 PWs) bands (ev): 4.1839 4.1839 6.6001 6.6002 7.4407 7.4407 7.5858 7.5858 9.1106 9.1106 9.1861 9.1861 9.9991 9.9991 10.6385 10.6385 k = 0.1436 0.2487-0.0000 ( 1865 PWs) bands (ev): 4.0858 4.0858 6.5455 6.5455 7.5147 7.5147 7.6426 7.6426 9.1326 9.1326 9.2341 9.2341 10.0282 10.0282 10.5858 10.5858 k = 0.1385 0.2398-0.0000 ( 1865 PWs) bands (ev): 3.9894 3.9894 6.4889 6.4889 7.5908 7.5908 7.7011 7.7011 9.1556 9.1556 9.2866 9.2866 10.0559 10.0559 10.5342 10.5342 k = 0.1333 0.2309-0.0000 ( 1859 PWs) bands (ev): 3.8951 3.8951 6.4307 6.4307 7.6688 7.6688 7.7611 7.7611 9.1808 9.1808 9.3416 9.3416 10.0822 10.0822 10.4839 10.4839 k = 0.1282 0.2221-0.0000 ( 1851 PWs) bands (ev): 3.8029 3.8029 6.3713 6.3713 7.7486 7.7486 7.8226 7.8226 9.2087 9.2087 9.3985 9.3985 10.1068 10.1068 10.4349 10.4349 k = 0.1231 0.2132-0.0000 ( 1853 PWs) bands (ev): 3.7130 3.7130 6.3111 6.3111 7.8299 7.8299 7.8855 7.8855 9.2391 9.2391 9.4568 9.4568 10.1293 10.1293 10.3874 10.3874 k = 0.1179 0.2043-0.0000 ( 1853 PWs) bands (ev): 3.6256 3.6256 6.2503 6.2503 7.9121 7.9121 7.9502 7.9502 9.2719 9.2719 9.5161 9.5161 10.1487 10.1487 10.3414 10.3414 k = 0.1128 0.1954-0.0000 ( 1857 PWs) bands (ev): 3.5407 3.5407 6.1895 6.1895 7.9933 7.9933 8.0182 8.0182 9.3066 9.3066 9.5762 9.5762 10.1617 10.1617 10.2930 10.2931 k = 0.1077 0.1865-0.0000 ( 1857 PWs) bands (ev): 3.4586 3.4586 6.1288 6.1288 8.0684 8.0684 8.0942 8.0942 9.3430 9.3430 9.6368 9.6368 10.1571 10.1571 10.2254 10.2255 k = 0.1026 0.1776-0.0000 ( 1857 PWs) bands (ev): 3.3794 3.3794 6.0687 6.0687 8.1372 8.1372 8.1781 8.1781 9.3807 9.3807 9.6976 9.6976 10.1069 10.1069 10.1747 10.1747 k = 0.0974 0.1688-0.0000 ( 1853 PWs) bands (ev): 3.3032 3.3032 6.0095 6.0095 8.2041 8.2041 8.2649 8.2649 9.4194 9.4194 9.7582 9.7582 10.0301 10.0301 10.1372 10.1372 k = 0.0923 0.1599-0.0000 ( 1857 PWs) bands (ev): 3.2300 3.2300 5.9515 5.9515 8.2705 8.2705 8.3529 8.3529 9.4587 9.4587 9.8177 9.8177 9.9524 9.9524 10.0989 10.0989 k = 0.0872 0.1510-0.0000 ( 1849 PWs) bands (ev): 3.1602 3.1602 5.8949 5.8949 8.3367 8.3367 8.4414 8.4414 9.4981 9.4981 9.8658 9.8658 9.8872 9.8872 10.0613 10.0613 k = 0.0821 0.1421-0.0000 ( 1849 PWs) bands (ev): 3.0936 3.0936 5.8400 5.8400 8.4024 8.4024 8.5298 8.5298 9.5371 9.5371 9.8049 9.8049 9.9279 9.9279 10.0299 10.0299 k = 0.0769 0.1332-0.0000 ( 1849 PWs) bands (ev): 3.0306 3.0306 5.7872 5.7872 8.4677 8.4677 8.6178 8.6178 9.5746 9.5746 9.7398 9.7398 9.9446 9.9446 10.0308 10.0308 k = 0.0718 0.1244-0.0000 ( 1847 PWs) bands (ev): 2.9711 2.9711 5.7366 5.7366 8.5323 8.5323 8.7048 8.7048 9.6061 9.6061 9.6840 9.6840 9.9184 9.9184 10.0733 10.0733 k = 0.0667 0.1155-0.0000 ( 1847 PWs) bands (ev): 2.9153 2.9153 5.6885 5.6885 8.5960 8.5960 8.7903 8.7903 9.5989 9.5989 9.6701 9.6701 9.8817 9.8817 10.1240 10.1240 k = 0.0615 0.1066-0.0000 ( 1847 PWs) bands (ev): 2.8632 2.8632 5.6431 5.6431 8.6588 8.6588 8.8737 8.8737 9.5528 9.5528 9.6978 9.6978 9.8426 9.8426 10.1710 10.1711 k = 0.0564 0.0977-0.0000 ( 1849 PWs) bands (ev): 2.8150 2.8150 5.6006 5.6006 8.7203 8.7203 8.9544 8.9544 9.5051 9.5051 9.7297 9.7297 9.8030 9.8030 10.1867 10.1867 k = 0.0513 0.0888-0.0000 ( 1849 PWs) bands (ev): 2.7707 2.7707 5.5611 5.5611 8.7806 8.7806 9.0317 9.0317 9.4606 9.4606 9.7550 9.7550 9.7686 9.7686 10.1552 10.1553 k = 0.0462 0.0799-0.0000 ( 1845 PWs) bands (ev): 2.7304 2.7304 5.5250 5.5250 8.8393 8.8393 9.1048 9.1049 9.4201 9.4201 9.7208 9.7208 9.7911 9.7911 10.1194 10.1195 k = 0.0410 0.0711-0.0000 ( 1847 PWs) bands (ev): 2.6941 2.6941 5.4922 5.4922 8.8962 8.8962 9.1730 9.1730 9.3840 9.3840 9.6804 9.6804 9.8169 9.8169 10.0872 10.0872 k = 0.0359 0.0622-0.0000 ( 1847 PWs) bands (ev): 2.6620 2.6620 5.4630 5.4630 8.9513 8.9513 9.2354 9.2354 9.3524 9.3524 9.6398 9.6398 9.8393 9.8393 10.0599 10.0599 k = 0.0308 0.0533-0.0000 ( 1845 PWs) bands (ev): 2.6340 2.6340 5.4374 5.4374 9.0041 9.0041 9.2912 9.2912 9.3254 9.3254 9.5991 9.5991 9.8577 9.8577 10.0379 10.0379 k = 0.0256 0.0444-0.0000 ( 1845 PWs) bands (ev): 2.6103 2.6103 5.4155 5.4155 9.0542 9.0542 9.3034 9.3034 9.3398 9.3398 9.5586 9.5586 9.8715 9.8715 10.0216 10.0216 k = 0.0205 0.0355-0.0000 ( 1845 PWs) bands (ev): 2.5908 2.5908 5.3976 5.3976 9.1007 9.1007 9.2870 9.2870 9.3804 9.3804 9.5186 9.5186 9.8804 9.8804 10.0109 10.0109 k = 0.0154 0.0266-0.0000 ( 1833 PWs) bands (ev): 2.5757 2.5757 5.3835 5.3835 9.1415 9.1415 9.2776 9.2776 9.4126 9.4126 9.4795 9.4795 9.8851 9.8851 10.0051 10.0051 k = 0.0103 0.0178-0.0000 ( 1829 PWs) bands (ev): 2.5648 2.5648 5.3734 5.3734 9.1727 9.1727 9.2776 9.2776 9.4358 9.4358 9.4428 9.4429 9.8869 9.8869 10.0027 10.0027 k = 0.0051 0.0089-0.0000 ( 1833 PWs) bands (ev): 2.5583 2.5583 5.3674 5.3674 9.1901 9.1901 9.2872 9.2872 9.4125 9.4125 9.4499 9.4499 9.8872 9.8872 10.0020 10.0020 k = 0.0000 0.0000 0.0000 ( 1833 PWs) bands (ev): 2.5561 2.5561 5.3654 5.3654 9.1951 9.1951 9.2946 9.2946 9.3991 9.3991 9.4546 9.4546 9.8872 9.8872 10.0020 10.0020 k = 0.0000 0.0000 0.0000 ( 1833 PWs) bands (ev): 2.5561 2.5561 5.3654 5.3654 9.1951 9.1951 9.2946 9.2946 9.3991 9.3991 9.4546 9.4546 9.8872 9.8872 10.0019 10.0019 k = 0.0000 0.0000 0.0101 ( 1833 PWs) bands (ev): 2.5582 2.5582 5.3651 5.3651 9.1936 9.1936 9.2928 9.2928 9.3975 9.3975 9.4503 9.4503 9.8855 9.8855 10.0001 10.0001 k = 0.0000 0.0000 0.0203 ( 1833 PWs) bands (ev): 2.5647 2.5647 5.3642 5.3642 9.1895 9.1895 9.2877 9.2877 9.3928 9.3928 9.4374 9.4374 9.8806 9.8806 9.9947 9.9947 k = 0.0000 0.0000 0.0304 ( 1833 PWs) bands (ev): 2.5753 2.5753 5.3628 5.3628 9.1827 9.1827 9.2795 9.2795 9.3849 9.3849 9.4162 9.4162 9.8723 9.8723 9.9857 9.9857 k = 0.0000 0.0000 0.0405 ( 1840 PWs) bands (ev): 2.5903 2.5903 5.3606 5.3606 9.1736 9.1736 9.2685 9.2685 9.3739 9.3739 9.3871 9.3871 9.8609 9.8609 9.9733 9.9733 k = 0.0000 0.0000 0.0506 ( 1840 PWs) bands (ev): 2.6094 2.6094 5.3576 5.3576 9.1626 9.1626 9.2552 9.2552 9.3507 9.3507 9.3599 9.3599 9.8464 9.8464 9.9576 9.9576 k = 0.0000 0.0000 0.0608 ( 1840 PWs) bands (ev): 2.6328 2.6328 5.3537 5.3537 9.1500 9.1500 9.2401 9.2401 9.3076 9.3076 9.3427 9.3427 9.8290 9.8290 9.9388 9.9388 k = 0.0000 0.0000 0.0709 ( 1840 PWs) bands (ev): 2.6603 2.6603 5.3486 5.3486 9.1362 9.1362 9.2238 9.2238 9.2586 9.2586 9.3227 9.3227 9.8090 9.8090 9.9171 9.9172 k = 0.0000 0.0000 0.0810 ( 1852 PWs) bands (ev): 2.6919 2.6919 5.3421 5.3421 9.1217 9.1217 9.2046 9.2046 9.2065 9.2065 9.2999 9.2999 9.7864 9.7864 9.8929 9.8929 k = 0.0000 0.0000 0.0912 ( 1852 PWs) bands (ev): 2.7275 2.7275 5.3340 5.3340 9.1069 9.1069 9.1465 9.1465 9.1888 9.1888 9.2746 9.2746 9.7615 9.7615 9.8663 9.8663 k = 0.0000 0.0000 0.1013 ( 1852 PWs) bands (ev): 2.7671 2.7671 5.3240 5.3240 9.0853 9.0853 9.0921 9.0921 9.1709 9.1709 9.2469 9.2469 9.7346 9.7346 9.8376 9.8376 k = 0.0000 0.0000 0.1114 ( 1852 PWs) bands (ev): 2.8106 2.8106 5.3118 5.3118 9.0220 9.0220 9.0776 9.0776 9.1527 9.1527 9.2176 9.2176 9.7059 9.7059 9.8071 9.8071 k = 0.0000 0.0000 0.1215 ( 1852 PWs) bands (ev): 2.8579 2.8579 5.2971 5.2971 8.9576 8.9576 9.0637 9.0637 9.1338 9.1338 9.1875 9.1875 9.6757 9.6757 9.7751 9.7751 k = 0.0000 0.0000 0.1317 ( 1870 PWs) bands (ev): 2.9089 2.9089 5.2795 5.2795 8.8931 8.8931 9.0507 9.0507 9.1126 9.1126 9.1586 9.1586 9.6442 9.6442 9.7418 9.7418 k = 0.0000 0.0000 0.1418 ( 1870 PWs) bands (ev): 2.9636 2.9636 5.2588 5.2588 8.8294 8.8294 9.0388 9.0388 9.0861 9.0861 9.1344 9.1344 9.6117 9.6118 9.7075 9.7075 k = 0.0000 0.0000 0.1519 ( 1870 PWs) bands (ev): 3.0217 3.0217 5.2344 5.2344 8.7676 8.7676 9.0282 9.0282 9.0534 9.0534 9.1162 9.1162 9.5785 9.5785 9.6725 9.6725 k = 0.0000 0.0000 0.1620 ( 1870 PWs) bands (ev): 3.0832 3.0832 5.2063 5.2063 8.7085 8.7085 9.0162 9.0162 9.0190 9.0190 9.1027 9.1027 9.5447 9.5447 9.6371 9.6371 k = 0.0000 0.0000 0.1722 ( 1870 PWs) bands (ev): 3.1479 3.1479 5.1739 5.1739 8.6528 8.6528 8.9765 8.9765 9.0114 9.0114 9.0923 9.0923 9.5107 9.5107 9.6013 9.6013 k = 0.0000 0.0000 0.1823 ( 1870 PWs) bands (ev): 3.2157 3.2157 5.1372 5.1372 8.6014 8.6014 8.9351 8.9351 9.0054 9.0054 9.0845 9.0845 9.4765 9.4765 9.5656 9.5656 k = 0.0000 0.0000 0.1924 ( 1882 PWs) bands (ev): 3.2865 3.2865 5.0958 5.0958 8.5548 8.5548 8.8928 8.8928 9.0013 9.0013 9.0789 9.0789 9.4425 9.4425 9.5301 9.5301 k = 0.0000 0.0000 0.2026 ( 1876 PWs) bands (ev): 3.3599 3.3599 5.0498 5.0498 8.5135 8.5135 8.8499 8.8499 8.9989 8.9989 9.0755 9.0755 9.4087 9.4087 9.4949 9.4949 k = 0.0000 0.0000 0.2127 ( 1876 PWs) bands (ev): 3.4358 3.4358 4.9990 4.9990 8.4780 8.4780 8.8069 8.8069 8.9985 8.9985 9.0743 9.0743 9.3755 9.3755 9.4603 9.4603 k = 0.0000 0.0000 0.2228 ( 1870 PWs) bands (ev): 3.5141 3.5141 4.9434 4.9434 8.4485 8.4485 8.7641 8.7641 9.0000 9.0000 9.0752 9.0752 9.3429 9.3429 9.4265 9.4265 k = 0.0000 0.0000 0.2329 ( 1870 PWs) bands (ev): 3.5944 3.5944 4.8833 4.8833 8.4252 8.4252 8.7218 8.7218 9.0035 9.0035 9.0783 9.0783 9.3112 9.3112 9.3935 9.3935 k = 0.0000 0.0000 0.2431 ( 1870 PWs) bands (ev): 3.6765 3.6765 4.8189 4.8189 8.4081 8.4081 8.6805 8.6805 9.0090 9.0090 9.0835 9.0835 9.2804 9.2804 9.3616 9.3616 k = 0.0000 0.0000 0.2532 ( 1870 PWs) bands (ev): 3.7601 3.7601 4.7503 4.7503 8.3971 8.3971 8.6404 8.6404 9.0165 9.0165 9.0908 9.0908 9.2508 9.2508 9.3309 9.3309 k = 0.0000 0.0000 0.2633 ( 1870 PWs) bands (ev): 3.8450 3.8450 4.6781 4.6781 8.3922 8.3922 8.6019 8.6019 9.0259 9.0259 9.1002 9.1002 9.2223 9.2223 9.3015 9.3015 k = 0.0000 0.0000 0.2735 ( 1870 PWs) bands (ev): 3.9308 3.9308 4.6024 4.6024 8.3930 8.3930 8.5654 8.5654 9.0373 9.0373 9.1117 9.1117 9.1952 9.1952 9.2735 9.2735 k = 0.0000 0.0000 0.2836 ( 1870 PWs) bands (ev): 4.0171 4.0171 4.5239 4.5239 8.3992 8.3992 8.5314 8.5314 9.0507 9.0507 9.1253 9.1253 9.1696 9.1696 9.2471 9.2471 k = 0.0000 0.0000 0.2937 ( 1852 PWs) bands (ev): 4.1035 4.1035 4.4429 4.4429 8.4106 8.4106 8.5001 8.5001 9.0660 9.0660 9.1408 9.1408 9.1455 9.1455 9.2223 9.2223 k = 0.0000 0.0000 0.3038 ( 1846 PWs) bands (ev): 4.1898 4.1898 4.3599 4.3599 8.4268 8.4268 8.4719 8.4719 9.0832 9.0832 9.1230 9.1230 9.1584 9.1584 9.1992 9.1992 k = 0.0000 0.0000 0.3140 ( 1846 PWs) bands (ev): 4.2753 4.2753 4.2755 4.2755 8.4474 8.4474 8.4474 8.4474 9.1022 9.1022 9.1022 9.1022 9.1778 9.1778 9.1778 9.1778 k = 0.0000 0.0000 0.3140 ( 1846 PWs) bands (ev): 4.2753 4.2753 4.2755 4.2755 8.4474 8.4474 8.4474 8.4474 9.1022 9.1022 9.1022 9.1022 9.1778 9.1778 9.1778 9.1778 k = 0.0088 0.0051 0.3140 ( 1846 PWs) bands (ev): 4.2772 4.2772 4.2774 4.2774 8.4451 8.4451 8.4452 8.4452 9.1029 9.1029 9.1029 9.1029 9.1786 9.1786 9.1786 9.1786 k = 0.0175 0.0101 0.3140 ( 1846 PWs) bands (ev): 4.2829 4.2829 4.2830 4.2830 8.4385 8.4385 8.4386 8.4386 9.1049 9.1049 9.1049 9.1049 9.1810 9.1810 9.1810 9.1810 k = 0.0263 0.0152 0.3140 ( 1850 PWs) bands (ev): 4.2923 4.2923 4.2925 4.2925 8.4276 8.4276 8.4277 8.4277 9.1078 9.1078 9.1078 9.1078 9.1854 9.1854 9.1854 9.1854 k = 0.0351 0.0203 0.3140 ( 1854 PWs) bands (ev): 4.3055 4.3055 4.3056 4.3056 8.4127 8.4127 8.4128 8.4128 9.1107 9.1107 9.1107 9.1107 9.1924 9.1924 9.1924 9.1924 k = 0.0439 0.0253 0.3140 ( 1856 PWs) bands (ev): 4.3223 4.3223 4.3224 4.3224 8.3941 8.3941 8.3941 8.3941 9.1129 9.1129 9.1129 9.1129 9.2025 9.2025 9.2025 9.2025 k = 0.0526 0.0304 0.3140 ( 1856 PWs) bands (ev): 4.3427 4.3427 4.3429 4.3429 8.3720 8.3720 8.3721 8.3721 9.1135 9.1135 9.1135 9.1135 9.2163 9.2163 9.2163 9.2163 k = 0.0614 0.0355 0.3140 ( 1866 PWs) bands (ev): 4.3667 4.3667 4.3668 4.3668 8.3470 8.3470 8.3470 8.3470 9.1122 9.1122 9.1122 9.1122 9.2340 9.2340 9.2340 9.2340 k = 0.0702 0.0405 0.3140 ( 1866 PWs) bands (ev): 4.3941 4.3941 4.3942 4.3942 8.3193 8.3193 8.3194 8.3194 9.1087 9.1087 9.1087 9.1087 9.2556 9.2556 9.2556 9.2556 k = 0.0789 0.0456 0.3140 ( 1862 PWs) bands (ev): 4.4248 4.4248 4.4249 4.4249 8.2894 8.2894 8.2895 8.2895 9.1030 9.1030 9.1031 9.1031 9.2808 9.2808 9.2808 9.2808 k = 0.0877 0.0506 0.3140 ( 1862 PWs) bands (ev): 4.4586 4.4586 4.4588 4.4588 8.2576 8.2576 8.2577 8.2577 9.0952 9.0952 9.0953 9.0953 9.3094 9.3094 9.3094 9.3094 k = 0.0965 0.0557 0.3140 ( 1866 PWs) bands (ev): 4.4955 4.4955 4.4956 4.4956 8.2243 8.2243 8.2244 8.2244 9.0854 9.0854 9.0854 9.0854 9.3413 9.3413 9.3413 9.3413 k = 0.1053 0.0608 0.3140 ( 1868 PWs) bands (ev): 4.5353 4.5353 4.5354 4.5354 8.1899 8.1899 8.1899 8.1899 9.0736 9.0736 9.0736 9.0736 9.3761 9.3761 9.3761 9.3761 k = 0.1140 0.0658 0.3140 ( 1868 PWs) bands (ev): 4.5777 4.5777 4.5778 4.5778 8.1546 8.1546 8.1546 8.1546 9.0600 9.0600 9.0600 9.0600 9.4138 9.4138 9.4138 9.4138 k = 0.1228 0.0709 0.3140 ( 1868 PWs) bands (ev): 4.6225 4.6225 4.6226 4.6226 8.1188 8.1188 8.1189 8.1189 9.0447 9.0447 9.0448 9.0448 9.4540 9.4540 9.4541 9.4541 k = 0.1316 0.0760 0.3140 ( 1868 PWs) bands (ev): 4.6695 4.6695 4.6697 4.6697 8.0829 8.0829 8.0829 8.0829 9.0280 9.0280 9.0281 9.0281 9.4968 9.4968 9.4968 9.4968 k = 0.1404 0.0810 0.3140 ( 1868 PWs) bands (ev): 4.7185 4.7185 4.7186 4.7186 8.0470 8.0470 8.0470 8.0470 9.0101 9.0101 9.0102 9.0102 9.5417 9.5417 9.5417 9.5417 k = 0.1491 0.0861 0.3140 ( 1866 PWs) bands (ev): 4.7691 4.7691 4.7692 4.7692 8.0115 8.0115 8.0115 8.0115 8.9913 8.9913 8.9913 8.9913 9.5887 9.5887 9.5887 9.5887 k = 0.1579 0.0912 0.3140 ( 1870 PWs) bands (ev): 4.8210 4.8210 4.8212 4.8212 7.9766 7.9766 7.9766 7.9766 8.9718 8.9718 8.9718 8.9718 9.6375 9.6375 9.6375 9.6375 k = 0.1667 0.0962 0.3140 ( 1870 PWs) bands (ev): 4.8739 4.8739 4.8740 4.8740 7.9426 7.9426 7.9426 7.9426 8.9520 8.9520 8.9520 8.9520 9.6878 9.6878 9.6879 9.6879 k = 0.1754 0.1013 0.3140 ( 1874 PWs) bands (ev): 4.9274 4.9274 4.9275 4.9275 7.9096 7.9096 7.9097 7.9097 8.9323 8.9323 8.9323 8.9324 9.7395 9.7395 9.7395 9.7395 k = 0.1842 0.1064 0.3140 ( 1870 PWs) bands (ev): 4.9810 4.9810 4.9812 4.9812 7.8780 7.8780 7.8781 7.8781 8.9131 8.9131 8.9132 8.9132 9.7922 9.7922 9.7922 9.7922 k = 0.1930 0.1114 0.3140 ( 1870 PWs) bands (ev): 5.0344 5.0344 5.0346 5.0346 7.8479 7.8479 7.8480 7.8480 8.8949 8.8949 8.8949 8.8949 9.8456 9.8456 9.8456 9.8456 k = 0.2018 0.1165 0.3140 ( 1870 PWs) bands (ev): 5.0872 5.0872 5.0873 5.0873 7.8194 7.8194 7.8195 7.8195 8.8781 8.8781 8.8781 8.8781 9.8994 9.8994 9.8994 9.8994 k = 0.2105 0.1215 0.3140 ( 1868 PWs) bands (ev): 5.1388 5.1388 5.1389 5.1389 7.7927 7.7927 7.7927 7.7927 8.8632 8.8632 8.8633 8.8633 9.9533 9.9533 9.9533 9.9533 k = 0.2193 0.1266 0.3140 ( 1874 PWs) bands (ev): 5.1888 5.1888 5.1890 5.1890 7.7677 7.7677 7.7678 7.7678 8.8508 8.8508 8.8509 8.8509 10.0069 10.0069 10.0069 10.0069 k = 0.2281 0.1317 0.3140 ( 1874 PWs) bands (ev): 5.2368 5.2368 5.2370 5.2370 7.7445 7.7445 7.7446 7.7446 8.8414 8.8414 8.8415 8.8415 10.0598 10.0598 10.0599 10.0599 k = 0.2368 0.1367 0.3140 ( 1878 PWs) bands (ev): 5.2824 5.2824 5.2825 5.2825 7.7231 7.7231 7.7231 7.7231 8.8356 8.8356 8.8357 8.8357 10.1117 10.1117 10.1118 10.1118 k = 0.2456 0.1418 0.3140 ( 1878 PWs) bands (ev): 5.3251 5.3251 5.3253 5.3253 7.7032 7.7032 7.7033 7.7033 8.8340 8.8340 8.8340 8.8340 10.1622 10.1622 10.1623 10.1623 k = 0.2544 0.1469 0.3140 ( 1884 PWs) bands (ev): 5.3646 5.3646 5.3648 5.3648 7.6849 7.6849 7.6849 7.6849 8.8370 8.8370 8.8370 8.8370 10.2110 10.2110 10.2110 10.2110 k = 0.2632 0.1519 0.3140 ( 1884 PWs) bands (ev): 5.4007 5.4007 5.4009 5.4009 7.6677 7.6677 7.6678 7.6678 8.8451 8.8451 8.8452 8.8452 10.2576 10.2576 10.2576 10.2576 k = 0.2719 0.1570 0.3140 ( 1880 PWs) bands (ev): 5.4331 5.4331 5.4333 5.4333 7.6515 7.6515 7.6516 7.6516 8.8588 8.8588 8.8589 8.8589 10.3018 10.3018 10.3018 10.3018 k = 0.2807 0.1621 0.3140 ( 1884 PWs) bands (ev): 5.4618 5.4618 5.4619 5.4619 7.6361 7.6361 7.6362 7.6362 8.8784 8.8784 8.8785 8.8785 10.3433 10.3433 10.3433 10.3433 k = 0.2895 0.1671 0.3140 ( 1880 PWs) bands (ev): 5.4866 5.4866 5.4868 5.4868 7.6211 7.6211 7.6212 7.6212 8.9040 8.9040 8.9041 8.9041 10.3819 10.3819 10.3820 10.3820 k = 0.2982 0.1722 0.3140 ( 1880 PWs) bands (ev): 5.5077 5.5077 5.5078 5.5078 7.6064 7.6064 7.6065 7.6065 8.9356 8.9356 8.9357 8.9357 10.4175 10.4175 10.4175 10.4175 k = 0.3070 0.1773 0.3140 ( 1880 PWs) bands (ev): 5.5251 5.5251 5.5253 5.5253 7.5918 7.5918 7.5918 7.5918 8.9732 8.9732 8.9732 8.9732 10.4499 10.4499 10.4500 10.4500 k = 0.3158 0.1823 0.3140 ( 1880 PWs) bands (ev): 5.5391 5.5391 5.5393 5.5393 7.5771 7.5771 7.5772 7.5772 9.0163 9.0163 9.0164 9.0164 10.4792 10.4792 10.4793 10.4793 k = 0.3246 0.1874 0.3140 ( 1886 PWs) bands (ev): 5.5499 5.5499 5.5501 5.5501 7.5623 7.5623 7.5623 7.5623 9.0646 9.0646 9.0647 9.0647 10.5055 10.5055 10.5056 10.5056 k = 0.3333 0.1925 0.3140 ( 1874 PWs) bands (ev): 5.5578 5.5578 5.5579 5.5579 7.5473 7.5473 7.5474 7.5474 9.1176 9.1176 9.1176 9.1176 10.5287 10.5287 10.5288 10.5288 k = 0.3421 0.1975 0.3140 ( 1872 PWs) bands (ev): 5.5630 5.5630 5.5632 5.5632 7.5323 7.5323 7.5324 7.5324 9.1744 9.1744 9.1745 9.1745 10.5492 10.5492 10.5492 10.5492 k = 0.3509 0.2026 0.3140 ( 1872 PWs) bands (ev): 5.5660 5.5660 5.5661 5.5661 7.5173 7.5173 7.5173 7.5173 9.2345 9.2345 9.2345 9.2345 10.5669 10.5669 10.5670 10.5670 k = 0.3596 0.2076 0.3140 ( 1872 PWs) bands (ev): 5.5670 5.5670 5.5671 5.5671 7.5023 7.5023 7.5024 7.5024 9.2968 9.2968 9.2969 9.2969 10.5823 10.5823 10.5823 10.5823 k = 0.3684 0.2127 0.3140 ( 1874 PWs) bands (ev): 5.5663 5.5663 5.5664 5.5664 7.4875 7.4875 7.4876 7.4876 9.3607 9.3607 9.3608 9.3608 10.5954 10.5954 10.5954 10.5954 k = 0.3772 0.2178 0.3140 ( 1874 PWs) bands (ev): 5.5643 5.5643 5.5644 5.5644 7.4730 7.4730 7.4731 7.4731 9.4253 9.4253 9.4254 9.4254 10.6065 10.6065 10.6066 10.6066 k = 0.3860 0.2228 0.3140 ( 1870 PWs) bands (ev): 5.5612 5.5612 5.5613 5.5613 7.4589 7.4589 7.4590 7.4590 9.4896 9.4896 9.4897 9.4897 10.6158 10.6158 10.6159 10.6159 k = 0.3947 0.2279 0.3140 ( 1874 PWs) bands (ev): 5.5573 5.5573 5.5574 5.5574 7.4454 7.4454 7.4455 7.4455 9.5529 9.5529 9.5530 9.5530 10.6236 10.6236 10.6237 10.6237 k = 0.4035 0.2330 0.3140 ( 1870 PWs) bands (ev): 5.5529 5.5529 5.5530 5.5530 7.4326 7.4326 7.4327 7.4327 9.6143 9.6143 9.6144 9.6144 10.6300 10.6300 10.6301 10.6301 k = 0.4123 0.2380 0.3140 ( 1870 PWs) bands (ev): 5.5482 5.5482 5.5483 5.5483 7.4205 7.4205 7.4206 7.4206 9.6730 9.6730 9.6731 9.6731 10.6353 10.6353 10.6354 10.6354 k = 0.4211 0.2431 0.3140 ( 1870 PWs) bands (ev): 5.5434 5.5434 5.5434 5.5434 7.4093 7.4093 7.4094 7.4094 9.7284 9.7284 9.7284 9.7284 10.6395 10.6395 10.6396 10.6396 k = 0.4298 0.2482 0.3140 ( 1876 PWs) bands (ev): 5.5386 5.5386 5.5386 5.5386 7.3990 7.3990 7.3991 7.3991 9.7797 9.7797 9.7797 9.7797 10.6430 10.6430 10.6431 10.6431 k = 0.4386 0.2532 0.3140 ( 1880 PWs) bands (ev): 5.5340 5.5340 5.5340 5.5340 7.3898 7.3898 7.3899 7.3899 9.8263 9.8263 9.8264 9.8264 10.6457 10.6457 10.6458 10.6458 k = 0.4474 0.2583 0.3140 ( 1880 PWs) bands (ev): 5.5298 5.5298 5.5298 5.5298 7.3817 7.3817 7.3818 7.3818 9.8678 9.8678 9.8679 9.8679 10.6479 10.6479 10.6480 10.6480 k = 0.4561 0.2634 0.3140 ( 1880 PWs) bands (ev): 5.5260 5.5260 5.5260 5.5260 7.3747 7.3747 7.3748 7.3748 9.9037 9.9037 9.9037 9.9037 10.6496 10.6496 10.6497 10.6497 k = 0.4649 0.2684 0.3140 ( 1880 PWs) bands (ev): 5.5228 5.5228 5.5228 5.5228 7.3690 7.3690 7.3690 7.3690 9.9335 9.9335 9.9336 9.9336 10.6508 10.6508 10.6509 10.6509 k = 0.4737 0.2735 0.3140 ( 1880 PWs) bands (ev): 5.5202 5.5202 5.5203 5.5203 7.3644 7.3644 7.3645 7.3645 9.9570 9.9570 9.9571 9.9571 10.6518 10.6518 10.6519 10.6519 k = 0.4825 0.2785 0.3140 ( 1884 PWs) bands (ev): 5.5183 5.5183 5.5184 5.5184 7.3612 7.3612 7.3613 7.3613 9.9740 9.9740 9.9741 9.9741 10.6524 10.6524 10.6525 10.6525 k = 0.4912 0.2836 0.3140 ( 1884 PWs) bands (ev): 5.5172 5.5172 5.5172 5.5172 7.3592 7.3592 7.3593 7.3593 9.9842 9.9842 9.9843 9.9843 10.6528 10.6528 10.6529 10.6529 k = 0.5000 0.2887 0.3140 ( 1892 PWs) bands (ev): 5.5168 5.5168 5.5168 5.5168 7.3586 7.3586 7.3586 7.3586 9.9877 9.9877 9.9877 9.9877 10.6529 10.6529 10.6530 10.6530 k = 0.5000 0.2887 0.3140 ( 1892 PWs) bands (ev): 5.5168 5.5168 5.5168 5.5168 7.3586 7.3586 7.3586 7.3586 9.9877 9.9877 9.9877 9.9877 10.6529 10.6529 10.6530 10.6530 k = 0.4949 0.2974 0.3140 ( 1886 PWs) bands (ev): 5.5181 5.5181 5.5194 5.5194 7.3593 7.3593 7.3604 7.3604 9.9687 9.9687 9.9822 9.9822 10.6518 10.6518 10.6688 10.6688 k = 0.4899 0.3062 0.3140 ( 1882 PWs) bands (ev): 5.5233 5.5233 5.5258 5.5258 7.3625 7.3625 7.3647 7.3647 9.9282 9.9282 9.9529 9.9529 10.6648 10.6648 10.6965 10.6965 k = 0.4848 0.3149 0.3140 ( 1874 PWs) bands (ev): 5.5323 5.5323 5.5360 5.5360 7.3681 7.3681 7.3715 7.3715 9.8711 9.8711 9.9036 9.9036 10.6882 10.6882 10.7312 10.7312 k = 0.4798 0.3237 0.3140 ( 1874 PWs) bands (ev): 5.5451 5.5451 5.5501 5.5501 7.3762 7.3762 7.3807 7.3807 9.8016 9.8016 9.8391 9.8391 10.7169 10.7169 10.7682 10.7682 k = 0.4747 0.3324 0.3140 ( 1870 PWs) bands (ev): 5.5617 5.5617 5.5679 5.5679 7.3867 7.3867 7.3922 7.3922 9.7235 9.7235 9.7638 9.7638 10.7466 10.7466 10.8042 10.8042 k = 0.4697 0.3412 0.3140 ( 1870 PWs) bands (ev): 5.5819 5.5819 5.5894 5.5894 7.3995 7.3995 7.4061 7.4061 9.6391 9.6391 9.6808 9.6808 10.7743 10.7743 10.8365 10.8365 k = 0.4646 0.3499 0.3140 ( 1870 PWs) bands (ev): 5.6057 5.6057 5.6145 5.6145 7.4146 7.4146 7.4221 7.4221 9.5504 9.5504 9.5925 9.5925 10.7976 10.7976 10.8635 10.8635 k = 0.4596 0.3587 0.3140 ( 1870 PWs) bands (ev): 5.6330 5.6330 5.6431 5.6431 7.4317 7.4317 7.4401 7.4401 9.4587 9.4587 9.5005 9.5005 10.8153 10.8153 10.8841 10.8841 k = 0.4545 0.3674 0.3140 ( 1870 PWs) bands (ev): 5.6638 5.6638 5.6752 5.6752 7.4508 7.4508 7.4601 7.4601 9.3650 9.3650 9.4061 9.4061 10.8267 10.8267 10.8976 10.8976 k = 0.4495 0.3762 0.3140 ( 1870 PWs) bands (ev): 5.6978 5.6978 5.7105 5.7105 7.4717 7.4717 7.4817 7.4817 9.2703 9.2703 9.3102 9.3102 10.8313 10.8313 10.9041 10.9041 k = 0.4444 0.3849 0.3140 ( 1870 PWs) bands (ev): 5.7349 5.7349 5.7490 5.7490 7.4941 7.4941 7.5046 7.5046 9.1753 9.1753 9.2137 9.2137 10.8294 10.8294 10.9035 10.9035 k = 0.4394 0.3936 0.3140 ( 1870 PWs) bands (ev): 5.7750 5.7750 5.7904 5.7904 7.5178 7.5178 7.5287 7.5287 9.0807 9.0807 9.1172 9.1172 10.8213 10.8213 10.8964 10.8964 k = 0.4343 0.4024 0.3140 ( 1874 PWs) bands (ev): 5.8180 5.8180 5.8348 5.8348 7.5423 7.5423 7.5533 7.5533 8.9871 8.9871 9.0214 9.0214 10.8076 10.8076 10.8834 10.8834 k = 0.4293 0.4111 0.3140 ( 1876 PWs) bands (ev): 5.8637 5.8637 5.8819 5.8819 7.5672 7.5672 7.5780 7.5780 8.8953 8.8953 8.9269 8.9269 10.7890 10.7890 10.8653 10.8653 k = 0.4242 0.4199 0.3140 ( 1880 PWs) bands (ev): 5.9120 5.9120 5.9315 5.9315 7.5920 7.5920 7.6021 7.6021 8.8061 8.8061 8.8345 8.8345 10.7665 10.7665 10.8430 10.8430 k = 0.4192 0.4286 0.3140 ( 1884 PWs) bands (ev): 5.9626 5.9626 5.9834 5.9834 7.6158 7.6158 7.6246 7.6246 8.7204 8.7204 8.7449 8.7449 10.7409 10.7409 10.8175 10.8175 k = 0.4141 0.4374 0.3140 ( 1888 PWs) bands (ev): 6.0153 6.0153 6.0376 6.0376 7.6377 7.6377 7.6443 7.6443 8.6393 8.6393 8.6591 8.6591 10.7131 10.7131 10.7896 10.7896 k = 0.4091 0.4461 0.3140 ( 1892 PWs) bands (ev): 6.0701 6.0701 6.0937 6.0937 7.6564 7.6564 7.6598 7.6598 8.5641 8.5641 8.5782 8.5782 10.6841 10.6841 10.7604 10.7604 k = 0.4040 0.4549 0.3140 ( 1894 PWs) bands (ev): 6.1267 6.1267 6.1517 6.1517 7.6693 7.6693 7.6703 7.6703 8.4965 8.4965 8.5037 8.5037 10.6546 10.6546 10.7307 10.7307 k = 0.3990 0.4636 0.3140 ( 1894 PWs) bands (ev): 6.1849 6.1849 6.2112 6.2112 7.6706 7.6706 7.6774 7.6774 8.4372 8.4372 8.4383 8.4383 10.6255 10.6255 10.7013 10.7013 k = 0.3939 0.4724 0.3140 ( 1894 PWs) bands (ev): 6.2446 6.2446 6.2722 6.2722 7.6619 7.6619 7.6756 7.6756 8.3808 8.3808 8.3912 8.3912 10.5975 10.5975 10.6730 10.6730 k = 0.3889 0.4811 0.3140 ( 1882 PWs) bands (ev): 6.3056 6.3056 6.3345 6.3345 7.6419 7.6419 7.6629 7.6629 8.3359 8.3359 8.3561 8.3561 10.5712 10.5712 10.6465 10.6465 k = 0.3838 0.4899 0.3140 ( 1886 PWs) bands (ev): 6.3677 6.3677 6.3978 6.3978 7.6104 7.6104 7.6384 7.6384 8.3034 8.3034 8.3329 8.3329 10.5472 10.5472 10.6222 10.6222 k = 0.3788 0.4986 0.3140 ( 1882 PWs) bands (ev): 6.4307 6.4307 6.4619 6.4619 7.5685 7.5685 7.6023 7.6023 8.2825 8.2825 8.3200 8.3200 10.5259 10.5259 10.6007 10.6007 k = 0.3737 0.5074 0.3140 ( 1882 PWs) bands (ev): 6.4944 6.4944 6.5268 6.5268 7.5182 7.5182 7.5564 7.5564 8.2712 8.2712 8.3152 8.3152 10.5077 10.5077 10.5822 10.5822 k = 0.3687 0.5161 0.3140 ( 1882 PWs) bands (ev): 6.5587 6.5587 6.5920 6.5920 7.4616 7.4616 7.5028 7.5028 8.2672 8.2672 8.3161 8.3161 10.4926 10.4926 10.5671 10.5671 k = 0.3636 0.5249 0.3140 ( 1882 PWs) bands (ev): 6.6233 6.6233 6.6576 6.6576 7.4008 7.4008 7.4439 7.4439 8.2678 8.2678 8.3203 8.3203 10.4808 10.4808 10.5553 10.5553 k = 0.3586 0.5336 0.3140 ( 1878 PWs) bands (ev): 6.6882 6.6882 6.7232 6.7232 7.3373 7.3373 7.3817 7.3817 8.2710 8.2710 8.3261 8.3261 10.4721 10.4721 10.5466 10.5466 k = 0.3535 0.5424 0.3140 ( 1878 PWs) bands (ev): 6.7530 6.7530 6.7885 6.7885 7.2725 7.2725 7.3178 7.3178 8.2751 8.2751 8.3321 8.3321 10.4663 10.4663 10.5409 10.5409 k = 0.3485 0.5511 0.3140 ( 1878 PWs) bands (ev): 6.8175 6.8175 6.8531 6.8531 7.2074 7.2074 7.2535 7.2535 8.2791 8.2791 8.3375 8.3375 10.4629 10.4629 10.5376 10.5376 k = 0.3434 0.5599 0.3140 ( 1880 PWs) bands (ev): 6.8812 6.8812 6.9160 6.9160 7.1429 7.1429 7.1904 7.1904 8.2823 8.2823 8.3416 8.3416 10.4613 10.4613 10.5361 10.5361 k = 0.3384 0.5686 0.3140 ( 1884 PWs) bands (ev): 6.9428 6.9428 6.9741 6.9741 7.0807 7.0807 7.1321 7.1321 8.2844 8.2844 8.3441 8.3441 10.4608 10.4608 10.5357 10.5357 k = 0.3333 0.5774 0.3140 ( 1884 PWs) bands (ev): 6.9852 6.9852 7.0069 7.0069 7.0382 7.0382 7.0992 7.0992 8.2850 8.2850 8.3449 8.3449 10.4609 10.4609 10.5358 10.5358 k = 0.3333 0.5774 0.3140 ( 1884 PWs) bands (ev): 6.9852 6.9852 7.0069 7.0069 7.0382 7.0382 7.0992 7.0992 8.2850 8.2850 8.3449 8.3449 10.4609 10.4609 10.5358 10.5358 k = 0.3282 0.5685 0.3140 ( 1884 PWs) bands (ev): 6.9430 6.9430 6.9742 6.9742 7.0806 7.0806 7.1320 7.1320 8.2844 8.2844 8.3441 8.3441 10.4606 10.4606 10.5355 10.5355 k = 0.3231 0.5596 0.3140 ( 1884 PWs) bands (ev): 6.8837 6.8837 6.9185 6.9185 7.1405 7.1405 7.1880 7.1880 8.2825 8.2825 8.3418 8.3418 10.4593 10.4593 10.5340 10.5340 k = 0.3179 0.5507 0.3140 ( 1880 PWs) bands (ev): 6.8246 6.8246 6.8604 6.8604 7.2006 7.2006 7.2466 7.2466 8.2798 8.2798 8.3382 8.3382 10.4564 10.4564 10.5308 10.5308 k = 0.3128 0.5418 0.3140 ( 1880 PWs) bands (ev): 6.7668 6.7668 6.8028 6.8028 7.2596 7.2596 7.3044 7.3044 8.2765 8.2765 8.3337 8.3337 10.4513 10.4513 10.5253 10.5253 k = 0.3077 0.5329 0.3140 ( 1876 PWs) bands (ev): 6.7108 6.7108 6.7467 6.7467 7.3168 7.3168 7.3606 7.3606 8.2730 8.2730 8.3286 8.3286 10.4438 10.4438 10.5172 10.5172 k = 0.3026 0.5241 0.3140 ( 1876 PWs) bands (ev): 6.6567 6.6567 6.6922 6.6922 7.3719 7.3719 7.4143 7.4143 8.2698 8.2698 8.3233 8.3233 10.4337 10.4337 10.5065 10.5065 k = 0.2974 0.5152 0.3140 ( 1876 PWs) bands (ev): 6.6046 6.6046 6.6396 6.6396 7.4244 7.4244 7.4652 7.4652 8.2672 8.2672 8.3181 8.3181 10.4212 10.4212 10.4931 10.4931 k = 0.2923 0.5063 0.3140 ( 1874 PWs) bands (ev): 6.5544 6.5544 6.5890 6.5890 7.4742 7.4742 7.5128 7.5128 8.2656 8.2656 8.3134 8.3134 10.4063 10.4063 10.4773 10.4773 k = 0.2872 0.4974 0.3140 ( 1874 PWs) bands (ev): 6.5063 6.5063 6.5402 6.5402 7.5208 7.5208 7.5566 7.5566 8.2654 8.2654 8.3093 8.3093 10.3895 10.3895 10.4596 10.4596 k = 0.2821 0.4885 0.3140 ( 1874 PWs) bands (ev): 6.4600 6.4600 6.4934 6.4934 7.5639 7.5639 7.5963 7.5963 8.2669 8.2669 8.3063 8.3063 10.3714 10.3714 10.4405 10.4405 k = 0.2769 0.4796 0.3140 ( 1882 PWs) bands (ev): 6.4157 6.4157 6.4485 6.4485 7.6034 7.6034 7.6316 7.6316 8.2701 8.2701 8.3043 8.3043 10.3524 10.3524 10.4204 10.4204 k = 0.2718 0.4708 0.3140 ( 1882 PWs) bands (ev): 6.3733 6.3733 6.4054 6.4054 7.6388 7.6388 7.6623 7.6623 8.2752 8.2752 8.3036 8.3036 10.3332 10.3332 10.4002 10.4002 k = 0.2667 0.4619 0.3140 ( 1878 PWs) bands (ev): 6.3326 6.3326 6.3640 6.3640 7.6701 7.6701 7.6884 7.6884 8.2820 8.2820 8.3042 8.3042 10.3144 10.3144 10.3803 10.3803 k = 0.2615 0.4530 0.3140 ( 1874 PWs) bands (ev): 6.2935 6.2935 6.3243 6.3243 7.6973 7.6973 7.7099 7.7099 8.2903 8.2903 8.3059 8.3059 10.2967 10.2967 10.3615 10.3615 k = 0.2564 0.4441 0.3140 ( 1874 PWs) bands (ev): 6.2560 6.2560 6.2861 6.2861 7.7203 7.7203 7.7271 7.7271 8.2998 8.2998 8.3087 8.3087 10.2807 10.2807 10.3443 10.3443 k = 0.2513 0.4352 0.3140 ( 1872 PWs) bands (ev): 6.2199 6.2199 6.2493 6.2493 7.7393 7.7393 7.7403 7.7403 8.3100 8.3100 8.3124 8.3124 10.2668 10.2668 10.3292 10.3292 k = 0.2462 0.4264 0.3140 ( 1880 PWs) bands (ev): 6.1851 6.1851 6.2137 6.2137 7.7499 7.7499 7.7543 7.7543 8.3168 8.3168 8.3205 8.3205 10.2555 10.2555 10.3166 10.3166 k = 0.2410 0.4175 0.3140 ( 1876 PWs) bands (ev): 6.1513 6.1513 6.1791 6.1791 7.7562 7.7562 7.7657 7.7657 8.3218 8.3218 8.3311 8.3311 10.2471 10.2471 10.3067 10.3067 k = 0.2359 0.4086 0.3140 ( 1880 PWs) bands (ev): 6.1183 6.1183 6.1453 6.1453 7.7596 7.7596 7.7737 7.7737 8.3273 8.3273 8.3414 8.3414 10.2417 10.2417 10.2998 10.2998 k = 0.2308 0.3997 0.3140 ( 1882 PWs) bands (ev): 6.0861 6.0861 6.1122 6.1122 7.7605 7.7605 7.7784 7.7784 8.3333 8.3333 8.3515 8.3515 10.2394 10.2394 10.2958 10.2958 k = 0.2256 0.3908 0.3140 ( 1882 PWs) bands (ev): 6.0542 6.0542 6.0795 6.0795 7.7592 7.7592 7.7803 7.7803 8.3398 8.3398 8.3613 8.3613 10.2399 10.2399 10.2946 10.2946 k = 0.2205 0.3819 0.3140 ( 1890 PWs) bands (ev): 6.0226 6.0226 6.0469 6.0469 7.7559 7.7559 7.7795 7.7795 8.3471 8.3471 8.3710 8.3710 10.2429 10.2429 10.2958 10.2958 k = 0.2154 0.3731 0.3140 ( 1890 PWs) bands (ev): 5.9908 5.9908 6.0142 6.0142 7.7511 7.7511 7.7764 7.7764 8.3553 8.3553 8.3809 8.3809 10.2481 10.2481 10.2991 10.2991 k = 0.2103 0.3642 0.3140 ( 1890 PWs) bands (ev): 5.9587 5.9587 5.9811 5.9811 7.7449 7.7449 7.7713 7.7713 8.3647 8.3647 8.3913 8.3913 10.2548 10.2548 10.3038 10.3038 k = 0.2051 0.3553 0.3140 ( 1886 PWs) bands (ev): 5.9260 5.9260 5.9473 5.9473 7.7378 7.7378 7.7646 7.7646 8.3755 8.3755 8.4025 8.4025 10.2624 10.2624 10.3094 10.3094 k = 0.2000 0.3464 0.3140 ( 1894 PWs) bands (ev): 5.8923 5.8923 5.9125 5.9125 7.7301 7.7301 7.7568 7.7568 8.3880 8.3880 8.4148 8.4148 10.2702 10.2702 10.3151 10.3151 k = 0.1949 0.3375 0.3140 ( 1886 PWs) bands (ev): 5.8575 5.8575 5.8766 5.8766 7.7221 7.7221 7.7483 7.7483 8.4022 8.4022 8.4284 8.4284 10.2774 10.2774 10.3202 10.3202 k = 0.1897 0.3286 0.3140 ( 1882 PWs) bands (ev): 5.8212 5.8212 5.8392 5.8392 7.7145 7.7145 7.7398 7.7398 8.4182 8.4182 8.4435 8.4435 10.2830 10.2830 10.3237 10.3237 k = 0.1846 0.3198 0.3140 ( 1882 PWs) bands (ev): 5.7834 5.7834 5.8001 5.8001 7.7075 7.7075 7.7317 7.7317 8.4361 8.4361 8.4603 8.4603 10.2864 10.2864 10.3249 10.3249 k = 0.1795 0.3109 0.3140 ( 1886 PWs) bands (ev): 5.7437 5.7437 5.7593 5.7593 7.7017 7.7017 7.7245 7.7245 8.4558 8.4558 8.4787 8.4787 10.2867 10.2867 10.3230 10.3230 k = 0.1744 0.3020 0.3140 ( 1882 PWs) bands (ev): 5.7020 5.7020 5.7164 5.7164 7.6974 7.6974 7.7187 7.7187 8.4774 8.4774 8.4989 8.4989 10.2831 10.2831 10.3172 10.3172 k = 0.1692 0.2931 0.3140 ( 1882 PWs) bands (ev): 5.6583 5.6583 5.6715 5.6715 7.6950 7.6950 7.7148 7.7148 8.5006 8.5006 8.5208 8.5208 10.2750 10.2750 10.3069 10.3069 k = 0.1641 0.2842 0.3140 ( 1880 PWs) bands (ev): 5.6124 5.6124 5.6245 5.6245 7.6950 7.6950 7.7132 7.7132 8.5254 8.5254 8.5442 8.5442 10.2618 10.2618 10.2916 10.2916 k = 0.1590 0.2754 0.3140 ( 1880 PWs) bands (ev): 5.5645 5.5645 5.5755 5.5755 7.6974 7.6974 7.7140 7.7140 8.5517 8.5517 8.5691 8.5691 10.2433 10.2433 10.2709 10.2709 k = 0.1538 0.2665 0.3140 ( 1884 PWs) bands (ev): 5.5146 5.5146 5.5245 5.5245 7.7025 7.7025 7.7176 7.7176 8.5792 8.5792 8.5954 8.5954 10.2193 10.2193 10.2446 10.2446 k = 0.1487 0.2576 0.3140 ( 1880 PWs) bands (ev): 5.4628 5.4628 5.4717 5.4717 7.7105 7.7105 7.7241 7.7241 8.6078 8.6078 8.6229 8.6229 10.1897 10.1897 10.2130 10.2130 k = 0.1436 0.2487 0.3140 ( 1880 PWs) bands (ev): 5.4093 5.4093 5.4172 5.4172 7.7214 7.7214 7.7336 7.7336 8.6374 8.6374 8.6513 8.6513 10.1550 10.1550 10.1762 10.1762 k = 0.1385 0.2398 0.3140 ( 1876 PWs) bands (ev): 5.3543 5.3543 5.3613 5.3613 7.7351 7.7351 7.7461 7.7461 8.6677 8.6677 8.6806 8.6806 10.1154 10.1154 10.1348 10.1348 k = 0.1333 0.2309 0.3140 ( 1872 PWs) bands (ev): 5.2980 5.2980 5.3042 5.3042 7.7518 7.7518 7.7615 7.7615 8.6985 8.6985 8.7105 8.7105 10.0718 10.0718 10.0893 10.0893 k = 0.1282 0.2221 0.3140 ( 1870 PWs) bands (ev): 5.2408 5.2408 5.2461 5.2461 7.7712 7.7712 7.7798 7.7798 8.7296 8.7296 8.7407 8.7407 10.0246 10.0246 10.0405 10.0405 k = 0.1231 0.2132 0.3140 ( 1874 PWs) bands (ev): 5.1828 5.1828 5.1875 5.1875 7.7932 7.7932 7.8008 7.8008 8.7609 8.7609 8.7712 8.7712 9.9747 9.9747 9.9890 9.9890 k = 0.1179 0.2043 0.3140 ( 1874 PWs) bands (ev): 5.1245 5.1245 5.1285 5.1285 7.8177 7.8177 7.8243 7.8243 8.7920 8.7920 8.8016 8.8016 9.9228 9.9228 9.9358 9.9358 k = 0.1128 0.1954 0.3140 ( 1882 PWs) bands (ev): 5.0661 5.0661 5.0695 5.0695 7.8445 7.8445 7.8503 7.8503 8.8227 8.8227 8.8317 8.8317 9.8695 9.8695 9.8813 9.8813 k = 0.1077 0.1865 0.3140 ( 1878 PWs) bands (ev): 5.0079 5.0079 5.0108 5.0108 7.8733 7.8733 7.8784 7.8784 8.8529 8.8529 8.8613 8.8613 9.8157 9.8157 9.8264 9.8264 k = 0.1026 0.1776 0.3140 ( 1874 PWs) bands (ev): 4.9502 4.9502 4.9527 4.9527 7.9040 7.9040 7.9084 7.9084 8.8823 8.8823 8.8902 8.8902 9.7618 9.7618 9.7715 9.7715 k = 0.0974 0.1688 0.3140 ( 1874 PWs) bands (ev): 4.8934 4.8934 4.8955 4.8955 7.9363 7.9363 7.9401 7.9401 8.9107 8.9107 8.9181 8.9181 9.7084 9.7084 9.7173 9.7173 k = 0.0923 0.1599 0.3140 ( 1878 PWs) bands (ev): 4.8377 4.8377 4.8395 4.8395 7.9700 7.9700 7.9732 7.9732 8.9378 8.9378 8.9448 8.9448 9.6560 9.6560 9.6642 9.6642 k = 0.0872 0.1510 0.3140 ( 1874 PWs) bands (ev): 4.7834 4.7834 4.7849 4.7849 8.0047 8.0047 8.0075 8.0075 8.9635 8.9635 8.9702 8.9702 9.6050 9.6050 9.6125 9.6125 k = 0.0821 0.1421 0.3140 ( 1874 PWs) bands (ev): 4.7308 4.7308 4.7320 4.7320 8.0402 8.0402 8.0426 8.0426 8.9876 8.9876 8.9939 8.9939 9.5557 9.5557 9.5627 9.5627 k = 0.0769 0.1332 0.3140 ( 1874 PWs) bands (ev): 4.6801 4.6801 4.6810 4.6810 8.0763 8.0763 8.0783 8.0783 9.0099 9.0099 9.0159 9.0159 9.5086 9.5086 9.5151 9.5151 k = 0.0718 0.1244 0.3140 ( 1874 PWs) bands (ev): 4.6315 4.6315 4.6323 4.6323 8.1125 8.1125 8.1142 8.1142 9.0302 9.0302 9.0359 9.0359 9.4638 9.4638 9.4698 9.4698 k = 0.0667 0.1155 0.3140 ( 1870 PWs) bands (ev): 4.5854 4.5854 4.5860 4.5860 8.1487 8.1487 8.1501 8.1501 9.0484 9.0484 9.0539 9.0539 9.4216 9.4216 9.4272 9.4272 k = 0.0615 0.1066 0.3140 ( 1870 PWs) bands (ev): 4.5418 4.5418 4.5423 4.5423 8.1845 8.1845 8.1856 8.1856 9.0645 9.0645 9.0696 9.0696 9.3821 9.3821 9.3874 9.3874 k = 0.0564 0.0977 0.3140 ( 1862 PWs) bands (ev): 4.5010 4.5010 4.5014 4.5014 8.2194 8.2194 8.2204 8.2204 9.0783 9.0783 9.0831 9.0831 9.3458 9.3458 9.3506 9.3506 k = 0.0513 0.0888 0.3140 ( 1866 PWs) bands (ev): 4.4632 4.4632 4.4635 4.4635 8.2533 8.2533 8.2541 8.2541 9.0898 9.0898 9.0943 9.0943 9.3126 9.3126 9.3171 9.3171 k = 0.0462 0.0799 0.3140 ( 1866 PWs) bands (ev): 4.4285 4.4285 4.4287 4.4287 8.2857 8.2857 8.2863 8.2863 9.0989 9.0989 9.1030 9.1030 9.2829 9.2829 9.2869 9.2869 k = 0.0410 0.0711 0.3140 ( 1870 PWs) bands (ev): 4.3970 4.3970 4.3972 4.3972 8.3163 8.3163 8.3167 8.3167 9.1057 9.1057 9.1093 9.1093 9.2568 9.2568 9.2603 9.2603 k = 0.0359 0.0622 0.3140 ( 1870 PWs) bands (ev): 4.3690 4.3690 4.3691 4.3691 8.3445 8.3445 8.3449 8.3449 9.1101 9.1101 9.1131 9.1131 9.2346 9.2346 9.2376 9.2376 k = 0.0308 0.0533 0.3140 ( 1862 PWs) bands (ev): 4.3444 4.3444 4.3446 4.3446 8.3702 8.3702 8.3704 8.3704 9.1121 9.1121 9.1145 9.1145 9.2165 9.2165 9.2188 9.2188 k = 0.0256 0.0444 0.3140 ( 1854 PWs) bands (ev): 4.3235 4.3235 4.3236 4.3236 8.3927 8.3927 8.3929 8.3929 9.1121 9.1121 9.1137 9.1137 9.2025 9.2025 9.2041 9.2041 k = 0.0205 0.0355 0.3140 ( 1850 PWs) bands (ev): 4.3062 4.3062 4.3064 4.3064 8.4118 8.4118 8.4119 8.4119 9.1104 9.1104 9.1113 9.1113 9.1924 9.1924 9.1933 9.1933 k = 0.0154 0.0266 0.3140 ( 1850 PWs) bands (ev): 4.2928 4.2928 4.2929 4.2929 8.4271 8.4271 8.4272 8.4272 9.1077 9.1077 9.1081 9.1081 9.1854 9.1854 9.1858 9.1859 k = 0.0103 0.0178 0.3140 ( 1846 PWs) bands (ev): 4.2831 4.2831 4.2832 4.2832 8.4383 8.4383 8.4384 8.4384 9.1049 9.1049 9.1051 9.1051 9.1810 9.1810 9.1812 9.1812 k = 0.0051 0.0089 0.3140 ( 1846 PWs) bands (ev): 4.2773 4.2773 4.2774 4.2774 8.4451 8.4451 8.4452 8.4452 9.1029 9.1029 9.1029 9.1029 9.1786 9.1786 9.1786 9.1786 k = 0.0000 0.0000 0.3140 ( 1846 PWs) bands (ev): 4.2753 4.2753 4.2755 4.2755 8.4474 8.4474 8.4474 8.4474 9.1022 9.1022 9.1022 9.1022 9.1778 9.1778 9.1778 9.1778 k = 0.5000 0.2887 0.3140 ( 1892 PWs) bands (ev): 5.5168 5.5168 5.5168 5.5168 7.3586 7.3586 7.3586 7.3586 9.9877 9.9877 9.9877 9.9877 10.6529 10.6529 10.6530 10.6530 k = 0.5000 0.2887 0.3038 ( 1890 PWs) bands (ev): 5.4879 5.4879 5.5476 5.5476 7.3264 7.3264 7.3896 7.3896 9.9284 9.9284 10.0445 10.0445 10.5495 10.5495 10.7591 10.7591 k = 0.5000 0.2887 0.2937 ( 1882 PWs) bands (ev): 5.4610 5.4610 5.5799 5.5799 7.2938 7.2938 7.4185 7.4185 9.8681 9.8681 10.0972 10.0972 10.4491 10.4491 10.8677 10.8677 k = 0.5000 0.2887 0.2836 ( 1886 PWs) bands (ev): 5.4363 5.4363 5.6133 5.6133 7.2618 7.2618 7.4443 7.4443 9.8082 9.8082 10.1437 10.1437 10.3527 10.3527 10.9786 10.9786 k = 0.5000 0.2887 0.2735 ( 1878 PWs) bands (ev): 5.4142 5.4142 5.6474 5.6474 7.2312 7.2312 7.4661 7.4661 9.7500 9.7500 10.1768 10.1768 10.2666 10.2666 11.0917 11.0917 k = 0.5000 0.2887 0.2633 ( 1878 PWs) bands (ev): 5.3948 5.3948 5.6819 5.6819 7.2028 7.2028 7.4828 7.4828 9.6950 9.6950 10.1446 10.1446 10.2415 10.2415 11.2067 11.2067 k = 0.5000 0.2887 0.2532 ( 1884 PWs) bands (ev): 5.3781 5.3781 5.7160 5.7160 7.1774 7.1774 7.4934 7.4934 9.6445 9.6445 10.0625 10.0625 10.2615 10.2615 11.3235 11.3235 k = 0.5000 0.2887 0.2431 ( 1884 PWs) bands (ev): 5.3643 5.3643 5.7492 5.7492 7.1560 7.1560 7.4971 7.4971 9.5995 9.5995 9.9778 9.9778 10.2785 10.2785 11.4419 11.4419 k = 0.5000 0.2887 0.2329 ( 1880 PWs) bands (ev): 5.3536 5.3536 5.7810 5.7810 7.1392 7.1392 7.4931 7.4931 9.5609 9.5609 9.8953 9.8953 10.2876 10.2876 11.5617 11.5617 k = 0.5000 0.2887 0.2228 ( 1880 PWs) bands (ev): 5.3459 5.3459 5.8105 5.8105 7.1280 7.1280 7.4809 7.4809 9.5295 9.5295 9.8159 9.8159 10.2878 10.2878 11.6827 11.6827 k = 0.5000 0.2887 0.2127 ( 1880 PWs) bands (ev): 5.3414 5.3414 5.8373 5.8373 7.1231 7.1231 7.4602 7.4602 9.5051 9.5051 9.7402 9.7402 10.2788 10.2788 11.8046 11.8046 k = 0.5000 0.2887 0.2026 ( 1872 PWs) bands (ev): 5.3402 5.3402 5.8606 5.8606 7.1251 7.1251 7.4310 7.4310 9.4874 9.4874 9.6690 9.6690 10.2608 10.2608 11.9271 11.9271 k = 0.5000 0.2887 0.1924 ( 1876 PWs) bands (ev): 5.3421 5.3421 5.8801 5.8801 7.1345 7.1345 7.3937 7.3937 9.4740 9.4740 9.6044 9.6044 10.2341 10.2341 12.0499 12.0499 k = 0.5000 0.2887 0.1823 ( 1876 PWs) bands (ev): 5.3474 5.3474 5.8955 5.8955 7.1515 7.1515 7.3489 7.3489 9.4577 9.4577 9.5532 9.5532 10.1993 10.1993 12.1726 12.1726 k = 0.5000 0.2887 0.1722 ( 1872 PWs) bands (ev): 5.3559 5.3559 5.9066 5.9066 7.1757 7.1757 7.2978 7.2978 9.4247 9.4247 9.5284 9.5284 10.1570 10.1570 12.2947 12.2947 k = 0.5000 0.2887 0.1620 ( 1880 PWs) bands (ev): 5.3678 5.3678 5.9137 5.9137 7.2027 7.2027 7.2456 7.2456 9.3764 9.3764 9.5280 9.5280 10.1078 10.1078 12.4159 12.4159 k = 0.5000 0.2887 0.1519 ( 1880 PWs) bands (ev): 5.3829 5.3829 5.9171 5.9171 7.1709 7.1709 7.2543 7.2543 9.3243 9.3243 9.5394 9.5394 10.0527 10.0527 12.5354 12.5354 k = 0.5000 0.2887 0.1418 ( 1880 PWs) bands (ev): 5.4013 5.4013 5.9172 5.9172 7.1058 7.1058 7.2987 7.2987 9.2731 9.2731 9.5569 9.5569 9.9922 9.9922 12.6526 12.6526 k = 0.5000 0.2887 0.1317 ( 1880 PWs) bands (ev): 5.4230 5.4230 5.9146 5.9146 7.0362 7.0362 7.3504 7.3504 9.2243 9.2243 9.5780 9.5780 9.9274 9.9274 12.7665 12.7665 k = 0.5000 0.2887 0.1215 ( 1880 PWs) bands (ev): 5.4478 5.4478 5.9099 5.9099 6.9639 6.9639 7.4075 7.4075 9.1786 9.1786 9.6012 9.6012 9.8590 9.8590 12.8760 12.8760 k = 0.5000 0.2887 0.1114 ( 1886 PWs) bands (ev): 5.4756 5.4756 5.9035 5.9035 6.8900 6.8900 7.4688 7.4688 9.1361 9.1361 9.6250 9.6250 9.7883 9.7883 12.9795 12.9795 k = 0.5000 0.2887 0.1013 ( 1886 PWs) bands (ev): 5.5064 5.5064 5.8962 5.8962 6.8153 6.8153 7.5333 7.5333 9.0972 9.0972 9.6463 9.6463 9.7185 9.7185 13.0745 13.0745 k = 0.5000 0.2887 0.0912 ( 1886 PWs) bands (ev): 5.5401 5.5401 5.8883 5.8883 6.7406 6.7406 7.6000 7.6000 9.0618 9.0618 9.6283 9.6283 9.6864 9.6864 13.1574 13.1574 k = 0.5000 0.2887 0.0810 ( 1890 PWs) bands (ev): 5.5763 5.5763 5.8802 5.8802 6.6665 6.6665 7.6679 7.6679 9.0300 9.0300 9.5590 9.5590 9.7044 9.7044 13.2236 13.2236 k = 0.5000 0.2887 0.0709 ( 1890 PWs) bands (ev): 5.6147 5.6147 5.8724 5.8724 6.5937 6.5937 7.7356 7.7356 9.0018 9.0018 9.4864 9.4864 9.7254 9.7254 13.2699 13.2699 k = 0.5000 0.2887 0.0608 ( 1898 PWs) bands (ev): 5.6549 5.6549 5.8650 5.8650 6.5231 6.5231 7.8018 7.8018 8.9773 8.9773 9.4154 9.4154 9.7450 9.7450 13.2981 13.2981 k = 0.5000 0.2887 0.0506 ( 1896 PWs) bands (ev): 5.6962 5.6962 5.8584 5.8584 6.4557 6.4557 7.8647 7.8647 8.9565 8.9565 9.3484 9.3484 9.7624 9.7624 13.3142 13.3142 k = 0.5000 0.2887 0.0405 ( 1894 PWs) bands (ev): 5.7375 5.7375 5.8528 5.8528 6.3928 6.3928 7.9222 7.9222 8.9394 8.9394 9.2877 9.2877 9.7771 9.7771 13.3233 13.3233 k = 0.5000 0.2887 0.0304 ( 1890 PWs) bands (ev): 5.7767 5.7767 5.8482 5.8482 6.3366 6.3366 7.9716 7.9716 8.9261 8.9261 9.2356 9.2356 9.7889 9.7889 13.3284 13.3284 k = 0.5000 0.2887 0.0203 ( 1890 PWs) bands (ev): 5.8109 5.8109 5.8449 5.8449 6.2902 6.2902 8.0102 8.0102 8.9165 8.9165 9.1953 9.1953 9.7975 9.7975 13.3313 13.3313 k = 0.5000 0.2887 0.0101 ( 1890 PWs) bands (ev): 5.8352 5.8352 5.8428 5.8428 6.2585 6.2585 8.0348 8.0348 8.9108 8.9108 9.1696 9.1696 9.8027 9.8027 13.3328 13.3328 k = 0.5000 0.2887-0.0000 ( 1890 PWs) bands (ev): 5.8422 5.8422 5.8442 5.8442 6.2470 6.2470 8.0433 8.0433 8.9088 8.9088 9.1608 9.1608 9.8044 9.8044 13.3332 13.3332 k = 0.3333 0.5774-0.0000 ( 1887 PWs) bands (ev): 6.3386 6.3386 6.9204 6.9204 6.9967 6.9967 7.1276 7.1276 8.6366 8.6366 8.6739 8.6739 10.1881 10.1881 12.7588 12.7588 k = 0.3333 0.5774 0.0101 ( 1887 PWs) bands (ev): 6.3398 6.3398 6.9206 6.9206 6.9968 6.9968 7.1279 7.1279 8.6356 8.6356 8.6728 8.6728 10.1878 10.1878 12.7598 12.7599 k = 0.3333 0.5774 0.0203 ( 1887 PWs) bands (ev): 6.3435 6.3435 6.9211 6.9211 6.9970 6.9970 7.1286 7.1286 8.6324 8.6324 8.6697 8.6697 10.1867 10.1867 12.7629 12.7629 k = 0.3333 0.5774 0.0304 ( 1878 PWs) bands (ev): 6.3497 6.3497 6.9220 6.9220 6.9973 6.9973 7.1298 7.1298 8.6271 8.6271 8.6645 8.6645 10.1848 10.1848 12.7680 12.7680 k = 0.3333 0.5774 0.0405 ( 1878 PWs) bands (ev): 6.3583 6.3583 6.9233 6.9233 6.9978 6.9978 7.1315 7.1315 8.6198 8.6198 8.6573 8.6573 10.1824 10.1824 12.7748 12.7748 k = 0.3333 0.5774 0.0506 ( 1890 PWs) bands (ev): 6.3694 6.3694 6.9248 6.9248 6.9983 6.9983 7.1336 7.1336 8.6107 8.6107 8.6483 8.6483 10.1793 10.1793 12.7830 12.7831 k = 0.3333 0.5774 0.0608 ( 1890 PWs) bands (ev): 6.3827 6.3827 6.9267 6.9267 6.9990 6.9990 7.1361 7.1361 8.5998 8.5998 8.6376 8.6376 10.1757 10.1757 12.7915 12.7915 k = 0.3333 0.5774 0.0709 ( 1893 PWs) bands (ev): 6.3983 6.3983 6.9289 6.9289 6.9997 6.9997 7.1390 7.1390 8.5874 8.5874 8.6254 8.6254 10.1718 10.1718 12.7832 12.7833 k = 0.3333 0.5774 0.0810 ( 1887 PWs) bands (ev): 6.4161 6.4161 6.9313 6.9313 7.0005 7.0005 7.1421 7.1421 8.5736 8.5736 8.6119 8.6119 10.1675 10.1675 12.6972 12.6972 k = 0.3333 0.5774 0.0912 ( 1887 PWs) bands (ev): 6.4360 6.4360 6.9339 6.9339 7.0013 7.0013 7.1455 7.1455 8.5585 8.5585 8.5973 8.5973 10.1632 10.1632 12.5967 12.5967 k = 0.3333 0.5774 0.1013 ( 1875 PWs) bands (ev): 6.4579 6.4579 6.9368 6.9368 7.0021 7.0021 7.1491 7.1491 8.5425 8.5425 8.5818 8.5818 10.1589 10.1589 12.4913 12.4913 k = 0.3333 0.5774 0.1114 ( 1887 PWs) bands (ev): 6.4817 6.4817 6.9398 6.9398 7.0030 7.0030 7.1528 7.1528 8.5256 8.5256 8.5656 8.5656 10.1547 10.1547 12.3824 12.3824 k = 0.3333 0.5774 0.1215 ( 1887 PWs) bands (ev): 6.5072 6.5072 6.9430 6.9430 7.0038 7.0038 7.1565 7.1565 8.5082 8.5082 8.5489 8.5489 10.1510 10.1510 12.2713 12.2713 k = 0.3333 0.5774 0.1317 ( 1887 PWs) bands (ev): 6.5344 6.5344 6.9462 6.9462 7.0045 7.0045 7.1601 7.1601 8.4904 8.4904 8.5320 8.5320 10.1479 10.1479 12.1588 12.1588 k = 0.3333 0.5774 0.1418 ( 1881 PWs) bands (ev): 6.5629 6.5629 6.9495 6.9495 7.0052 7.0052 7.1636 7.1636 8.4725 8.4725 8.5150 8.5150 10.1456 10.1456 12.0458 12.0458 k = 0.3333 0.5774 0.1519 ( 1875 PWs) bands (ev): 6.5927 6.5927 6.9528 6.9528 7.0059 7.0059 7.1668 7.1668 8.4546 8.4546 8.4981 8.4981 10.1445 10.1445 11.9330 11.9330 k = 0.3333 0.5774 0.1620 ( 1869 PWs) bands (ev): 6.6236 6.6236 6.9561 6.9561 7.0064 7.0064 7.1696 7.1696 8.4369 8.4369 8.4816 8.4816 10.1446 10.1446 11.8208 11.8208 k = 0.3333 0.5774 0.1722 ( 1872 PWs) bands (ev): 6.6554 6.6554 6.9594 6.9594 7.0069 7.0069 7.1718 7.1718 8.4196 8.4196 8.4655 8.4655 10.1464 10.1464 11.7100 11.7100 k = 0.3333 0.5774 0.1823 ( 1872 PWs) bands (ev): 6.6878 6.6878 6.9626 6.9626 7.0073 7.0073 7.1734 7.1734 8.4028 8.4028 8.4501 8.4501 10.1500 10.1500 11.6009 11.6009 k = 0.3333 0.5774 0.1924 ( 1872 PWs) bands (ev): 6.7206 6.7206 6.9656 6.9656 7.0075 7.0075 7.1742 7.1742 8.3867 8.3867 8.4354 8.4354 10.1558 10.1558 11.4940 11.4940 k = 0.3333 0.5774 0.2026 ( 1872 PWs) bands (ev): 6.7536 6.7536 6.9685 6.9685 7.0077 7.0077 7.1742 7.1742 8.3715 8.3715 8.4216 8.4216 10.1640 10.1640 11.3898 11.3898 k = 0.3333 0.5774 0.2127 ( 1875 PWs) bands (ev): 6.7866 6.7866 6.9712 6.9712 7.0078 7.0078 7.1730 7.1730 8.3573 8.3573 8.4087 8.4087 10.1750 10.1750 11.2886 11.2886 k = 0.3333 0.5774 0.2228 ( 1881 PWs) bands (ev): 6.8192 6.8192 6.9738 6.9738 7.0078 7.0078 7.1707 7.1707 8.3441 8.3441 8.3969 8.3969 10.1890 10.1890 11.1907 11.1907 k = 0.3333 0.5774 0.2329 ( 1881 PWs) bands (ev): 6.8513 6.8513 6.9761 6.9761 7.0078 7.0078 7.1670 7.1670 8.3321 8.3321 8.3862 8.3862 10.2063 10.2063 11.0965 11.0965 k = 0.3333 0.5774 0.2431 ( 1881 PWs) bands (ev): 6.8825 6.8825 6.9782 6.9782 7.0077 7.0077 7.1619 7.1619 8.3213 8.3213 8.3766 8.3766 10.2272 10.2272 11.0062 11.0062 k = 0.3333 0.5774 0.2532 ( 1875 PWs) bands (ev): 6.9126 6.9126 6.9800 6.9800 7.0075 7.0075 7.1553 7.1553 8.3118 8.3118 8.3683 8.3683 10.2520 10.2520 10.9202 10.9202 k = 0.3333 0.5774 0.2633 ( 1875 PWs) bands (ev): 6.9412 6.9412 6.9815 6.9815 7.0074 7.0074 7.1471 7.1471 8.3037 8.3037 8.3612 8.3612 10.2808 10.2808 10.8388 10.8388 k = 0.3333 0.5774 0.2735 ( 1884 PWs) bands (ev): 6.9682 6.9682 6.9828 6.9828 7.0073 7.0073 7.1374 7.1374 8.2971 8.2971 8.3554 8.3554 10.3137 10.3137 10.7621 10.7621 k = 0.3333 0.5774 0.2836 ( 1878 PWs) bands (ev): 6.9838 6.9838 6.9929 6.9929 7.0072 7.0072 7.1264 7.1264 8.2918 8.2918 8.3508 8.3508 10.3508 10.3508 10.6906 10.6906 k = 0.3333 0.5774 0.2937 ( 1884 PWs) bands (ev): 6.9846 6.9846 7.0070 7.0070 7.0146 7.0146 7.1147 7.1147 8.2881 8.2881 8.3475 8.3475 10.3917 10.3917 10.6249 10.6249 k = 0.3333 0.5774 0.3038 ( 1884 PWs) bands (ev): 6.9850 6.9850 7.0070 7.0070 7.0313 7.0313 7.1040 7.1040 8.2858 8.2858 8.3456 8.3456 10.4341 10.4341 10.5675 10.5676 k = 0.3333 0.5774 0.3140 ( 1884 PWs) bands (ev): 6.9852 6.9852 7.0069 7.0069 7.0382 7.0382 7.0992 7.0992 8.2850 8.2850 8.3449 8.3449 10.4609 10.4609 10.5358 10.5358 Writing output data file Zr.save init_run : 0.17s CPU 0.52s WALL ( 1 calls) electrons : 39.01s CPU 43.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 39.01s CPU 43.20s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 412 calls) cegterg : 34.24s CPU 35.10s WALL ( 580 calls) Called by sum_band: Called by *egterg: h_psi : 19.80s CPU 20.42s WALL ( 9301 calls) g_psi : 0.04s CPU 0.06s WALL ( 8309 calls) cdiaghg : 15.32s CPU 15.35s WALL ( 8721 calls) cegterg:over : 0.93s CPU 1.04s WALL ( 8309 calls) cegterg:upda : 0.80s CPU 0.79s WALL ( 8309 calls) cegterg:last : 0.26s CPU 0.35s WALL ( 1863 calls) cdiaghg:chol : 0.84s CPU 0.87s WALL ( 8721 calls) cdiaghg:inve : 0.19s CPU 0.19s WALL ( 8721 calls) cdiaghg:para : 1.06s CPU 1.11s WALL ( 17442 calls) Called by h_psi: h_psi:vloc : 18.83s CPU 19.48s WALL ( 9301 calls) h_psi:vnl : 0.93s CPU 0.91s WALL ( 9301 calls) add_vuspsi : 0.43s CPU 0.34s WALL ( 9301 calls) General routines calbec : 0.48s CPU 0.55s WALL ( 9301 calls) fft : 0.00s CPU 0.00s WALL ( 14 calls) fftw : 17.96s CPU 18.57s WALL ( 388152 calls) davcio : 0.08s CPU 0.08s WALL ( 824 calls) Parallel routines fft_scatter : 7.70s CPU 8.15s WALL ( 388166 calls) PWSCF : 0m44.23s CPU 1m55.97s WALL This run was terminated on: 21:20: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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