Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31: 3 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PtN2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 9 3 745 185 32 Max 24 10 5 749 198 37 Sum 1111 451 151 35887 9229 1643 bravais-lattice index = 14 lattice parameter (alat) = 6.0979 a.u. unit-cell volume = 235.3877 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.097919 celldm(2)= 1.000000 celldm(3)= 1.198693 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 1.198693 ) 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 0.834242 ) PseudoPot. # 1 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pt 10.00 195.08400 Pt( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 442 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 2) = ( 0.0087719 0.0050645 -0.0000000), wk = 0.0022624 k( 3) = ( 0.0175439 0.0101290 -0.0000000), wk = 0.0022624 k( 4) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0022624 k( 5) = ( 0.0350877 0.0202579 -0.0000000), wk = 0.0022624 k( 6) = ( 0.0438597 0.0253224 -0.0000000), wk = 0.0022624 k( 7) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0022624 k( 8) = ( 0.0614035 0.0354513 -0.0000000), wk = 0.0022624 k( 9) = ( 0.0701754 0.0405158 -0.0000000), wk = 0.0022624 k( 10) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0022624 k( 11) = ( 0.0877193 0.0506448 -0.0000000), wk = 0.0022624 k( 12) = ( 0.0964912 0.0557092 -0.0000000), wk = 0.0022624 k( 13) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0022624 k( 14) = ( 0.1140351 0.0658382 -0.0000000), wk = 0.0022624 k( 15) = ( 0.1228070 0.0709027 -0.0000000), wk = 0.0022624 k( 16) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0022624 k( 17) = ( 0.1403509 0.0810316 -0.0000000), wk = 0.0022624 k( 18) = ( 0.1491228 0.0860961 -0.0000000), wk = 0.0022624 k( 19) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0022624 k( 20) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0022624 k( 21) = ( 0.1754386 0.1012895 -0.0000000), wk = 0.0022624 k( 22) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0022624 k( 23) = ( 0.1929825 0.1114185 -0.0000000), wk = 0.0022624 k( 24) = ( 0.2017544 0.1164830 -0.0000000), wk = 0.0022624 k( 25) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0022624 k( 26) = ( 0.2192983 0.1266119 -0.0000000), wk = 0.0022624 k( 27) = ( 0.2280702 0.1316764 -0.0000000), wk = 0.0022624 k( 28) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0022624 k( 29) = ( 0.2456140 0.1418053 -0.0000000), wk = 0.0022624 k( 30) = ( 0.2543860 0.1468698 -0.0000000), wk = 0.0022624 k( 31) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0022624 k( 32) = ( 0.2719298 0.1569988 -0.0000000), wk = 0.0022624 k( 33) = ( 0.2807018 0.1620632 -0.0000000), wk = 0.0022624 k( 34) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0022624 k( 35) = ( 0.2982456 0.1721922 -0.0000000), wk = 0.0022624 k( 36) = ( 0.3070175 0.1772567 -0.0000000), wk = 0.0022624 k( 37) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0022624 k( 38) = ( 0.3245614 0.1873856 -0.0000000), wk = 0.0022624 k( 39) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0022624 k( 40) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0022624 k( 41) = ( 0.3508772 0.2025790 -0.0000000), wk = 0.0022624 k( 42) = ( 0.3596491 0.2076435 -0.0000000), wk = 0.0022624 k( 43) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0022624 k( 44) = ( 0.3771930 0.2177725 -0.0000000), wk = 0.0022624 k( 45) = ( 0.3859649 0.2228369 -0.0000000), wk = 0.0022624 k( 46) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0022624 k( 47) = ( 0.4035088 0.2329659 -0.0000000), wk = 0.0022624 k( 48) = ( 0.4122807 0.2380304 -0.0000000), wk = 0.0022624 k( 49) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0022624 k( 50) = ( 0.4298246 0.2481593 -0.0000000), wk = 0.0022624 k( 51) = ( 0.4385965 0.2532238 -0.0000000), wk = 0.0022624 k( 52) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0022624 k( 53) = ( 0.4561404 0.2633528 -0.0000000), wk = 0.0022624 k( 54) = ( 0.4649123 0.2684172 -0.0000000), wk = 0.0022624 k( 55) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0022624 k( 56) = ( 0.4824561 0.2785462 -0.0000000), wk = 0.0022624 k( 57) = ( 0.4912281 0.2836107 -0.0000000), wk = 0.0022624 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022624 k( 59) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022624 k( 60) = ( 0.4949495 0.2974229 -0.0000000), wk = 0.0022624 k( 61) = ( 0.4898990 0.3061706 -0.0000000), wk = 0.0022624 k( 62) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0022624 k( 63) = ( 0.4797980 0.3236661 -0.0000000), wk = 0.0022624 k( 64) = ( 0.4747475 0.3324138 -0.0000000), wk = 0.0022624 k( 65) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0022624 k( 66) = ( 0.4646465 0.3499093 -0.0000000), wk = 0.0022624 k( 67) = ( 0.4595960 0.3586570 -0.0000000), wk = 0.0022624 k( 68) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0022624 k( 69) = ( 0.4494950 0.3761524 -0.0000000), wk = 0.0022624 k( 70) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0022624 k( 71) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0022624 k( 72) = ( 0.4343434 0.4023956 -0.0000000), wk = 0.0022624 k( 73) = ( 0.4292929 0.4111434 -0.0000000), wk = 0.0022624 k( 74) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0022624 k( 75) = ( 0.4191919 0.4286388 -0.0000000), wk = 0.0022624 k( 76) = ( 0.4141414 0.4373866 -0.0000000), wk = 0.0022624 k( 77) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0022624 k( 78) = ( 0.4040404 0.4548820 -0.0000000), wk = 0.0022624 k( 79) = ( 0.3989899 0.4636298 -0.0000000), wk = 0.0022624 k( 80) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0022624 k( 81) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0022624 k( 82) = ( 0.3838384 0.4898730 -0.0000000), wk = 0.0022624 k( 83) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0022624 k( 84) = ( 0.3737374 0.5073684 -0.0000000), wk = 0.0022624 k( 85) = ( 0.3686869 0.5161161 -0.0000000), wk = 0.0022624 k( 86) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0022624 k( 87) = ( 0.3585859 0.5336116 -0.0000000), wk = 0.0022624 k( 88) = ( 0.3535354 0.5423593 -0.0000000), wk = 0.0022624 k( 89) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0022624 k( 90) = ( 0.3434343 0.5598548 -0.0000000), wk = 0.0022624 k( 91) = ( 0.3383838 0.5686025 -0.0000000), wk = 0.0022624 k( 92) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022624 k( 93) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022624 k( 94) = ( 0.3282051 0.5684680 -0.0000000), wk = 0.0022624 k( 95) = ( 0.3230769 0.5595856 -0.0000000), wk = 0.0022624 k( 96) = ( 0.3179487 0.5507033 -0.0000000), wk = 0.0022624 k( 97) = ( 0.3128205 0.5418210 -0.0000000), wk = 0.0022624 k( 98) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0022624 k( 99) = ( 0.3025641 0.5240564 -0.0000000), wk = 0.0022624 k( 100) = ( 0.2974359 0.5151741 -0.0000000), wk = 0.0022624 k( 101) = ( 0.2923077 0.5062918 -0.0000000), wk = 0.0022624 k( 102) = ( 0.2871795 0.4974095 -0.0000000), wk = 0.0022624 k( 103) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0022624 k( 104) = ( 0.2769231 0.4796448 -0.0000000), wk = 0.0022624 k( 105) = ( 0.2717949 0.4707625 -0.0000000), wk = 0.0022624 k( 106) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0022624 k( 107) = ( 0.2615385 0.4529979 -0.0000000), wk = 0.0022624 k( 108) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0022624 k( 109) = ( 0.2512820 0.4352333 -0.0000000), wk = 0.0022624 k( 110) = ( 0.2461539 0.4263510 -0.0000000), wk = 0.0022624 k( 111) = ( 0.2410256 0.4174687 -0.0000000), wk = 0.0022624 k( 112) = ( 0.2358974 0.4085864 -0.0000000), wk = 0.0022624 k( 113) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0022624 k( 114) = ( 0.2256410 0.3908217 -0.0000000), wk = 0.0022624 k( 115) = ( 0.2205128 0.3819394 -0.0000000), wk = 0.0022624 k( 116) = ( 0.2153846 0.3730571 -0.0000000), wk = 0.0022624 k( 117) = ( 0.2102564 0.3641748 -0.0000000), wk = 0.0022624 k( 118) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0022624 k( 119) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0022624 k( 120) = ( 0.1948718 0.3375278 -0.0000000), wk = 0.0022624 k( 121) = ( 0.1897436 0.3286455 -0.0000000), wk = 0.0022624 k( 122) = ( 0.1846154 0.3197632 -0.0000000), wk = 0.0022624 k( 123) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0022624 k( 124) = ( 0.1743590 0.3019986 -0.0000000), wk = 0.0022624 k( 125) = ( 0.1692308 0.2931163 -0.0000000), wk = 0.0022624 k( 126) = ( 0.1641026 0.2842340 -0.0000000), wk = 0.0022624 k( 127) = ( 0.1589744 0.2753517 -0.0000000), wk = 0.0022624 k( 128) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0022624 k( 129) = ( 0.1487179 0.2575870 -0.0000000), wk = 0.0022624 k( 130) = ( 0.1435897 0.2487047 -0.0000000), wk = 0.0022624 k( 131) = ( 0.1384615 0.2398224 -0.0000000), wk = 0.0022624 k( 132) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0022624 k( 133) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0022624 k( 134) = ( 0.1230769 0.2131755 -0.0000000), wk = 0.0022624 k( 135) = ( 0.1179487 0.2042932 -0.0000000), wk = 0.0022624 k( 136) = ( 0.1128205 0.1954109 -0.0000000), wk = 0.0022624 k( 137) = ( 0.1076923 0.1865286 -0.0000000), wk = 0.0022624 k( 138) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0022624 k( 139) = ( 0.0974359 0.1687639 -0.0000000), wk = 0.0022624 k( 140) = ( 0.0923077 0.1598816 -0.0000000), wk = 0.0022624 k( 141) = ( 0.0871795 0.1509993 -0.0000000), wk = 0.0022624 k( 142) = ( 0.0820513 0.1421170 -0.0000000), wk = 0.0022624 k( 143) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0022624 k( 144) = ( 0.0717949 0.1243524 -0.0000000), wk = 0.0022624 k( 145) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0022624 k( 146) = ( 0.0615385 0.1065877 -0.0000000), wk = 0.0022624 k( 147) = ( 0.0564103 0.0977054 -0.0000000), wk = 0.0022624 k( 148) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0022624 k( 149) = ( 0.0461539 0.0799408 -0.0000000), wk = 0.0022624 k( 150) = ( 0.0410256 0.0710585 -0.0000000), wk = 0.0022624 k( 151) = ( 0.0358974 0.0621762 -0.0000000), wk = 0.0022624 k( 152) = ( 0.0307692 0.0532939 -0.0000000), wk = 0.0022624 k( 153) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0022624 k( 154) = ( 0.0205128 0.0355292 -0.0000000), wk = 0.0022624 k( 155) = ( 0.0153846 0.0266469 -0.0000000), wk = 0.0022624 k( 156) = ( 0.0102564 0.0177646 -0.0000000), wk = 0.0022624 k( 157) = ( 0.0051282 0.0088823 -0.0000000), wk = 0.0022624 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 160) = ( 0.0000000 0.0000000 0.0101737), wk = 0.0022624 k( 161) = ( 0.0000000 0.0000000 0.0203474), wk = 0.0022624 k( 162) = ( 0.0000000 0.0000000 0.0305210), wk = 0.0022624 k( 163) = ( 0.0000000 0.0000000 0.0406947), wk = 0.0022624 k( 164) = ( 0.0000000 0.0000000 0.0508684), wk = 0.0022624 k( 165) = ( 0.0000000 0.0000000 0.0610421), wk = 0.0022624 k( 166) = ( 0.0000000 0.0000000 0.0712157), wk = 0.0022624 k( 167) = ( 0.0000000 0.0000000 0.0813894), wk = 0.0022624 k( 168) = ( 0.0000000 0.0000000 0.0915631), wk = 0.0022624 k( 169) = ( 0.0000000 0.0000000 0.1017368), wk = 0.0022624 k( 170) = ( 0.0000000 0.0000000 0.1119105), wk = 0.0022624 k( 171) = ( 0.0000000 0.0000000 0.1220841), wk = 0.0022624 k( 172) = ( 0.0000000 0.0000000 0.1322578), wk = 0.0022624 k( 173) = ( 0.0000000 0.0000000 0.1424315), wk = 0.0022624 k( 174) = ( 0.0000000 0.0000000 0.1526052), wk = 0.0022624 k( 175) = ( 0.0000000 0.0000000 0.1627789), wk = 0.0022624 k( 176) = ( 0.0000000 0.0000000 0.1729525), wk = 0.0022624 k( 177) = ( 0.0000000 0.0000000 0.1831262), wk = 0.0022624 k( 178) = ( 0.0000000 0.0000000 0.1932999), wk = 0.0022624 k( 179) = ( 0.0000000 0.0000000 0.2034736), wk = 0.0022624 k( 180) = ( 0.0000000 0.0000000 0.2136472), wk = 0.0022624 k( 181) = ( 0.0000000 0.0000000 0.2238209), wk = 0.0022624 k( 182) = ( 0.0000000 0.0000000 0.2339946), wk = 0.0022624 k( 183) = ( 0.0000000 0.0000000 0.2441683), wk = 0.0022624 k( 184) = ( 0.0000000 0.0000000 0.2543420), wk = 0.0022624 k( 185) = ( 0.0000000 0.0000000 0.2645156), wk = 0.0022624 k( 186) = ( 0.0000000 0.0000000 0.2746893), wk = 0.0022624 k( 187) = ( 0.0000000 0.0000000 0.2848630), wk = 0.0022624 k( 188) = ( 0.0000000 0.0000000 0.2950367), wk = 0.0022624 k( 189) = ( 0.0000000 0.0000000 0.3052104), wk = 0.0022624 k( 190) = ( 0.0000000 0.0000000 0.3153840), wk = 0.0022624 k( 191) = ( 0.0000000 0.0000000 0.3255577), wk = 0.0022624 k( 192) = ( 0.0000000 0.0000000 0.3357314), wk = 0.0022624 k( 193) = ( 0.0000000 0.0000000 0.3459051), wk = 0.0022624 k( 194) = ( 0.0000000 0.0000000 0.3560787), wk = 0.0022624 k( 195) = ( 0.0000000 0.0000000 0.3662524), wk = 0.0022624 k( 196) = ( 0.0000000 0.0000000 0.3764261), wk = 0.0022624 k( 197) = ( 0.0000000 0.0000000 0.3865998), wk = 0.0022624 k( 198) = ( 0.0000000 0.0000000 0.3967735), wk = 0.0022624 k( 199) = ( 0.0000000 0.0000000 0.4069471), wk = 0.0022624 k( 200) = ( 0.0000000 0.0000000 0.4171208), wk = 0.0022624 k( 201) = ( 0.0000000 0.0000000 0.4171208), wk = 0.0022624 k( 202) = ( 0.0087719 0.0050645 0.4171208), wk = 0.0022624 k( 203) = ( 0.0175439 0.0101290 0.4171208), wk = 0.0022624 k( 204) = ( 0.0263158 0.0151934 0.4171208), wk = 0.0022624 k( 205) = ( 0.0350877 0.0202579 0.4171208), wk = 0.0022624 k( 206) = ( 0.0438597 0.0253224 0.4171208), wk = 0.0022624 k( 207) = ( 0.0526316 0.0303869 0.4171208), wk = 0.0022624 k( 208) = ( 0.0614035 0.0354513 0.4171208), wk = 0.0022624 k( 209) = ( 0.0701754 0.0405158 0.4171208), wk = 0.0022624 k( 210) = ( 0.0789474 0.0455803 0.4171208), wk = 0.0022624 k( 211) = ( 0.0877193 0.0506448 0.4171208), wk = 0.0022624 k( 212) = ( 0.0964912 0.0557092 0.4171208), wk = 0.0022624 k( 213) = ( 0.1052632 0.0607737 0.4171208), wk = 0.0022624 k( 214) = ( 0.1140351 0.0658382 0.4171208), wk = 0.0022624 k( 215) = ( 0.1228070 0.0709027 0.4171208), wk = 0.0022624 k( 216) = ( 0.1315790 0.0759671 0.4171208), wk = 0.0022624 k( 217) = ( 0.1403509 0.0810316 0.4171208), wk = 0.0022624 k( 218) = ( 0.1491228 0.0860961 0.4171208), wk = 0.0022624 k( 219) = ( 0.1578947 0.0911606 0.4171208), wk = 0.0022624 k( 220) = ( 0.1666667 0.0962250 0.4171208), wk = 0.0022624 k( 221) = ( 0.1754386 0.1012895 0.4171208), wk = 0.0022624 k( 222) = ( 0.1842105 0.1063540 0.4171208), wk = 0.0022624 k( 223) = ( 0.1929825 0.1114185 0.4171208), wk = 0.0022624 k( 224) = ( 0.2017544 0.1164830 0.4171208), wk = 0.0022624 k( 225) = ( 0.2105263 0.1215474 0.4171208), wk = 0.0022624 k( 226) = ( 0.2192983 0.1266119 0.4171208), wk = 0.0022624 k( 227) = ( 0.2280702 0.1316764 0.4171208), wk = 0.0022624 k( 228) = ( 0.2368421 0.1367409 0.4171208), wk = 0.0022624 k( 229) = ( 0.2456140 0.1418053 0.4171208), wk = 0.0022624 k( 230) = ( 0.2543860 0.1468698 0.4171208), wk = 0.0022624 k( 231) = ( 0.2631579 0.1519343 0.4171208), wk = 0.0022624 k( 232) = ( 0.2719298 0.1569988 0.4171208), wk = 0.0022624 k( 233) = ( 0.2807018 0.1620632 0.4171208), wk = 0.0022624 k( 234) = ( 0.2894737 0.1671277 0.4171208), wk = 0.0022624 k( 235) = ( 0.2982456 0.1721922 0.4171208), wk = 0.0022624 k( 236) = ( 0.3070175 0.1772567 0.4171208), wk = 0.0022624 k( 237) = ( 0.3157895 0.1823211 0.4171208), wk = 0.0022624 k( 238) = ( 0.3245614 0.1873856 0.4171208), wk = 0.0022624 k( 239) = ( 0.3333333 0.1924501 0.4171208), wk = 0.0022624 k( 240) = ( 0.3421053 0.1975146 0.4171208), wk = 0.0022624 k( 241) = ( 0.3508772 0.2025790 0.4171208), wk = 0.0022624 k( 242) = ( 0.3596491 0.2076435 0.4171208), wk = 0.0022624 k( 243) = ( 0.3684211 0.2127080 0.4171208), wk = 0.0022624 k( 244) = ( 0.3771930 0.2177725 0.4171208), wk = 0.0022624 k( 245) = ( 0.3859649 0.2228369 0.4171208), wk = 0.0022624 k( 246) = ( 0.3947368 0.2279014 0.4171208), wk = 0.0022624 k( 247) = ( 0.4035088 0.2329659 0.4171208), wk = 0.0022624 k( 248) = ( 0.4122807 0.2380304 0.4171208), wk = 0.0022624 k( 249) = ( 0.4210526 0.2430948 0.4171208), wk = 0.0022624 k( 250) = ( 0.4298246 0.2481593 0.4171208), wk = 0.0022624 k( 251) = ( 0.4385965 0.2532238 0.4171208), wk = 0.0022624 k( 252) = ( 0.4473684 0.2582883 0.4171208), wk = 0.0022624 k( 253) = ( 0.4561404 0.2633528 0.4171208), wk = 0.0022624 k( 254) = ( 0.4649123 0.2684172 0.4171208), wk = 0.0022624 k( 255) = ( 0.4736842 0.2734817 0.4171208), wk = 0.0022624 k( 256) = ( 0.4824561 0.2785462 0.4171208), wk = 0.0022624 k( 257) = ( 0.4912281 0.2836107 0.4171208), wk = 0.0022624 k( 258) = ( 0.5000000 0.2886751 0.4171208), wk = 0.0022624 k( 259) = ( 0.5000000 0.2886751 0.4171208), wk = 0.0022624 k( 260) = ( 0.4949495 0.2974229 0.4171208), wk = 0.0022624 k( 261) = ( 0.4898990 0.3061706 0.4171208), wk = 0.0022624 k( 262) = ( 0.4848485 0.3149183 0.4171208), wk = 0.0022624 k( 263) = ( 0.4797980 0.3236661 0.4171208), wk = 0.0022624 k( 264) = ( 0.4747475 0.3324138 0.4171208), wk = 0.0022624 k( 265) = ( 0.4696970 0.3411615 0.4171208), wk = 0.0022624 k( 266) = ( 0.4646465 0.3499093 0.4171208), wk = 0.0022624 k( 267) = ( 0.4595960 0.3586570 0.4171208), wk = 0.0022624 k( 268) = ( 0.4545455 0.3674047 0.4171208), wk = 0.0022624 k( 269) = ( 0.4494950 0.3761524 0.4171208), wk = 0.0022624 k( 270) = ( 0.4444444 0.3849002 0.4171208), wk = 0.0022624 k( 271) = ( 0.4393939 0.3936479 0.4171208), wk = 0.0022624 k( 272) = ( 0.4343434 0.4023956 0.4171208), wk = 0.0022624 k( 273) = ( 0.4292929 0.4111434 0.4171208), wk = 0.0022624 k( 274) = ( 0.4242424 0.4198911 0.4171208), wk = 0.0022624 k( 275) = ( 0.4191919 0.4286388 0.4171208), wk = 0.0022624 k( 276) = ( 0.4141414 0.4373866 0.4171208), wk = 0.0022624 k( 277) = ( 0.4090909 0.4461343 0.4171208), wk = 0.0022624 k( 278) = ( 0.4040404 0.4548820 0.4171208), wk = 0.0022624 k( 279) = ( 0.3989899 0.4636298 0.4171208), wk = 0.0022624 k( 280) = ( 0.3939394 0.4723775 0.4171208), wk = 0.0022624 k( 281) = ( 0.3888889 0.4811252 0.4171208), wk = 0.0022624 k( 282) = ( 0.3838384 0.4898730 0.4171208), wk = 0.0022624 k( 283) = ( 0.3787879 0.4986207 0.4171208), wk = 0.0022624 k( 284) = ( 0.3737374 0.5073684 0.4171208), wk = 0.0022624 k( 285) = ( 0.3686869 0.5161161 0.4171208), wk = 0.0022624 k( 286) = ( 0.3636364 0.5248639 0.4171208), wk = 0.0022624 k( 287) = ( 0.3585859 0.5336116 0.4171208), wk = 0.0022624 k( 288) = ( 0.3535354 0.5423593 0.4171208), wk = 0.0022624 k( 289) = ( 0.3484849 0.5511071 0.4171208), wk = 0.0022624 k( 290) = ( 0.3434343 0.5598548 0.4171208), wk = 0.0022624 k( 291) = ( 0.3383838 0.5686025 0.4171208), wk = 0.0022624 k( 292) = ( 0.3333333 0.5773503 0.4171208), wk = 0.0022624 k( 293) = ( 0.3333333 0.5773503 0.4171208), wk = 0.0022624 k( 294) = ( 0.3282051 0.5684680 0.4171208), wk = 0.0022624 k( 295) = ( 0.3230769 0.5595856 0.4171208), wk = 0.0022624 k( 296) = ( 0.3179487 0.5507033 0.4171208), wk = 0.0022624 k( 297) = ( 0.3128205 0.5418210 0.4171208), wk = 0.0022624 k( 298) = ( 0.3076923 0.5329387 0.4171208), wk = 0.0022624 k( 299) = ( 0.3025641 0.5240564 0.4171208), wk = 0.0022624 k( 300) = ( 0.2974359 0.5151741 0.4171208), wk = 0.0022624 k( 301) = ( 0.2923077 0.5062918 0.4171208), wk = 0.0022624 k( 302) = ( 0.2871795 0.4974095 0.4171208), wk = 0.0022624 k( 303) = ( 0.2820513 0.4885271 0.4171208), wk = 0.0022624 k( 304) = ( 0.2769231 0.4796448 0.4171208), wk = 0.0022624 k( 305) = ( 0.2717949 0.4707625 0.4171208), wk = 0.0022624 k( 306) = ( 0.2666667 0.4618802 0.4171208), wk = 0.0022624 k( 307) = ( 0.2615385 0.4529979 0.4171208), wk = 0.0022624 k( 308) = ( 0.2564103 0.4441156 0.4171208), wk = 0.0022624 k( 309) = ( 0.2512820 0.4352333 0.4171208), wk = 0.0022624 k( 310) = ( 0.2461539 0.4263510 0.4171208), wk = 0.0022624 k( 311) = ( 0.2410256 0.4174687 0.4171208), wk = 0.0022624 k( 312) = ( 0.2358974 0.4085864 0.4171208), wk = 0.0022624 k( 313) = ( 0.2307692 0.3997040 0.4171208), wk = 0.0022624 k( 314) = ( 0.2256410 0.3908217 0.4171208), wk = 0.0022624 k( 315) = ( 0.2205128 0.3819394 0.4171208), wk = 0.0022624 k( 316) = ( 0.2153846 0.3730571 0.4171208), wk = 0.0022624 k( 317) = ( 0.2102564 0.3641748 0.4171208), wk = 0.0022624 k( 318) = ( 0.2051282 0.3552925 0.4171208), wk = 0.0022624 k( 319) = ( 0.2000000 0.3464102 0.4171208), wk = 0.0022624 k( 320) = ( 0.1948718 0.3375278 0.4171208), wk = 0.0022624 k( 321) = ( 0.1897436 0.3286455 0.4171208), wk = 0.0022624 k( 322) = ( 0.1846154 0.3197632 0.4171208), wk = 0.0022624 k( 323) = ( 0.1794872 0.3108809 0.4171208), wk = 0.0022624 k( 324) = ( 0.1743590 0.3019986 0.4171208), wk = 0.0022624 k( 325) = ( 0.1692308 0.2931163 0.4171208), wk = 0.0022624 k( 326) = ( 0.1641026 0.2842340 0.4171208), wk = 0.0022624 k( 327) = ( 0.1589744 0.2753517 0.4171208), wk = 0.0022624 k( 328) = ( 0.1538461 0.2664693 0.4171208), wk = 0.0022624 k( 329) = ( 0.1487179 0.2575870 0.4171208), wk = 0.0022624 k( 330) = ( 0.1435897 0.2487047 0.4171208), wk = 0.0022624 k( 331) = ( 0.1384615 0.2398224 0.4171208), wk = 0.0022624 k( 332) = ( 0.1333333 0.2309401 0.4171208), wk = 0.0022624 k( 333) = ( 0.1282051 0.2220578 0.4171208), wk = 0.0022624 k( 334) = ( 0.1230769 0.2131755 0.4171208), wk = 0.0022624 k( 335) = ( 0.1179487 0.2042932 0.4171208), wk = 0.0022624 k( 336) = ( 0.1128205 0.1954109 0.4171208), wk = 0.0022624 k( 337) = ( 0.1076923 0.1865286 0.4171208), wk = 0.0022624 k( 338) = ( 0.1025641 0.1776462 0.4171208), wk = 0.0022624 k( 339) = ( 0.0974359 0.1687639 0.4171208), wk = 0.0022624 k( 340) = ( 0.0923077 0.1598816 0.4171208), wk = 0.0022624 k( 341) = ( 0.0871795 0.1509993 0.4171208), wk = 0.0022624 k( 342) = ( 0.0820513 0.1421170 0.4171208), wk = 0.0022624 k( 343) = ( 0.0769231 0.1332347 0.4171208), wk = 0.0022624 k( 344) = ( 0.0717949 0.1243524 0.4171208), wk = 0.0022624 k( 345) = ( 0.0666667 0.1154701 0.4171208), wk = 0.0022624 k( 346) = ( 0.0615385 0.1065877 0.4171208), wk = 0.0022624 k( 347) = ( 0.0564103 0.0977054 0.4171208), wk = 0.0022624 k( 348) = ( 0.0512821 0.0888231 0.4171208), wk = 0.0022624 k( 349) = ( 0.0461539 0.0799408 0.4171208), wk = 0.0022624 k( 350) = ( 0.0410256 0.0710585 0.4171208), wk = 0.0022624 k( 351) = ( 0.0358974 0.0621762 0.4171208), wk = 0.0022624 k( 352) = ( 0.0307692 0.0532939 0.4171208), wk = 0.0022624 k( 353) = ( 0.0256410 0.0444116 0.4171208), wk = 0.0022624 k( 354) = ( 0.0205128 0.0355292 0.4171208), wk = 0.0022624 k( 355) = ( 0.0153846 0.0266469 0.4171208), wk = 0.0022624 k( 356) = ( 0.0102564 0.0177646 0.4171208), wk = 0.0022624 k( 357) = ( 0.0051282 0.0088823 0.4171208), wk = 0.0022624 k( 358) = ( 0.0000000 0.0000000 0.4171208), wk = 0.0022624 k( 359) = ( 0.5000000 0.2886751 0.4171208), wk = 0.0022624 k( 360) = ( 0.5000000 0.2886751 0.4069471), wk = 0.0022624 k( 361) = ( 0.5000000 0.2886751 0.3967735), wk = 0.0022624 k( 362) = ( 0.5000000 0.2886751 0.3865998), wk = 0.0022624 k( 363) = ( 0.5000000 0.2886751 0.3764261), wk = 0.0022624 k( 364) = ( 0.5000000 0.2886751 0.3662524), wk = 0.0022624 k( 365) = ( 0.5000000 0.2886751 0.3560787), wk = 0.0022624 k( 366) = ( 0.5000000 0.2886751 0.3459051), wk = 0.0022624 k( 367) = ( 0.5000000 0.2886751 0.3357314), wk = 0.0022624 k( 368) = ( 0.5000000 0.2886751 0.3255577), wk = 0.0022624 k( 369) = ( 0.5000000 0.2886751 0.3153840), wk = 0.0022624 k( 370) = ( 0.5000000 0.2886751 0.3052104), wk = 0.0022624 k( 371) = ( 0.5000000 0.2886751 0.2950367), wk = 0.0022624 k( 372) = ( 0.5000000 0.2886751 0.2848630), wk = 0.0022624 k( 373) = ( 0.5000000 0.2886751 0.2746893), wk = 0.0022624 k( 374) = ( 0.5000000 0.2886751 0.2645156), wk = 0.0022624 k( 375) = ( 0.5000000 0.2886751 0.2543420), wk = 0.0022624 k( 376) = ( 0.5000000 0.2886751 0.2441683), wk = 0.0022624 k( 377) = ( 0.5000000 0.2886751 0.2339946), wk = 0.0022624 k( 378) = ( 0.5000000 0.2886751 0.2238209), wk = 0.0022624 k( 379) = ( 0.5000000 0.2886751 0.2136472), wk = 0.0022624 k( 380) = ( 0.5000000 0.2886751 0.2034736), wk = 0.0022624 k( 381) = ( 0.5000000 0.2886751 0.1932999), wk = 0.0022624 k( 382) = ( 0.5000000 0.2886751 0.1831262), wk = 0.0022624 k( 383) = ( 0.5000000 0.2886751 0.1729525), wk = 0.0022624 k( 384) = ( 0.5000000 0.2886751 0.1627789), wk = 0.0022624 k( 385) = ( 0.5000000 0.2886751 0.1526052), wk = 0.0022624 k( 386) = ( 0.5000000 0.2886751 0.1424315), wk = 0.0022624 k( 387) = ( 0.5000000 0.2886751 0.1322578), wk = 0.0022624 k( 388) = ( 0.5000000 0.2886751 0.1220841), wk = 0.0022624 k( 389) = ( 0.5000000 0.2886751 0.1119105), wk = 0.0022624 k( 390) = ( 0.5000000 0.2886751 0.1017368), wk = 0.0022624 k( 391) = ( 0.5000000 0.2886751 0.0915631), wk = 0.0022624 k( 392) = ( 0.5000000 0.2886751 0.0813894), wk = 0.0022624 k( 393) = ( 0.5000000 0.2886751 0.0712157), wk = 0.0022624 k( 394) = ( 0.5000000 0.2886751 0.0610421), wk = 0.0022624 k( 395) = ( 0.5000000 0.2886751 0.0508684), wk = 0.0022624 k( 396) = ( 0.5000000 0.2886751 0.0406947), wk = 0.0022624 k( 397) = ( 0.5000000 0.2886751 0.0305210), wk = 0.0022624 k( 398) = ( 0.5000000 0.2886751 0.0203474), wk = 0.0022624 k( 399) = ( 0.5000000 0.2886751 0.0101737), wk = 0.0022624 k( 400) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022624 k( 401) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022624 k( 402) = ( 0.3333333 0.5773503 0.0101737), wk = 0.0022624 k( 403) = ( 0.3333333 0.5773503 0.0203474), wk = 0.0022624 k( 404) = ( 0.3333333 0.5773503 0.0305210), wk = 0.0022624 k( 405) = ( 0.3333333 0.5773503 0.0406947), wk = 0.0022624 k( 406) = ( 0.3333333 0.5773503 0.0508684), wk = 0.0022624 k( 407) = ( 0.3333333 0.5773503 0.0610421), wk = 0.0022624 k( 408) = ( 0.3333333 0.5773503 0.0712157), wk = 0.0022624 k( 409) = ( 0.3333333 0.5773503 0.0813894), wk = 0.0022624 k( 410) = ( 0.3333333 0.5773503 0.0915631), wk = 0.0022624 k( 411) = ( 0.3333333 0.5773503 0.1017368), wk = 0.0022624 k( 412) = ( 0.3333333 0.5773503 0.1119105), wk = 0.0022624 k( 413) = ( 0.3333333 0.5773503 0.1220841), wk = 0.0022624 k( 414) = ( 0.3333333 0.5773503 0.1322578), wk = 0.0022624 k( 415) = ( 0.3333333 0.5773503 0.1424315), wk = 0.0022624 k( 416) = ( 0.3333333 0.5773503 0.1526052), wk = 0.0022624 k( 417) = ( 0.3333333 0.5773503 0.1627789), wk = 0.0022624 k( 418) = ( 0.3333333 0.5773503 0.1729525), wk = 0.0022624 k( 419) = ( 0.3333333 0.5773503 0.1831262), wk = 0.0022624 k( 420) = ( 0.3333333 0.5773503 0.1932999), wk = 0.0022624 k( 421) = ( 0.3333333 0.5773503 0.2034736), wk = 0.0022624 k( 422) = ( 0.3333333 0.5773503 0.2136472), wk = 0.0022624 k( 423) = ( 0.3333333 0.5773503 0.2238209), wk = 0.0022624 k( 424) = ( 0.3333333 0.5773503 0.2339946), wk = 0.0022624 k( 425) = ( 0.3333333 0.5773503 0.2441683), wk = 0.0022624 k( 426) = ( 0.3333333 0.5773503 0.2543420), wk = 0.0022624 k( 427) = ( 0.3333333 0.5773503 0.2645156), wk = 0.0022624 k( 428) = ( 0.3333333 0.5773503 0.2746893), wk = 0.0022624 k( 429) = ( 0.3333333 0.5773503 0.2848630), wk = 0.0022624 k( 430) = ( 0.3333333 0.5773503 0.2950367), wk = 0.0022624 k( 431) = ( 0.3333333 0.5773503 0.3052104), wk = 0.0022624 k( 432) = ( 0.3333333 0.5773503 0.3153840), wk = 0.0022624 k( 433) = ( 0.3333333 0.5773503 0.3255577), wk = 0.0022624 k( 434) = ( 0.3333333 0.5773503 0.3357314), wk = 0.0022624 k( 435) = ( 0.3333333 0.5773503 0.3459051), wk = 0.0022624 k( 436) = ( 0.3333333 0.5773503 0.3560787), wk = 0.0022624 k( 437) = ( 0.3333333 0.5773503 0.3662524), wk = 0.0022624 k( 438) = ( 0.3333333 0.5773503 0.3764261), wk = 0.0022624 k( 439) = ( 0.3333333 0.5773503 0.3865998), wk = 0.0022624 k( 440) = ( 0.3333333 0.5773503 0.3967735), wk = 0.0022624 k( 441) = ( 0.3333333 0.5773503 0.4069471), wk = 0.0022624 k( 442) = ( 0.3333333 0.5773503 0.4171208), wk = 0.0022624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 2) = ( 0.0087719 0.0000000 0.0000000), wk = 0.0022624 k( 3) = ( 0.0175439 0.0000000 0.0000000), wk = 0.0022624 k( 4) = ( 0.0263158 -0.0000000 0.0000000), wk = 0.0022624 k( 5) = ( 0.0350877 0.0000000 0.0000000), wk = 0.0022624 k( 6) = ( 0.0438597 0.0000000 -0.0000000), wk = 0.0022624 k( 7) = ( 0.0526316 -0.0000000 0.0000000), wk = 0.0022624 k( 8) = ( 0.0614035 -0.0000000 0.0000000), wk = 0.0022624 k( 9) = ( 0.0701754 0.0000000 0.0000000), wk = 0.0022624 k( 10) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0022624 k( 11) = ( 0.0877193 0.0000000 -0.0000000), wk = 0.0022624 k( 12) = ( 0.0964912 -0.0000000 0.0000000), wk = 0.0022624 k( 13) = ( 0.1052632 -0.0000000 0.0000000), wk = 0.0022624 k( 14) = ( 0.1140351 0.0000000 -0.0000000), wk = 0.0022624 k( 15) = ( 0.1228070 -0.0000000 0.0000000), wk = 0.0022624 k( 16) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0022624 k( 17) = ( 0.1403509 0.0000000 0.0000000), wk = 0.0022624 k( 18) = ( 0.1491228 0.0000000 0.0000000), wk = 0.0022624 k( 19) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0022624 k( 20) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0022624 k( 21) = ( 0.1754386 0.0000000 -0.0000000), wk = 0.0022624 k( 22) = ( 0.1842105 0.0000000 -0.0000000), wk = 0.0022624 k( 23) = ( 0.1929825 -0.0000000 0.0000000), wk = 0.0022624 k( 24) = ( 0.2017544 -0.0000000 0.0000000), wk = 0.0022624 k( 25) = ( 0.2105263 -0.0000000 0.0000000), wk = 0.0022624 k( 26) = ( 0.2192983 -0.0000000 0.0000000), wk = 0.0022624 k( 27) = ( 0.2280702 0.0000000 -0.0000000), wk = 0.0022624 k( 28) = ( 0.2368421 0.0000000 0.0000000), wk = 0.0022624 k( 29) = ( 0.2456140 -0.0000000 0.0000000), wk = 0.0022624 k( 30) = ( 0.2543860 -0.0000000 -0.0000000), wk = 0.0022624 k( 31) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0022624 k( 32) = ( 0.2719298 -0.0000000 -0.0000000), wk = 0.0022624 k( 33) = ( 0.2807018 -0.0000000 0.0000000), wk = 0.0022624 k( 34) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0022624 k( 35) = ( 0.2982456 -0.0000000 0.0000000), wk = 0.0022624 k( 36) = ( 0.3070175 -0.0000000 0.0000000), wk = 0.0022624 k( 37) = ( 0.3157895 0.0000000 0.0000000), wk = 0.0022624 k( 38) = ( 0.3245614 -0.0000000 -0.0000000), wk = 0.0022624 k( 39) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0022624 k( 40) = ( 0.3421053 0.0000000 -0.0000000), wk = 0.0022624 k( 41) = ( 0.3508772 0.0000000 0.0000000), wk = 0.0022624 k( 42) = ( 0.3596491 0.0000000 -0.0000000), wk = 0.0022624 k( 43) = ( 0.3684211 0.0000000 -0.0000000), wk = 0.0022624 k( 44) = ( 0.3771930 -0.0000000 -0.0000000), wk = 0.0022624 k( 45) = ( 0.3859649 -0.0000000 -0.0000000), wk = 0.0022624 k( 46) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0022624 k( 47) = ( 0.4035088 -0.0000000 -0.0000000), wk = 0.0022624 k( 48) = ( 0.4122807 -0.0000000 -0.0000000), wk = 0.0022624 k( 49) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0022624 k( 50) = ( 0.4298246 -0.0000000 -0.0000000), wk = 0.0022624 k( 51) = ( 0.4385965 -0.0000000 0.0000000), wk = 0.0022624 k( 52) = ( 0.4473684 -0.0000000 0.0000000), wk = 0.0022624 k( 53) = ( 0.4561404 -0.0000000 0.0000000), wk = 0.0022624 k( 54) = ( 0.4649123 -0.0000000 0.0000000), wk = 0.0022624 k( 55) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0022624 k( 56) = ( 0.4824561 -0.0000000 0.0000000), wk = 0.0022624 k( 57) = ( 0.4912281 -0.0000000 0.0000000), wk = 0.0022624 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022624 k( 59) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022624 k( 60) = ( 0.4949495 0.0101010 -0.0000000), wk = 0.0022624 k( 61) = ( 0.4898990 0.0202020 0.0000000), wk = 0.0022624 k( 62) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0022624 k( 63) = ( 0.4797980 0.0404040 -0.0000000), wk = 0.0022624 k( 64) = ( 0.4747475 0.0505050 -0.0000000), wk = 0.0022624 k( 65) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0022624 k( 66) = ( 0.4646465 0.0707071 0.0000000), wk = 0.0022624 k( 67) = ( 0.4595960 0.0808081 0.0000000), wk = 0.0022624 k( 68) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0022624 k( 69) = ( 0.4494950 0.1010101 -0.0000000), wk = 0.0022624 k( 70) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0022624 k( 71) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0022624 k( 72) = ( 0.4343434 0.1313131 0.0000000), wk = 0.0022624 k( 73) = ( 0.4292929 0.1414141 0.0000000), wk = 0.0022624 k( 74) = ( 0.4242424 0.1515151 0.0000000), wk = 0.0022624 k( 75) = ( 0.4191919 0.1616162 -0.0000000), wk = 0.0022624 k( 76) = ( 0.4141414 0.1717172 -0.0000000), wk = 0.0022624 k( 77) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0022624 k( 78) = ( 0.4040404 0.1919192 -0.0000000), wk = 0.0022624 k( 79) = ( 0.3989899 0.2020202 -0.0000000), wk = 0.0022624 k( 80) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0022624 k( 81) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0022624 k( 82) = ( 0.3838384 0.2323232 -0.0000000), wk = 0.0022624 k( 83) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0022624 k( 84) = ( 0.3737374 0.2525252 -0.0000000), wk = 0.0022624 k( 85) = ( 0.3686869 0.2626263 -0.0000000), wk = 0.0022624 k( 86) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0022624 k( 87) = ( 0.3585859 0.2828283 0.0000000), wk = 0.0022624 k( 88) = ( 0.3535354 0.2929293 -0.0000000), wk = 0.0022624 k( 89) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0022624 k( 90) = ( 0.3434343 0.3131313 0.0000000), wk = 0.0022624 k( 91) = ( 0.3383838 0.3232323 0.0000000), wk = 0.0022624 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022624 k( 93) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022624 k( 94) = ( 0.3282051 0.3282051 -0.0000000), wk = 0.0022624 k( 95) = ( 0.3230769 0.3230769 -0.0000000), wk = 0.0022624 k( 96) = ( 0.3179487 0.3179487 -0.0000000), wk = 0.0022624 k( 97) = ( 0.3128205 0.3128205 -0.0000000), wk = 0.0022624 k( 98) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0022624 k( 99) = ( 0.3025641 0.3025641 -0.0000000), wk = 0.0022624 k( 100) = ( 0.2974359 0.2974359 0.0000000), wk = 0.0022624 k( 101) = ( 0.2923077 0.2923077 0.0000000), wk = 0.0022624 k( 102) = ( 0.2871795 0.2871795 -0.0000000), wk = 0.0022624 k( 103) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0022624 k( 104) = ( 0.2769231 0.2769231 0.0000000), wk = 0.0022624 k( 105) = ( 0.2717949 0.2717949 -0.0000000), wk = 0.0022624 k( 106) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0022624 k( 107) = ( 0.2615385 0.2615385 0.0000000), wk = 0.0022624 k( 108) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0022624 k( 109) = ( 0.2512820 0.2512820 -0.0000000), wk = 0.0022624 k( 110) = ( 0.2461539 0.2461538 0.0000000), wk = 0.0022624 k( 111) = ( 0.2410256 0.2410256 0.0000000), wk = 0.0022624 k( 112) = ( 0.2358974 0.2358974 0.0000000), wk = 0.0022624 k( 113) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0022624 k( 114) = ( 0.2256410 0.2256410 -0.0000000), wk = 0.0022624 k( 115) = ( 0.2205128 0.2205128 -0.0000000), wk = 0.0022624 k( 116) = ( 0.2153846 0.2153846 -0.0000000), wk = 0.0022624 k( 117) = ( 0.2102564 0.2102564 -0.0000000), wk = 0.0022624 k( 118) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0022624 k( 119) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0022624 k( 120) = ( 0.1948718 0.1948718 -0.0000000), wk = 0.0022624 k( 121) = ( 0.1897436 0.1897436 0.0000000), wk = 0.0022624 k( 122) = ( 0.1846154 0.1846154 0.0000000), wk = 0.0022624 k( 123) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0022624 k( 124) = ( 0.1743590 0.1743590 0.0000000), wk = 0.0022624 k( 125) = ( 0.1692308 0.1692308 0.0000000), wk = 0.0022624 k( 126) = ( 0.1641026 0.1641026 -0.0000000), wk = 0.0022624 k( 127) = ( 0.1589744 0.1589744 -0.0000000), wk = 0.0022624 k( 128) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0022624 k( 129) = ( 0.1487179 0.1487179 0.0000000), wk = 0.0022624 k( 130) = ( 0.1435897 0.1435897 -0.0000000), wk = 0.0022624 k( 131) = ( 0.1384615 0.1384615 0.0000000), wk = 0.0022624 k( 132) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0022624 k( 133) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0022624 k( 134) = ( 0.1230769 0.1230769 0.0000000), wk = 0.0022624 k( 135) = ( 0.1179487 0.1179487 0.0000000), wk = 0.0022624 k( 136) = ( 0.1128205 0.1128205 0.0000000), wk = 0.0022624 k( 137) = ( 0.1076923 0.1076923 -0.0000000), wk = 0.0022624 k( 138) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0022624 k( 139) = ( 0.0974359 0.0974359 0.0000000), wk = 0.0022624 k( 140) = ( 0.0923077 0.0923077 0.0000000), wk = 0.0022624 k( 141) = ( 0.0871795 0.0871795 -0.0000000), wk = 0.0022624 k( 142) = ( 0.0820513 0.0820513 -0.0000000), wk = 0.0022624 k( 143) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0022624 k( 144) = ( 0.0717949 0.0717949 -0.0000000), wk = 0.0022624 k( 145) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0022624 k( 146) = ( 0.0615385 0.0615385 0.0000000), wk = 0.0022624 k( 147) = ( 0.0564103 0.0564103 0.0000000), wk = 0.0022624 k( 148) = ( 0.0512821 0.0512820 0.0000000), wk = 0.0022624 k( 149) = ( 0.0461539 0.0461539 -0.0000000), wk = 0.0022624 k( 150) = ( 0.0410256 0.0410256 -0.0000000), wk = 0.0022624 k( 151) = ( 0.0358974 0.0358974 -0.0000000), wk = 0.0022624 k( 152) = ( 0.0307692 0.0307692 0.0000000), wk = 0.0022624 k( 153) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0022624 k( 154) = ( 0.0205128 0.0205128 -0.0000000), wk = 0.0022624 k( 155) = ( 0.0153846 0.0153846 0.0000000), wk = 0.0022624 k( 156) = ( 0.0102564 0.0102564 -0.0000000), wk = 0.0022624 k( 157) = ( 0.0051282 0.0051282 0.0000000), wk = 0.0022624 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 160) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0022624 k( 161) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0022624 k( 162) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0022624 k( 163) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0022624 k( 164) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0022624 k( 165) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0022624 k( 166) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0022624 k( 167) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0022624 k( 168) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0022624 k( 169) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0022624 k( 170) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0022624 k( 171) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0022624 k( 172) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0022624 k( 173) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0022624 k( 174) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0022624 k( 175) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0022624 k( 176) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0022624 k( 177) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0022624 k( 178) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0022624 k( 179) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0022624 k( 180) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0022624 k( 181) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0022624 k( 182) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0022624 k( 183) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0022624 k( 184) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0022624 k( 185) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0022624 k( 186) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0022624 k( 187) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0022624 k( 188) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0022624 k( 189) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0022624 k( 190) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0022624 k( 191) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0022624 k( 192) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0022624 k( 193) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0022624 k( 194) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0022624 k( 195) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0022624 k( 196) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0022624 k( 197) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0022624 k( 198) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0022624 k( 199) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0022624 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022624 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022624 k( 202) = ( 0.0087719 0.0000000 0.5000000), wk = 0.0022624 k( 203) = ( 0.0175439 0.0000000 0.5000000), wk = 0.0022624 k( 204) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0022624 k( 205) = ( 0.0350877 0.0000000 0.5000000), wk = 0.0022624 k( 206) = ( 0.0438597 0.0000000 0.5000000), wk = 0.0022624 k( 207) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0022624 k( 208) = ( 0.0614035 -0.0000000 0.5000000), wk = 0.0022624 k( 209) = ( 0.0701754 0.0000000 0.5000000), wk = 0.0022624 k( 210) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0022624 k( 211) = ( 0.0877193 0.0000000 0.5000000), wk = 0.0022624 k( 212) = ( 0.0964912 -0.0000000 0.5000000), wk = 0.0022624 k( 213) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0022624 k( 214) = ( 0.1140351 0.0000000 0.5000000), wk = 0.0022624 k( 215) = ( 0.1228070 -0.0000000 0.5000000), wk = 0.0022624 k( 216) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0022624 k( 217) = ( 0.1403509 0.0000000 0.5000000), wk = 0.0022624 k( 218) = ( 0.1491228 0.0000000 0.5000000), wk = 0.0022624 k( 219) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0022624 k( 220) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0022624 k( 221) = ( 0.1754386 0.0000000 0.5000000), wk = 0.0022624 k( 222) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0022624 k( 223) = ( 0.1929825 -0.0000000 0.5000000), wk = 0.0022624 k( 224) = ( 0.2017544 -0.0000000 0.5000000), wk = 0.0022624 k( 225) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0022624 k( 226) = ( 0.2192983 -0.0000000 0.5000000), wk = 0.0022624 k( 227) = ( 0.2280702 0.0000000 0.5000000), wk = 0.0022624 k( 228) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0022624 k( 229) = ( 0.2456140 -0.0000000 0.5000000), wk = 0.0022624 k( 230) = ( 0.2543860 -0.0000000 0.5000000), wk = 0.0022624 k( 231) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0022624 k( 232) = ( 0.2719298 -0.0000000 0.5000000), wk = 0.0022624 k( 233) = ( 0.2807018 -0.0000000 0.5000000), wk = 0.0022624 k( 234) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0022624 k( 235) = ( 0.2982456 -0.0000000 0.5000000), wk = 0.0022624 k( 236) = ( 0.3070175 -0.0000000 0.5000000), wk = 0.0022624 k( 237) = ( 0.3157895 0.0000000 0.5000000), wk = 0.0022624 k( 238) = ( 0.3245614 -0.0000000 0.5000000), wk = 0.0022624 k( 239) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0022624 k( 240) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0022624 k( 241) = ( 0.3508772 0.0000000 0.5000000), wk = 0.0022624 k( 242) = ( 0.3596491 0.0000000 0.5000000), wk = 0.0022624 k( 243) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0022624 k( 244) = ( 0.3771930 -0.0000000 0.5000000), wk = 0.0022624 k( 245) = ( 0.3859649 -0.0000000 0.5000000), wk = 0.0022624 k( 246) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0022624 k( 247) = ( 0.4035088 -0.0000000 0.5000000), wk = 0.0022624 k( 248) = ( 0.4122807 -0.0000000 0.5000000), wk = 0.0022624 k( 249) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0022624 k( 250) = ( 0.4298246 -0.0000000 0.5000000), wk = 0.0022624 k( 251) = ( 0.4385965 -0.0000000 0.5000000), wk = 0.0022624 k( 252) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0022624 k( 253) = ( 0.4561404 -0.0000000 0.5000000), wk = 0.0022624 k( 254) = ( 0.4649123 -0.0000000 0.5000000), wk = 0.0022624 k( 255) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0022624 k( 256) = ( 0.4824561 -0.0000000 0.5000000), wk = 0.0022624 k( 257) = ( 0.4912281 -0.0000000 0.5000000), wk = 0.0022624 k( 258) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022624 k( 259) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022624 k( 260) = ( 0.4949495 0.0101010 0.5000000), wk = 0.0022624 k( 261) = ( 0.4898990 0.0202020 0.5000000), wk = 0.0022624 k( 262) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0022624 k( 263) = ( 0.4797980 0.0404040 0.5000000), wk = 0.0022624 k( 264) = ( 0.4747475 0.0505050 0.5000000), wk = 0.0022624 k( 265) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0022624 k( 266) = ( 0.4646465 0.0707071 0.5000000), wk = 0.0022624 k( 267) = ( 0.4595960 0.0808081 0.5000000), wk = 0.0022624 k( 268) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0022624 k( 269) = ( 0.4494950 0.1010101 0.5000000), wk = 0.0022624 k( 270) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0022624 k( 271) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0022624 k( 272) = ( 0.4343434 0.1313131 0.5000000), wk = 0.0022624 k( 273) = ( 0.4292929 0.1414141 0.5000000), wk = 0.0022624 k( 274) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0022624 k( 275) = ( 0.4191919 0.1616162 0.5000000), wk = 0.0022624 k( 276) = ( 0.4141414 0.1717172 0.5000000), wk = 0.0022624 k( 277) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0022624 k( 278) = ( 0.4040404 0.1919192 0.5000000), wk = 0.0022624 k( 279) = ( 0.3989899 0.2020202 0.5000000), wk = 0.0022624 k( 280) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0022624 k( 281) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0022624 k( 282) = ( 0.3838384 0.2323232 0.5000000), wk = 0.0022624 k( 283) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0022624 k( 284) = ( 0.3737374 0.2525252 0.5000000), wk = 0.0022624 k( 285) = ( 0.3686869 0.2626263 0.5000000), wk = 0.0022624 k( 286) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0022624 k( 287) = ( 0.3585859 0.2828283 0.5000000), wk = 0.0022624 k( 288) = ( 0.3535354 0.2929293 0.5000000), wk = 0.0022624 k( 289) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0022624 k( 290) = ( 0.3434343 0.3131313 0.5000000), wk = 0.0022624 k( 291) = ( 0.3383838 0.3232323 0.5000000), wk = 0.0022624 k( 292) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022624 k( 293) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022624 k( 294) = ( 0.3282051 0.3282051 0.5000000), wk = 0.0022624 k( 295) = ( 0.3230769 0.3230769 0.5000000), wk = 0.0022624 k( 296) = ( 0.3179487 0.3179487 0.5000000), wk = 0.0022624 k( 297) = ( 0.3128205 0.3128205 0.5000000), wk = 0.0022624 k( 298) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0022624 k( 299) = ( 0.3025641 0.3025641 0.5000000), wk = 0.0022624 k( 300) = ( 0.2974359 0.2974359 0.5000000), wk = 0.0022624 k( 301) = ( 0.2923077 0.2923077 0.5000000), wk = 0.0022624 k( 302) = ( 0.2871795 0.2871795 0.5000000), wk = 0.0022624 k( 303) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0022624 k( 304) = ( 0.2769231 0.2769231 0.5000000), wk = 0.0022624 k( 305) = ( 0.2717949 0.2717949 0.5000000), wk = 0.0022624 k( 306) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0022624 k( 307) = ( 0.2615385 0.2615385 0.5000000), wk = 0.0022624 k( 308) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0022624 k( 309) = ( 0.2512820 0.2512820 0.5000000), wk = 0.0022624 k( 310) = ( 0.2461539 0.2461538 0.5000000), wk = 0.0022624 k( 311) = ( 0.2410256 0.2410256 0.5000000), wk = 0.0022624 k( 312) = ( 0.2358974 0.2358974 0.5000000), wk = 0.0022624 k( 313) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0022624 k( 314) = ( 0.2256410 0.2256410 0.5000000), wk = 0.0022624 k( 315) = ( 0.2205128 0.2205128 0.5000000), wk = 0.0022624 k( 316) = ( 0.2153846 0.2153846 0.5000000), wk = 0.0022624 k( 317) = ( 0.2102564 0.2102564 0.5000000), wk = 0.0022624 k( 318) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0022624 k( 319) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0022624 k( 320) = ( 0.1948718 0.1948718 0.5000000), wk = 0.0022624 k( 321) = ( 0.1897436 0.1897436 0.5000000), wk = 0.0022624 k( 322) = ( 0.1846154 0.1846154 0.5000000), wk = 0.0022624 k( 323) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0022624 k( 324) = ( 0.1743590 0.1743590 0.5000000), wk = 0.0022624 k( 325) = ( 0.1692308 0.1692308 0.5000000), wk = 0.0022624 k( 326) = ( 0.1641026 0.1641026 0.5000000), wk = 0.0022624 k( 327) = ( 0.1589744 0.1589744 0.5000000), wk = 0.0022624 k( 328) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0022624 k( 329) = ( 0.1487179 0.1487179 0.5000000), wk = 0.0022624 k( 330) = ( 0.1435897 0.1435897 0.5000000), wk = 0.0022624 k( 331) = ( 0.1384615 0.1384615 0.5000000), wk = 0.0022624 k( 332) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0022624 k( 333) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0022624 k( 334) = ( 0.1230769 0.1230769 0.5000000), wk = 0.0022624 k( 335) = ( 0.1179487 0.1179487 0.5000000), wk = 0.0022624 k( 336) = ( 0.1128205 0.1128205 0.5000000), wk = 0.0022624 k( 337) = ( 0.1076923 0.1076923 0.5000000), wk = 0.0022624 k( 338) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0022624 k( 339) = ( 0.0974359 0.0974359 0.5000000), wk = 0.0022624 k( 340) = ( 0.0923077 0.0923077 0.5000000), wk = 0.0022624 k( 341) = ( 0.0871795 0.0871795 0.5000000), wk = 0.0022624 k( 342) = ( 0.0820513 0.0820513 0.5000000), wk = 0.0022624 k( 343) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0022624 k( 344) = ( 0.0717949 0.0717949 0.5000000), wk = 0.0022624 k( 345) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0022624 k( 346) = ( 0.0615385 0.0615385 0.5000000), wk = 0.0022624 k( 347) = ( 0.0564103 0.0564103 0.5000000), wk = 0.0022624 k( 348) = ( 0.0512821 0.0512820 0.5000000), wk = 0.0022624 k( 349) = ( 0.0461539 0.0461539 0.5000000), wk = 0.0022624 k( 350) = ( 0.0410256 0.0410256 0.5000000), wk = 0.0022624 k( 351) = ( 0.0358974 0.0358974 0.5000000), wk = 0.0022624 k( 352) = ( 0.0307692 0.0307692 0.5000000), wk = 0.0022624 k( 353) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0022624 k( 354) = ( 0.0205128 0.0205128 0.5000000), wk = 0.0022624 k( 355) = ( 0.0153846 0.0153846 0.5000000), wk = 0.0022624 k( 356) = ( 0.0102564 0.0102564 0.5000000), wk = 0.0022624 k( 357) = ( 0.0051282 0.0051282 0.5000000), wk = 0.0022624 k( 358) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022624 k( 359) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022624 k( 360) = ( 0.5000000 0.0000000 0.4878049), wk = 0.0022624 k( 361) = ( 0.5000000 0.0000000 0.4756098), wk = 0.0022624 k( 362) = ( 0.5000000 0.0000000 0.4634146), wk = 0.0022624 k( 363) = ( 0.5000000 0.0000000 0.4512195), wk = 0.0022624 k( 364) = ( 0.5000000 0.0000000 0.4390244), wk = 0.0022624 k( 365) = ( 0.5000000 0.0000000 0.4268293), wk = 0.0022624 k( 366) = ( 0.5000000 0.0000000 0.4146341), wk = 0.0022624 k( 367) = ( 0.5000000 0.0000000 0.4024390), wk = 0.0022624 k( 368) = ( 0.5000000 0.0000000 0.3902439), wk = 0.0022624 k( 369) = ( 0.5000000 0.0000000 0.3780488), wk = 0.0022624 k( 370) = ( 0.5000000 0.0000000 0.3658537), wk = 0.0022624 k( 371) = ( 0.5000000 0.0000000 0.3536585), wk = 0.0022624 k( 372) = ( 0.5000000 0.0000000 0.3414634), wk = 0.0022624 k( 373) = ( 0.5000000 0.0000000 0.3292683), wk = 0.0022624 k( 374) = ( 0.5000000 0.0000000 0.3170732), wk = 0.0022624 k( 375) = ( 0.5000000 0.0000000 0.3048781), wk = 0.0022624 k( 376) = ( 0.5000000 0.0000000 0.2926829), wk = 0.0022624 k( 377) = ( 0.5000000 0.0000000 0.2804878), wk = 0.0022624 k( 378) = ( 0.5000000 0.0000000 0.2682927), wk = 0.0022624 k( 379) = ( 0.5000000 0.0000000 0.2560976), wk = 0.0022624 k( 380) = ( 0.5000000 0.0000000 0.2439024), wk = 0.0022624 k( 381) = ( 0.5000000 0.0000000 0.2317073), wk = 0.0022624 k( 382) = ( 0.5000000 0.0000000 0.2195122), wk = 0.0022624 k( 383) = ( 0.5000000 0.0000000 0.2073171), wk = 0.0022624 k( 384) = ( 0.5000000 0.0000000 0.1951219), wk = 0.0022624 k( 385) = ( 0.5000000 0.0000000 0.1829268), wk = 0.0022624 k( 386) = ( 0.5000000 0.0000000 0.1707317), wk = 0.0022624 k( 387) = ( 0.5000000 0.0000000 0.1585366), wk = 0.0022624 k( 388) = ( 0.5000000 0.0000000 0.1463415), wk = 0.0022624 k( 389) = ( 0.5000000 0.0000000 0.1341463), wk = 0.0022624 k( 390) = ( 0.5000000 0.0000000 0.1219512), wk = 0.0022624 k( 391) = ( 0.5000000 0.0000000 0.1097561), wk = 0.0022624 k( 392) = ( 0.5000000 0.0000000 0.0975610), wk = 0.0022624 k( 393) = ( 0.5000000 0.0000000 0.0853659), wk = 0.0022624 k( 394) = ( 0.5000000 0.0000000 0.0731707), wk = 0.0022624 k( 395) = ( 0.5000000 0.0000000 0.0609756), wk = 0.0022624 k( 396) = ( 0.5000000 0.0000000 0.0487805), wk = 0.0022624 k( 397) = ( 0.5000000 0.0000000 0.0365854), wk = 0.0022624 k( 398) = ( 0.5000000 0.0000000 0.0243902), wk = 0.0022624 k( 399) = ( 0.5000000 0.0000000 0.0121951), wk = 0.0022624 k( 400) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022624 k( 401) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022624 k( 402) = ( 0.3333333 0.3333333 0.0121951), wk = 0.0022624 k( 403) = ( 0.3333333 0.3333333 0.0243902), wk = 0.0022624 k( 404) = ( 0.3333333 0.3333333 0.0365854), wk = 0.0022624 k( 405) = ( 0.3333333 0.3333333 0.0487805), wk = 0.0022624 k( 406) = ( 0.3333333 0.3333333 0.0609756), wk = 0.0022624 k( 407) = ( 0.3333333 0.3333333 0.0731707), wk = 0.0022624 k( 408) = ( 0.3333333 0.3333333 0.0853658), wk = 0.0022624 k( 409) = ( 0.3333333 0.3333333 0.0975610), wk = 0.0022624 k( 410) = ( 0.3333333 0.3333333 0.1097561), wk = 0.0022624 k( 411) = ( 0.3333333 0.3333333 0.1219512), wk = 0.0022624 k( 412) = ( 0.3333333 0.3333333 0.1341463), wk = 0.0022624 k( 413) = ( 0.3333333 0.3333333 0.1463415), wk = 0.0022624 k( 414) = ( 0.3333333 0.3333333 0.1585366), wk = 0.0022624 k( 415) = ( 0.3333333 0.3333333 0.1707317), wk = 0.0022624 k( 416) = ( 0.3333333 0.3333333 0.1829268), wk = 0.0022624 k( 417) = ( 0.3333333 0.3333333 0.1951219), wk = 0.0022624 k( 418) = ( 0.3333333 0.3333333 0.2073171), wk = 0.0022624 k( 419) = ( 0.3333333 0.3333333 0.2195122), wk = 0.0022624 k( 420) = ( 0.3333333 0.3333333 0.2317073), wk = 0.0022624 k( 421) = ( 0.3333333 0.3333333 0.2439024), wk = 0.0022624 k( 422) = ( 0.3333333 0.3333333 0.2560976), wk = 0.0022624 k( 423) = ( 0.3333333 0.3333333 0.2682927), wk = 0.0022624 k( 424) = ( 0.3333333 0.3333333 0.2804878), wk = 0.0022624 k( 425) = ( 0.3333333 0.3333333 0.2926829), wk = 0.0022624 k( 426) = ( 0.3333333 0.3333333 0.3048781), wk = 0.0022624 k( 427) = ( 0.3333333 0.3333333 0.3170732), wk = 0.0022624 k( 428) = ( 0.3333333 0.3333333 0.3292683), wk = 0.0022624 k( 429) = ( 0.3333333 0.3333333 0.3414634), wk = 0.0022624 k( 430) = ( 0.3333333 0.3333333 0.3536585), wk = 0.0022624 k( 431) = ( 0.3333333 0.3333333 0.3658537), wk = 0.0022624 k( 432) = ( 0.3333333 0.3333333 0.3780488), wk = 0.0022624 k( 433) = ( 0.3333333 0.3333333 0.3902439), wk = 0.0022624 k( 434) = ( 0.3333333 0.3333333 0.4024390), wk = 0.0022624 k( 435) = ( 0.3333333 0.3333333 0.4146341), wk = 0.0022624 k( 436) = ( 0.3333333 0.3333333 0.4268293), wk = 0.0022624 k( 437) = ( 0.3333333 0.3333333 0.4390244), wk = 0.0022624 k( 438) = ( 0.3333333 0.3333333 0.4512195), wk = 0.0022624 k( 439) = ( 0.3333333 0.3333333 0.4634146), wk = 0.0022624 k( 440) = ( 0.3333333 0.3333333 0.4756098), wk = 0.0022624 k( 441) = ( 0.3333333 0.3333333 0.4878049), wk = 0.0022624 k( 442) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022624 Dense grid: 35887 G-vectors FFT dimensions: ( 45, 45, 50) Smooth grid: 9229 G-vectors FFT dimensions: ( 25, 25, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 62, 28) NL pseudopotentials 0.03 Mb ( 31, 62) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 749) G-vector shells 0.00 Mb ( 386) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 62, 112) Each subspace H/S matrix 0.19 Mb ( 112, 112) Each matrix 0.05 Mb ( 62, 2, 28) The potential is recalculated from file : ./PtN2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.0 secs Computing kpt #: 2 total cpu time spent up to now is 41.6 secs Computing kpt #: 3 total cpu time spent up to now is 42.2 secs Computing kpt #: 4 total cpu time spent up to now is 42.7 secs Computing kpt #: 5 total cpu time spent up to now is 43.5 secs Computing kpt #: 6 total cpu time spent up to now is 44.2 secs Computing kpt #: 7 total cpu time spent up to now is 45.4 secs Computing kpt #: 8 total cpu time spent up to now is 45.9 secs Computing kpt #: 9 total cpu time spent up to now is 46.4 secs Computing kpt #: 10 total cpu time spent up to now is 47.1 secs Computing kpt #: 11 total cpu time spent up to now is 47.6 secs Computing kpt #: 12 total cpu time spent up to now is 48.1 secs Computing kpt #: 13 total cpu time spent up to now is 48.7 secs Computing kpt #: 14 total cpu time spent up to now is 49.3 secs Computing kpt #: 15 total cpu time spent up to now is 49.8 secs Computing kpt #: 16 total cpu time spent up to now is 50.2 secs Computing kpt #: 17 total cpu time spent up to now is 50.7 secs Computing kpt #: 18 total cpu time spent up to now is 51.2 secs Computing kpt #: 19 total cpu time spent up to now is 51.8 secs Computing kpt #: 20 total cpu time spent up to now is 52.3 secs Computing kpt #: 21 total cpu time spent up to now is 52.7 secs Computing kpt #: 22 total cpu time spent up to now is 53.4 secs Computing kpt #: 23 total cpu time spent up to now is 53.8 secs Computing kpt #: 24 total cpu time spent up to now is 54.3 secs Computing kpt #: 25 total cpu time spent up to now is 54.7 secs Computing kpt #: 26 total cpu time spent up to now is 55.1 secs Computing kpt #: 27 total cpu time spent up to now is 55.5 secs Computing kpt #: 28 total cpu time spent up to now is 55.9 secs Computing kpt #: 29 total cpu time spent up to now is 56.3 secs Computing kpt #: 30 total cpu time spent up to now is 56.6 secs Computing kpt #: 31 total cpu time spent up to now is 57.0 secs Computing kpt #: 32 total cpu time spent up to now is 57.4 secs Computing kpt #: 33 total cpu time spent up to now is 57.8 secs Computing kpt #: 34 total cpu time spent up to now is 58.2 secs Computing kpt #: 35 total cpu time spent up to now is 58.6 secs Computing kpt #: 36 total cpu time spent up to now is 59.1 secs Computing kpt #: 37 total cpu time spent up to now is 59.5 secs Computing kpt #: 38 total cpu time spent up to now is 59.9 secs Computing kpt #: 39 total cpu time spent up to now is 60.4 secs Computing kpt #: 40 total cpu time spent up to now is 61.3 secs Computing kpt #: 41 total cpu time spent up to now is 61.9 secs Computing kpt #: 42 total cpu time spent up to now is 62.3 secs Computing kpt #: 43 total cpu time spent up to now is 62.7 secs Computing kpt #: 44 total cpu time spent up to now is 63.1 secs Computing kpt #: 45 total cpu time spent up to now is 63.6 secs Computing kpt #: 46 total cpu time spent up to now is 64.1 secs Computing kpt #: 47 total cpu time spent up to now is 64.5 secs Computing kpt #: 48 total cpu time spent up to now is 64.8 secs Computing kpt #: 49 total cpu time spent up to now is 65.1 secs Computing kpt #: 50 total cpu time spent up to now is 65.4 secs Computing kpt #: 51 total cpu time spent up to now is 65.8 secs Computing kpt #: 52 total cpu time spent up to now is 66.1 secs Computing kpt #: 53 total cpu time spent up to now is 66.4 secs Computing kpt #: 54 total cpu time spent up to now is 66.7 secs Computing kpt #: 55 total cpu time spent up to now is 67.1 secs Computing kpt #: 56 total cpu time spent up to now is 67.4 secs Computing kpt #: 57 total cpu time spent up to now is 67.8 secs Computing kpt #: 58 total cpu time spent up to now is 68.1 secs Computing kpt #: 59 total cpu time spent up to now is 68.6 secs Computing kpt #: 60 total cpu time spent up to now is 69.0 secs Computing kpt #: 61 total cpu time spent up to now is 69.5 secs Computing kpt #: 62 total cpu time spent up to now is 69.8 secs Computing kpt #: 63 total cpu time spent up to now is 70.1 secs Computing kpt #: 64 total cpu time spent up to now is 70.6 secs Computing kpt #: 65 total cpu time spent up to now is 71.0 secs Computing kpt #: 66 total cpu time spent up to now is 71.4 secs Computing kpt #: 67 total cpu time spent up to now is 71.8 secs Computing kpt #: 68 total cpu time spent up to now is 72.3 secs Computing kpt #: 69 total cpu time spent up to now is 72.6 secs Computing kpt #: 70 total cpu time spent up to now is 73.0 secs Computing kpt #: 71 total cpu time spent up to now is 73.3 secs Computing kpt #: 72 total cpu time spent up to now is 73.6 secs Computing kpt #: 73 total cpu time spent up to now is 73.9 secs Computing kpt #: 74 total cpu time spent up to now is 74.3 secs Computing kpt #: 75 total cpu time spent up to now is 74.6 secs Computing kpt #: 76 total cpu time spent up to now is 74.9 secs Computing kpt #: 77 total cpu time spent up to now is 75.3 secs Computing kpt #: 78 total cpu time spent up to now is 75.6 secs Computing kpt #: 79 total cpu time spent up to now is 75.9 secs Computing kpt #: 80 total cpu time spent up to now is 76.3 secs Computing kpt #: 81 total cpu time spent up to now is 76.7 secs Computing kpt #: 82 total cpu time spent up to now is 77.1 secs Computing kpt #: 83 total cpu time spent up to now is 77.5 secs Computing kpt #: 84 total cpu time spent up to now is 77.9 secs Computing kpt #: 85 total cpu time spent up to now is 78.3 secs Computing kpt #: 86 total cpu time spent up to now is 78.6 secs Computing kpt #: 87 total cpu time spent up to now is 79.0 secs Computing kpt #: 88 total cpu time spent up to now is 79.4 secs Computing kpt #: 89 total cpu time spent up to now is 79.7 secs Computing kpt #: 90 total cpu time spent up to now is 80.1 secs Computing kpt #: 91 total cpu time spent up to now is 80.4 secs Computing kpt #: 92 total cpu time spent up to now is 80.7 secs Computing kpt #: 93 total cpu time spent up to now is 81.0 secs Computing kpt #: 94 total cpu time spent up to now is 81.3 secs Computing kpt #: 95 total cpu time spent up to now is 81.7 secs Computing kpt #: 96 total cpu time spent up to now is 82.0 secs Computing kpt #: 97 total cpu time spent up to now is 82.3 secs Computing kpt #: 98 total cpu time spent up to now is 82.6 secs Computing kpt #: 99 total cpu time spent up to now is 82.9 secs Computing kpt #: 100 total cpu time spent up to now is 83.2 secs Computing kpt #: 101 total cpu time spent up to now is 83.6 secs Computing kpt #: 102 total cpu time spent up to now is 84.0 secs Computing kpt #: 103 total cpu time spent up to now is 84.4 secs Computing kpt #: 104 total cpu time spent up to now is 84.8 secs Computing kpt #: 105 total cpu time spent up to now is 85.5 secs Computing kpt #: 106 total cpu time spent up to now is 85.8 secs Computing kpt #: 107 total cpu time spent up to now is 86.2 secs Computing kpt #: 108 total cpu time spent up to now is 86.6 secs Computing kpt #: 109 total cpu time spent up to now is 87.0 secs Computing kpt #: 110 total cpu time spent up to now is 87.7 secs Computing kpt #: 111 total cpu time spent up to now is 88.2 secs Computing kpt #: 112 total cpu time spent up to now is 88.7 secs Computing kpt #: 113 total cpu time spent up to now is 89.1 secs Computing kpt #: 114 total cpu time spent up to now is 89.6 secs Computing kpt #: 115 total cpu time spent up to now is 90.1 secs Computing kpt #: 116 total cpu time spent up to now is 90.5 secs Computing kpt #: 117 total cpu time spent up to now is 90.9 secs Computing kpt #: 118 total cpu time spent up to now is 91.3 secs Computing kpt #: 119 total cpu time spent up to now is 91.7 secs Computing kpt #: 120 total cpu time spent up to now is 92.1 secs Computing kpt #: 121 total cpu time spent up to now is 92.4 secs Computing kpt #: 122 total cpu time spent up to now is 92.8 secs Computing kpt #: 123 total cpu time spent up to now is 93.2 secs Computing kpt #: 124 total cpu time spent up to now is 93.5 secs Computing kpt #: 125 total cpu time spent up to now is 93.9 secs Computing kpt #: 126 total cpu time spent up to now is 94.3 secs Computing kpt #: 127 total cpu time spent up to now is 94.7 secs Computing kpt #: 128 total cpu time spent up to now is 95.2 secs Computing kpt #: 129 total cpu time spent up to now is 95.7 secs Computing kpt #: 130 total cpu time spent up to now is 96.1 secs Computing kpt #: 131 total cpu time spent up to now is 96.7 secs Computing kpt #: 132 total cpu time spent up to now is 97.1 secs Computing kpt #: 133 total cpu time spent up to now is 97.7 secs Computing kpt #: 134 total cpu time spent up to now is 98.1 secs Computing kpt #: 135 total cpu time spent up to now is 98.6 secs Computing kpt #: 136 total cpu time spent up to now is 99.1 secs Computing kpt #: 137 total cpu time spent up to now is 99.5 secs Computing kpt #: 138 total cpu time spent up to now is 100.0 secs Computing kpt #: 139 total cpu time spent up to now is 100.4 secs Computing kpt #: 140 total cpu time spent up to now is 101.0 secs Computing kpt #: 141 total cpu time spent up to now is 101.6 secs Computing kpt #: 142 total cpu time spent up to now is 102.2 secs Computing kpt #: 143 total cpu time spent up to now is 103.2 secs Computing kpt #: 144 total cpu time spent up to now is 104.4 secs Computing kpt #: 145 total cpu time spent up to now is 105.2 secs Computing kpt #: 146 total cpu time spent up to now is 105.7 secs Computing kpt #: 147 total cpu time spent up to now is 106.3 secs Computing kpt #: 148 total cpu time spent up to now is 106.9 secs Computing kpt #: 149 total cpu time spent up to now is 107.7 secs Computing kpt #: 150 total cpu time spent up to now is 108.3 secs Computing kpt #: 151 total cpu time spent up to now is 108.9 secs Computing kpt #: 152 total cpu time spent up to now is 109.5 secs Computing kpt #: 153 total cpu time spent up to now is 110.0 secs Computing kpt #: 154 total cpu time spent up to now is 110.5 secs Computing kpt #: 155 total cpu time spent up to now is 111.0 secs Computing kpt #: 156 total cpu time spent up to now is 111.6 secs Computing kpt #: 157 total cpu time spent up to now is 112.3 secs Computing kpt #: 158 total cpu time spent up to now is 113.6 secs Computing kpt #: 159 total cpu time spent up to now is 115.0 secs Computing kpt #: 160 total cpu time spent up to now is 116.2 secs Computing kpt #: 161 total cpu time spent up to now is 116.7 secs Computing kpt #: 162 total cpu time spent up to now is 117.5 secs Computing kpt #: 163 total cpu time spent up to now is 118.1 secs Computing kpt #: 164 total cpu time spent up to now is 118.7 secs Computing kpt #: 165 total cpu time spent up to now is 119.0 secs Computing kpt #: 166 total cpu time spent up to now is 119.4 secs Computing kpt #: 167 total cpu time spent up to now is 119.8 secs Computing kpt #: 168 total cpu time spent up to now is 120.4 secs Computing kpt #: 169 total cpu time spent up to now is 120.7 secs Computing kpt #: 170 total cpu time spent up to now is 121.1 secs Computing kpt #: 171 total cpu time spent up to now is 121.4 secs Computing kpt #: 172 total cpu time spent up to now is 121.7 secs Computing kpt #: 173 total cpu time spent up to now is 122.1 secs Computing kpt #: 174 total cpu time spent up to now is 122.8 secs Computing kpt #: 175 total cpu time spent up to now is 123.2 secs Computing kpt #: 176 total cpu time spent up to now is 123.5 secs Computing kpt #: 177 total cpu time spent up to now is 123.9 secs Computing kpt #: 178 total cpu time spent up to now is 124.3 secs Computing kpt #: 179 total cpu time spent up to now is 124.6 secs Computing kpt #: 180 total cpu time spent up to now is 125.0 secs Computing kpt #: 181 total cpu time spent up to now is 125.6 secs Computing kpt #: 182 total cpu time spent up to now is 126.1 secs Computing kpt #: 183 total cpu time spent up to now is 126.6 secs Computing kpt #: 184 total cpu time spent up to now is 127.0 secs Computing kpt #: 185 total cpu time spent up to now is 127.4 secs Computing kpt #: 186 total cpu time spent up to now is 127.7 secs Computing kpt #: 187 total cpu time spent up to now is 128.0 secs Computing kpt #: 188 total cpu time spent up to now is 128.8 secs Computing kpt #: 189 total cpu time spent up to now is 129.1 secs Computing kpt #: 190 total cpu time spent up to now is 129.4 secs Computing kpt #: 191 total cpu time spent up to now is 129.7 secs Computing kpt #: 192 total cpu time spent up to now is 130.0 secs Computing kpt #: 193 total cpu time spent up to now is 130.3 secs Computing kpt #: 194 total cpu time spent up to now is 130.6 secs Computing kpt #: 195 total cpu time spent up to now is 130.9 secs Computing kpt #: 196 total cpu time spent up to now is 131.7 secs Computing kpt #: 197 total cpu time spent up to now is 132.6 secs Computing kpt #: 198 total cpu time spent up to now is 133.4 secs Computing kpt #: 199 total cpu time spent up to now is 134.7 secs Computing kpt #: 200 total cpu time spent up to now is 135.7 secs Computing kpt #: 201 total cpu time spent up to now is 136.4 secs Computing kpt #: 202 total cpu time spent up to now is 136.7 secs Computing kpt #: 203 total cpu time spent up to now is 137.3 secs Computing kpt #: 204 total cpu time spent up to now is 137.9 secs Computing kpt #: 205 total cpu time spent up to now is 138.2 secs Computing kpt #: 206 total cpu time spent up to now is 138.6 secs Computing kpt #: 207 total cpu time spent up to now is 138.9 secs Computing kpt #: 208 total cpu time spent up to now is 139.3 secs Computing kpt #: 209 total cpu time spent up to now is 139.6 secs Computing kpt #: 210 total cpu time spent up to now is 140.0 secs Computing kpt #: 211 total cpu time spent up to now is 140.3 secs Computing kpt #: 212 total cpu time spent up to now is 140.7 secs Computing kpt #: 213 total cpu time spent up to now is 141.3 secs Computing kpt #: 214 total cpu time spent up to now is 141.6 secs Computing kpt #: 215 total cpu time spent up to now is 141.9 secs Computing kpt #: 216 total cpu time spent up to now is 142.2 secs Computing kpt #: 217 total cpu time spent up to now is 142.5 secs Computing kpt #: 218 total cpu time spent up to now is 142.8 secs Computing kpt #: 219 total cpu time spent up to now is 143.1 secs Computing kpt #: 220 total cpu time spent up to now is 143.4 secs Computing kpt #: 221 total cpu time spent up to now is 143.7 secs Computing kpt #: 222 total cpu time spent up to now is 144.0 secs Computing kpt #: 223 total cpu time spent up to now is 144.3 secs Computing kpt #: 224 total cpu time spent up to now is 144.6 secs Computing kpt #: 225 total cpu time spent up to now is 144.9 secs Computing kpt #: 226 total cpu time spent up to now is 145.2 secs Computing kpt #: 227 total cpu time spent up to now is 145.6 secs Computing kpt #: 228 total cpu time spent up to now is 146.0 secs Computing kpt #: 229 total cpu time spent up to now is 146.4 secs Computing kpt #: 230 total cpu time spent up to now is 146.8 secs Computing kpt #: 231 total cpu time spent up to now is 147.3 secs Computing kpt #: 232 total cpu time spent up to now is 147.7 secs Computing kpt #: 233 total cpu time spent up to now is 148.0 secs Computing kpt #: 234 total cpu time spent up to now is 148.6 secs Computing kpt #: 235 total cpu time spent up to now is 149.0 secs Computing kpt #: 236 total cpu time spent up to now is 149.7 secs Computing kpt #: 237 total cpu time spent up to now is 150.0 secs Computing kpt #: 238 total cpu time spent up to now is 150.6 secs Computing kpt #: 239 total cpu time spent up to now is 151.5 secs Computing kpt #: 240 total cpu time spent up to now is 152.6 secs Computing kpt #: 241 total cpu time spent up to now is 153.4 secs Computing kpt #: 242 total cpu time spent up to now is 154.1 secs Computing kpt #: 243 total cpu time spent up to now is 154.4 secs Computing kpt #: 244 total cpu time spent up to now is 154.8 secs Computing kpt #: 245 total cpu time spent up to now is 155.2 secs Computing kpt #: 246 total cpu time spent up to now is 155.7 secs Computing kpt #: 247 total cpu time spent up to now is 156.1 secs Computing kpt #: 248 total cpu time spent up to now is 156.6 secs Computing kpt #: 249 total cpu time spent up to now is 157.1 secs Computing kpt #: 250 total cpu time spent up to now is 157.7 secs Computing kpt #: 251 total cpu time spent up to now is 158.1 secs Computing kpt #: 252 total cpu time spent up to now is 158.6 secs Computing kpt #: 253 total cpu time spent up to now is 159.1 secs Computing kpt #: 254 total cpu time spent up to now is 159.5 secs Computing kpt #: 255 total cpu time spent up to now is 160.0 secs Computing kpt #: 256 total cpu time spent up to now is 160.4 secs Computing kpt #: 257 total cpu time spent up to now is 160.9 secs Computing kpt #: 258 total cpu time spent up to now is 161.3 secs Computing kpt #: 259 total cpu time spent up to now is 161.8 secs Computing kpt #: 260 total cpu time spent up to now is 162.2 secs Computing kpt #: 261 total cpu time spent up to now is 162.7 secs Computing kpt #: 262 total cpu time spent up to now is 163.2 secs Computing kpt #: 263 total cpu time spent up to now is 163.7 secs Computing kpt #: 264 total cpu time spent up to now is 164.1 secs Computing kpt #: 265 total cpu time spent up to now is 164.9 secs Computing kpt #: 266 total cpu time spent up to now is 165.4 secs Computing kpt #: 267 total cpu time spent up to now is 166.1 secs Computing kpt #: 268 total cpu time spent up to now is 167.9 secs Computing kpt #: 269 total cpu time spent up to now is 169.0 secs Computing kpt #: 270 total cpu time spent up to now is 170.2 secs Computing kpt #: 271 total cpu time spent up to now is 170.7 secs Computing kpt #: 272 total cpu time spent up to now is 171.4 secs Computing kpt #: 273 total cpu time spent up to now is 171.8 secs Computing kpt #: 274 total cpu time spent up to now is 172.5 secs Computing kpt #: 275 total cpu time spent up to now is 173.2 secs Computing kpt #: 276 total cpu time spent up to now is 173.6 secs Computing kpt #: 277 total cpu time spent up to now is 174.1 secs Computing kpt #: 278 total cpu time spent up to now is 174.6 secs Computing kpt #: 279 total cpu time spent up to now is 175.1 secs Computing kpt #: 280 total cpu time spent up to now is 175.7 secs Computing kpt #: 281 total cpu time spent up to now is 176.2 secs Computing kpt #: 282 total cpu time spent up to now is 176.7 secs Computing kpt #: 283 total cpu time spent up to now is 177.2 secs Computing kpt #: 284 total cpu time spent up to now is 177.8 secs Computing kpt #: 285 total cpu time spent up to now is 178.3 secs Computing kpt #: 286 total cpu time spent up to now is 178.8 secs Computing kpt #: 287 total cpu time spent up to now is 179.3 secs Computing kpt #: 288 total cpu time spent up to now is 179.9 secs Computing kpt #: 289 total cpu time spent up to now is 180.6 secs Computing kpt #: 290 total cpu time spent up to now is 181.3 secs Computing kpt #: 291 total cpu time spent up to now is 181.9 secs Computing kpt #: 292 total cpu time spent up to now is 182.5 secs Computing kpt #: 293 total cpu time spent up to now is 183.3 secs Computing kpt #: 294 total cpu time spent up to now is 183.9 secs Computing kpt #: 295 total cpu time spent up to now is 185.2 secs Computing kpt #: 296 total cpu time spent up to now is 186.5 secs Computing kpt #: 297 total cpu time spent up to now is 187.7 secs Computing kpt #: 298 total cpu time spent up to now is 188.6 secs Computing kpt #: 299 total cpu time spent up to now is 189.1 secs Computing kpt #: 300 total cpu time spent up to now is 189.6 secs Computing kpt #: 301 total cpu time spent up to now is 190.1 secs Computing kpt #: 302 total cpu time spent up to now is 190.6 secs Computing kpt #: 303 total cpu time spent up to now is 191.0 secs Computing kpt #: 304 total cpu time spent up to now is 191.5 secs Computing kpt #: 305 total cpu time spent up to now is 192.0 secs Computing kpt #: 306 total cpu time spent up to now is 192.4 secs Computing kpt #: 307 total cpu time spent up to now is 192.9 secs Computing kpt #: 308 total cpu time spent up to now is 193.3 secs Computing kpt #: 309 total cpu time spent up to now is 193.7 secs Computing kpt #: 310 total cpu time spent up to now is 194.2 secs Computing kpt #: 311 total cpu time spent up to now is 194.6 secs Computing kpt #: 312 total cpu time spent up to now is 195.1 secs Computing kpt #: 313 total cpu time spent up to now is 195.7 secs Computing kpt #: 314 total cpu time spent up to now is 196.2 secs Computing kpt #: 315 total cpu time spent up to now is 196.6 secs Computing kpt #: 316 total cpu time spent up to now is 197.0 secs Computing kpt #: 317 total cpu time spent up to now is 197.5 secs Computing kpt #: 318 total cpu time spent up to now is 197.9 secs Computing kpt #: 319 total cpu time spent up to now is 198.6 secs Computing kpt #: 320 total cpu time spent up to now is 199.3 secs Computing kpt #: 321 total cpu time spent up to now is 199.9 secs Computing kpt #: 322 total cpu time spent up to now is 200.3 secs Computing kpt #: 323 total cpu time spent up to now is 201.3 secs Computing kpt #: 324 total cpu time spent up to now is 202.0 secs Computing kpt #: 325 total cpu time spent up to now is 202.3 secs Computing kpt #: 326 total cpu time spent up to now is 202.7 secs Computing kpt #: 327 total cpu time spent up to now is 203.0 secs Computing kpt #: 328 total cpu time spent up to now is 203.3 secs Computing kpt #: 329 total cpu time spent up to now is 203.6 secs Computing kpt #: 330 total cpu time spent up to now is 203.9 secs Computing kpt #: 331 total cpu time spent up to now is 204.2 secs Computing kpt #: 332 total cpu time spent up to now is 204.5 secs Computing kpt #: 333 total cpu time spent up to now is 205.1 secs Computing kpt #: 334 total cpu time spent up to now is 205.8 secs Computing kpt #: 335 total cpu time spent up to now is 206.8 secs Computing kpt #: 336 total cpu time spent up to now is 207.7 secs Computing kpt #: 337 total cpu time spent up to now is 208.4 secs Computing kpt #: 338 total cpu time spent up to now is 209.0 secs Computing kpt #: 339 total cpu time spent up to now is 209.3 secs Computing kpt #: 340 total cpu time spent up to now is 209.6 secs Computing kpt #: 341 total cpu time spent up to now is 209.9 secs Computing kpt #: 342 total cpu time spent up to now is 210.2 secs Computing kpt #: 343 total cpu time spent up to now is 210.5 secs Computing kpt #: 344 total cpu time spent up to now is 210.8 secs Computing kpt #: 345 total cpu time spent up to now is 211.1 secs Computing kpt #: 346 total cpu time spent up to now is 211.5 secs Computing kpt #: 347 total cpu time spent up to now is 211.8 secs Computing kpt #: 348 total cpu time spent up to now is 212.1 secs Computing kpt #: 349 total cpu time spent up to now is 212.4 secs Computing kpt #: 350 total cpu time spent up to now is 212.7 secs Computing kpt #: 351 total cpu time spent up to now is 213.0 secs Computing kpt #: 352 total cpu time spent up to now is 213.3 secs Computing kpt #: 353 total cpu time spent up to now is 213.6 secs Computing kpt #: 354 total cpu time spent up to now is 213.9 secs Computing kpt #: 355 total cpu time spent up to now is 214.2 secs Computing kpt #: 356 total cpu time spent up to now is 214.5 secs Computing kpt #: 357 total cpu time spent up to now is 214.8 secs Computing kpt #: 358 total cpu time spent up to now is 215.1 secs Computing kpt #: 359 total cpu time spent up to now is 215.6 secs Computing kpt #: 360 total cpu time spent up to now is 216.0 secs Computing kpt #: 361 total cpu time spent up to now is 216.5 secs Computing kpt #: 362 total cpu time spent up to now is 217.0 secs Computing kpt #: 363 total cpu time spent up to now is 217.4 secs Computing kpt #: 364 total cpu time spent up to now is 217.9 secs Computing kpt #: 365 total cpu time spent up to now is 218.4 secs Computing kpt #: 366 total cpu time spent up to now is 218.8 secs Computing kpt #: 367 total cpu time spent up to now is 219.3 secs Computing kpt #: 368 total cpu time spent up to now is 219.7 secs Computing kpt #: 369 total cpu time spent up to now is 220.2 secs Computing kpt #: 370 total cpu time spent up to now is 220.6 secs Computing kpt #: 371 total cpu time spent up to now is 221.0 secs Computing kpt #: 372 total cpu time spent up to now is 221.4 secs Computing kpt #: 373 total cpu time spent up to now is 221.8 secs Computing kpt #: 374 total cpu time spent up to now is 222.2 secs Computing kpt #: 375 total cpu time spent up to now is 222.6 secs Computing kpt #: 376 total cpu time spent up to now is 223.0 secs Computing kpt #: 377 total cpu time spent up to now is 223.4 secs Computing kpt #: 378 total cpu time spent up to now is 223.7 secs Computing kpt #: 379 total cpu time spent up to now is 224.5 secs Computing kpt #: 380 total cpu time spent up to now is 225.5 secs Computing kpt #: 381 total cpu time spent up to now is 226.6 secs Computing kpt #: 382 total cpu time spent up to now is 227.5 secs Computing kpt #: 383 total cpu time spent up to now is 228.5 secs Computing kpt #: 384 total cpu time spent up to now is 228.9 secs Computing kpt #: 385 total cpu time spent up to now is 229.2 secs Computing kpt #: 386 total cpu time spent up to now is 229.6 secs Computing kpt #: 387 total cpu time spent up to now is 229.9 secs Computing kpt #: 388 total cpu time spent up to now is 230.3 secs Computing kpt #: 389 total cpu time spent up to now is 230.6 secs Computing kpt #: 390 total cpu time spent up to now is 230.9 secs Computing kpt #: 391 total cpu time spent up to now is 231.4 secs Computing kpt #: 392 total cpu time spent up to now is 231.8 secs Computing kpt #: 393 total cpu time spent up to now is 232.1 secs Computing kpt #: 394 total cpu time spent up to now is 232.5 secs Computing kpt #: 395 total cpu time spent up to now is 232.8 secs Computing kpt #: 396 total cpu time spent up to now is 233.1 secs Computing kpt #: 397 total cpu time spent up to now is 233.4 secs Computing kpt #: 398 total cpu time spent up to now is 233.8 secs Computing kpt #: 399 total cpu time spent up to now is 234.1 secs Computing kpt #: 400 total cpu time spent up to now is 234.4 secs Computing kpt #: 401 total cpu time spent up to now is 234.7 secs Computing kpt #: 402 total cpu time spent up to now is 235.0 secs Computing kpt #: 403 total cpu time spent up to now is 235.3 secs Computing kpt #: 404 total cpu time spent up to now is 235.6 secs Computing kpt #: 405 total cpu time spent up to now is 235.9 secs Computing kpt #: 406 total cpu time spent up to now is 236.2 secs Computing kpt #: 407 total cpu time spent up to now is 236.5 secs Computing kpt #: 408 total cpu time spent up to now is 236.8 secs Computing kpt #: 409 total cpu time spent up to now is 237.1 secs Computing kpt #: 410 total cpu time spent up to now is 237.5 secs Computing kpt #: 411 total cpu time spent up to now is 237.8 secs Computing kpt #: 412 total cpu time spent up to now is 238.1 secs Computing kpt #: 413 total cpu time spent up to now is 238.4 secs Computing kpt #: 414 total cpu time spent up to now is 238.7 secs Computing kpt #: 415 total cpu time spent up to now is 239.0 secs Computing kpt #: 416 total cpu time spent up to now is 239.3 secs Computing kpt #: 417 total cpu time spent up to now is 239.6 secs Computing kpt #: 418 total cpu time spent up to now is 240.0 secs Computing kpt #: 419 total cpu time spent up to now is 240.3 secs Computing kpt #: 420 total cpu time spent up to now is 240.6 secs Computing kpt #: 421 total cpu time spent up to now is 241.0 secs Computing kpt #: 422 total cpu time spent up to now is 241.3 secs Computing kpt #: 423 total cpu time spent up to now is 241.6 secs Computing kpt #: 424 total cpu time spent up to now is 242.0 secs Computing kpt #: 425 total cpu time spent up to now is 242.7 secs Computing kpt #: 426 total cpu time spent up to now is 243.9 secs Computing kpt #: 427 total cpu time spent up to now is 245.0 secs Computing kpt #: 428 total cpu time spent up to now is 246.2 secs Computing kpt #: 429 total cpu time spent up to now is 247.6 secs Computing kpt #: 430 total cpu time spent up to now is 248.1 secs Computing kpt #: 431 total cpu time spent up to now is 248.8 secs Computing kpt #: 432 total cpu time spent up to now is 249.4 secs Computing kpt #: 433 total cpu time spent up to now is 250.3 secs Computing kpt #: 434 total cpu time spent up to now is 250.8 secs Computing kpt #: 435 total cpu time spent up to now is 251.6 secs Computing kpt #: 436 total cpu time spent up to now is 252.1 secs Computing kpt #: 437 total cpu time spent up to now is 252.6 secs Computing kpt #: 438 total cpu time spent up to now is 253.1 secs Computing kpt #: 439 total cpu time spent up to now is 253.7 secs Computing kpt #: 440 total cpu time spent up to now is 254.3 secs Computing kpt #: 441 total cpu time spent up to now is 255.2 secs Computing kpt #: 442 total cpu time spent up to now is 255.7 secs ethr = 5.00E-11, avg # of iterations = 23.6 total cpu time spent up to now is 255.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1155 PWs) bands (ev): -11.3730 -11.3730 0.6455 0.6455 0.9460 0.9460 4.2705 4.2705 4.4333 4.4333 7.2609 7.2609 8.1725 8.1725 8.4323 8.4323 9.1381 9.1381 9.7217 9.7217 13.6277 13.6277 14.0271 14.0271 14.1634 14.1634 21.9505 21.9505 k = 0.0088 0.0051-0.0000 ( 1153 PWs) bands (ev): -11.3727 -11.3727 0.6452 0.6452 0.9468 0.9468 4.2698 4.2698 4.4325 4.4325 7.2611 7.2611 8.1721 8.1721 8.4326 8.4326 9.1384 9.1384 9.7218 9.7218 13.6301 13.6301 14.0268 14.0268 14.1631 14.1631 21.9457 21.9457 k = 0.0175 0.0101-0.0000 ( 1151 PWs) bands (ev): -11.3719 -11.3719 0.6443 0.6443 0.9493 0.9493 4.2674 4.2674 4.4300 4.4300 7.2614 7.2614 8.1710 8.1710 8.4336 8.4336 9.1392 9.1392 9.7223 9.7223 13.6371 13.6371 14.0257 14.0257 14.1625 14.1625 21.9326 21.9326 k = 0.0263 0.0152-0.0000 ( 1149 PWs) bands (ev): -11.3705 -11.3705 0.6429 0.6429 0.9534 0.9534 4.2630 4.2630 4.4261 4.4261 7.2620 7.2620 8.1692 8.1692 8.4351 8.4351 9.1405 9.1405 9.7232 9.7232 13.6488 13.6488 14.0234 14.0234 14.1621 14.1621 21.9131 21.9131 k = 0.0351 0.0203-0.0000 ( 1149 PWs) bands (ev): -11.3686 -11.3686 0.6410 0.6410 0.9592 0.9592 4.2563 4.2563 4.4212 4.4212 7.2627 7.2627 8.1666 8.1666 8.4371 8.4371 9.1424 9.1424 9.7244 9.7244 13.6651 13.6651 14.0193 14.0193 14.1624 14.1624 21.8884 21.8884 k = 0.0439 0.0253-0.0000 ( 1153 PWs) bands (ev): -11.3661 -11.3661 0.6385 0.6385 0.9666 0.9666 4.2468 4.2468 4.4160 4.4160 7.2635 7.2635 8.1635 8.1635 8.4395 8.4395 9.1449 9.1449 9.7260 9.7260 13.6858 13.6858 14.0124 14.0124 14.1643 14.1643 21.8591 21.8591 k = 0.0526 0.0304-0.0000 ( 1149 PWs) bands (ev): -11.3630 -11.3630 0.6354 0.6354 0.9756 0.9756 4.2339 4.2339 4.4111 4.4111 7.2644 7.2644 8.1598 8.1598 8.4423 8.4423 9.1481 9.1481 9.7280 9.7280 13.7109 13.7109 14.0024 14.0024 14.1686 14.1686 21.8252 21.8252 k = 0.0614 0.0355-0.0000 ( 1149 PWs) bands (ev): -11.3595 -11.3595 0.6319 0.6319 0.9861 0.9861 4.2173 4.2173 4.4070 4.4070 7.2652 7.2652 8.1556 8.1556 8.4452 8.4452 9.1520 9.1520 9.7306 9.7306 13.7399 13.7399 13.9890 13.9890 14.1758 14.1758 21.7866 21.7866 k = 0.0702 0.0405-0.0000 ( 1157 PWs) bands (ev): -11.3554 -11.3554 0.6278 0.6278 0.9982 0.9982 4.1967 4.1967 4.4041 4.4041 7.2658 7.2658 8.1509 8.1509 8.4483 8.4483 9.1567 9.1567 9.7336 9.7336 13.7728 13.7728 13.9721 13.9721 14.1857 14.1857 21.7431 21.7431 k = 0.0789 0.0456-0.0000 ( 1157 PWs) bands (ev): -11.3508 -11.3508 0.6233 0.6233 1.0118 1.0118 4.1722 4.1722 4.4027 4.4027 7.2662 7.2662 8.1459 8.1459 8.4514 8.4514 9.1622 9.1622 9.7372 9.7372 13.8088 13.8088 13.9526 13.9526 14.1985 14.1985 21.6945 21.6945 k = 0.0877 0.0506-0.0000 ( 1157 PWs) bands (ev): -11.3458 -11.3458 0.6183 0.6183 1.0268 1.0268 4.1440 4.1440 4.4026 4.4026 7.2664 7.2664 8.1405 8.1405 8.4545 8.4545 9.1686 9.1686 9.7415 9.7415 13.8464 13.8464 13.9322 13.9322 14.2139 14.2139 21.6406 21.6406 k = 0.0965 0.0557-0.0000 ( 1157 PWs) bands (ev): -11.3402 -11.3402 0.6128 0.6128 1.0431 1.0431 4.1123 4.1123 4.4038 4.4038 7.2661 7.2661 8.1348 8.1348 8.4576 8.4576 9.1758 9.1758 9.7464 9.7464 13.8738 13.8738 13.9225 13.9225 14.2316 14.2316 21.5815 21.5815 k = 0.1053 0.0608-0.0000 ( 1157 PWs) bands (ev): -11.3341 -11.3341 0.6070 0.6070 1.0609 1.0609 4.0776 4.0776 4.4060 4.4060 7.2654 7.2654 8.1289 8.1289 8.4605 8.4605 9.1840 9.1840 9.7520 9.7520 13.8624 13.8624 13.9526 13.9526 14.2515 14.2515 21.5172 21.5172 k = 0.1140 0.0658-0.0000 ( 1161 PWs) bands (ev): -11.3277 -11.3277 0.6007 0.6007 1.0799 1.0799 4.0401 4.0401 4.4092 4.4092 7.2642 7.2642 8.1226 8.1226 8.4634 8.4634 9.1930 9.1930 9.7584 9.7584 13.8351 13.8351 13.9991 13.9991 14.2732 14.2732 21.4480 21.4480 k = 0.1228 0.0709-0.0000 ( 1161 PWs) bands (ev): -11.3208 -11.3208 0.5941 0.5941 1.1000 1.1000 4.0002 4.0002 4.4133 4.4133 7.2624 7.2624 8.1161 8.1161 8.4662 8.4662 9.2030 9.2030 9.7655 9.7655 13.8041 13.8041 14.0503 14.0503 14.2969 14.2969 21.3740 21.3740 k = 0.1316 0.0760-0.0000 ( 1161 PWs) bands (ev): -11.3134 -11.3134 0.5872 0.5872 1.1214 1.1214 3.9583 3.9583 4.4180 4.4180 7.2600 7.2600 8.1092 8.1092 8.4690 8.4690 9.2137 9.2137 9.7734 9.7734 13.7712 13.7712 14.1041 14.1041 14.3224 14.3224 21.2958 21.2958 k = 0.1404 0.0810-0.0000 ( 1159 PWs) bands (ev): -11.3057 -11.3057 0.5799 0.5799 1.1438 1.1438 3.9146 3.9146 4.4233 4.4233 7.2570 7.2570 8.1021 8.1021 8.4719 8.4719 9.2253 9.2253 9.7821 9.7821 13.7369 13.7369 14.1599 14.1599 14.3495 14.3495 21.2136 21.2136 k = 0.1491 0.0861-0.0000 ( 1167 PWs) bands (ev): -11.2976 -11.2976 0.5724 0.5724 1.1672 1.1672 3.8693 3.8693 4.4291 4.4291 7.2535 7.2535 8.0947 8.0947 8.4749 8.4749 9.2375 9.2375 9.7916 9.7916 13.7017 13.7017 14.2170 14.2170 14.3782 14.3782 21.1279 21.1279 k = 0.1579 0.0912-0.0000 ( 1167 PWs) bands (ev): -11.2892 -11.2892 0.5646 0.5646 1.1915 1.1915 3.8228 3.8228 4.4353 4.4353 7.2493 7.2493 8.0869 8.0869 8.4780 8.4780 9.2504 9.2504 9.8018 9.8018 13.6659 13.6659 14.2746 14.2746 14.4090 14.4090 21.0393 21.0393 k = 0.1667 0.0962-0.0000 ( 1171 PWs) bands (ev): -11.2804 -11.2804 0.5565 0.5565 1.2167 1.2167 3.7752 3.7752 4.4419 4.4419 7.2447 7.2447 8.0788 8.0788 8.4815 8.4815 9.2639 9.2639 9.8127 9.8127 13.6299 13.6299 14.3319 14.3319 14.4422 14.4422 20.9483 20.9483 k = 0.1754 0.1013-0.0000 ( 1171 PWs) bands (ev): -11.2713 -11.2713 0.5483 0.5483 1.2426 1.2426 3.7269 3.7269 4.4487 4.4487 7.2395 7.2395 8.0704 8.0704 8.4852 8.4852 9.2779 9.2779 9.8244 9.8244 13.5938 13.5938 14.3873 14.3873 14.4789 14.4789 20.8552 20.8552 k = 0.1842 0.1064-0.0000 ( 1171 PWs) bands (ev): -11.2620 -11.2620 0.5399 0.5399 1.2692 1.2692 3.6781 3.6781 4.4558 4.4558 7.2339 7.2339 8.0617 8.0617 8.4893 8.4893 9.2923 9.2923 9.8367 9.8367 13.5578 13.5578 14.4387 14.4387 14.5206 14.5206 20.7606 20.7606 k = 0.1930 0.1114-0.0000 ( 1171 PWs) bands (ev): -11.2524 -11.2524 0.5313 0.5313 1.2963 1.2963 3.6289 3.6289 4.4630 4.4630 7.2279 7.2279 8.0528 8.0528 8.4937 8.4937 9.3071 9.3071 9.8497 9.8497 13.5222 13.5222 14.4847 14.4847 14.5684 14.5684 20.6650 20.6650 k = 0.2018 0.1165-0.0000 ( 1171 PWs) bands (ev): -11.2426 -11.2426 0.5227 0.5227 1.3238 1.3238 3.5795 3.5795 4.4704 4.4704 7.2216 7.2216 8.0437 8.0437 8.4985 8.4985 9.3221 9.3221 9.8632 9.8632 13.4871 13.4871 14.5255 14.5255 14.6216 14.6216 20.5686 20.5686 k = 0.2105 0.1215-0.0000 ( 1175 PWs) bands (ev): -11.2326 -11.2326 0.5139 0.5139 1.3517 1.3517 3.5300 3.5300 4.4778 4.4778 7.2150 7.2150 8.0344 8.0344 8.5036 8.5036 9.3373 9.3373 9.8771 9.8771 13.4528 13.4528 14.5631 14.5631 14.6778 14.6778 20.4719 20.4719 k = 0.2193 0.1266-0.0000 ( 1171 PWs) bands (ev): -11.2224 -11.2224 0.5051 0.5051 1.3798 1.3798 3.4808 3.4808 4.4854 4.4854 7.2083 7.2083 8.0252 8.0252 8.5090 8.5090 9.3526 9.3526 9.8916 9.8916 13.4196 13.4196 14.5989 14.5989 14.7351 14.7351 20.3752 20.3752 k = 0.2281 0.1317-0.0000 ( 1171 PWs) bands (ev): -11.2121 -11.2121 0.4962 0.4962 1.4080 1.4080 3.4319 3.4319 4.4929 4.4929 7.2015 7.2015 8.0160 8.0160 8.5147 8.5147 9.3680 9.3680 9.9065 9.9065 13.3872 13.3872 14.6336 14.6336 14.7922 14.7922 20.2788 20.2788 k = 0.2368 0.1367-0.0000 ( 1173 PWs) bands (ev): -11.2017 -11.2017 0.4874 0.4874 1.4363 1.4363 3.3835 3.3835 4.5004 4.5004 7.1947 7.1947 8.0069 8.0069 8.5205 8.5205 9.3834 9.3834 9.9216 9.9216 13.3560 13.3560 14.6677 14.6677 14.8484 14.8484 20.1831 20.1831 k = 0.2456 0.1418-0.0000 ( 1173 PWs) bands (ev): -11.1912 -11.1912 0.4786 0.4786 1.4644 1.4644 3.3358 3.3358 4.5079 4.5079 7.1879 7.1879 7.9982 7.9982 8.5265 8.5265 9.3988 9.3988 9.9371 9.9371 13.3261 13.3261 14.7013 14.7013 14.9031 14.9031 20.0884 20.0884 k = 0.2544 0.1469-0.0000 ( 1167 PWs) bands (ev): -11.1807 -11.1807 0.4698 0.4698 1.4923 1.4923 3.2889 3.2889 4.5153 4.5153 7.1812 7.1812 7.9898 7.9898 8.5325 8.5325 9.4140 9.4140 9.9527 9.9527 13.2979 13.2979 14.7344 14.7344 14.9559 14.9559 19.9948 19.9948 k = 0.2632 0.1519-0.0000 ( 1163 PWs) bands (ev): -11.1702 -11.1702 0.4611 0.4611 1.5199 1.5199 3.2429 3.2429 4.5226 4.5226 7.1746 7.1746 7.9819 7.9819 8.5386 8.5386 9.4291 9.4291 9.9685 9.9685 13.2708 13.2708 14.7672 14.7672 15.0063 15.0063 19.9028 19.9028 k = 0.2719 0.1570-0.0000 ( 1163 PWs) bands (ev): -11.1597 -11.1597 0.4526 0.4526 1.5470 1.5470 3.1979 3.1979 4.5298 4.5298 7.1682 7.1682 7.9746 7.9746 8.5445 8.5445 9.4439 9.4439 9.9844 9.9844 13.2454 13.2454 14.7994 14.7994 15.0541 15.0541 19.8125 19.8125 k = 0.2807 0.1621-0.0000 ( 1159 PWs) bands (ev): -11.1493 -11.1493 0.4441 0.4441 1.5736 1.5736 3.1542 3.1542 4.5368 4.5368 7.1619 7.1619 7.9680 7.9680 8.5502 8.5502 9.4584 9.4584 10.0004 10.0004 13.2216 13.2216 14.8312 14.8312 15.0989 15.0989 19.7242 19.7242 k = 0.2895 0.1671-0.0000 ( 1159 PWs) bands (ev): -11.1389 -11.1389 0.4358 0.4358 1.5995 1.5995 3.1117 3.1117 4.5436 4.5436 7.1559 7.1559 7.9622 7.9622 8.5557 8.5557 9.4726 9.4726 10.0163 10.0163 13.1993 13.1993 14.8623 14.8623 15.1405 15.1405 19.6381 19.6381 k = 0.2982 0.1722-0.0000 ( 1159 PWs) bands (ev): -11.1287 -11.1287 0.4277 0.4277 1.6246 1.6246 3.0706 3.0706 4.5503 4.5503 7.1501 7.1501 7.9572 7.9572 8.5609 8.5609 9.4864 9.4864 10.0322 10.0322 13.1788 13.1788 14.8928 14.8928 15.1788 15.1788 19.5544 19.5544 k = 0.3070 0.1773-0.0000 ( 1161 PWs) bands (ev): -11.1186 -11.1186 0.4198 0.4198 1.6489 1.6489 3.0311 3.0311 4.5567 4.5567 7.1446 7.1446 7.9532 7.9532 8.5658 8.5658 9.4998 9.4998 10.0480 10.0480 13.1598 13.1598 14.9224 14.9224 15.2136 15.2136 19.4736 19.4736 k = 0.3158 0.1823-0.0000 ( 1157 PWs) bands (ev): -11.1087 -11.1087 0.4120 0.4120 1.6722 1.6722 2.9931 2.9931 4.5629 4.5629 7.1393 7.1393 7.9502 7.9502 8.5702 8.5702 9.5127 9.5127 10.0637 10.0637 13.1426 13.1426 14.9514 14.9514 15.2448 15.2448 19.3956 19.3956 k = 0.3246 0.1874-0.0000 ( 1161 PWs) bands (ev): -11.0991 -11.0991 0.4045 0.4045 1.6943 1.6943 2.9568 2.9568 4.5688 4.5688 7.1342 7.1342 7.9483 7.9483 8.5742 8.5742 9.5251 9.5251 10.0791 10.0791 13.1268 13.1268 14.9795 14.9795 15.2721 15.2721 19.3207 19.3207 k = 0.3333 0.1925-0.0000 ( 1161 PWs) bands (ev): -11.0897 -11.0897 0.3973 0.3973 1.7154 1.7154 2.9223 2.9223 4.5744 4.5744 7.1293 7.1293 7.9474 7.9474 8.5778 8.5778 9.5369 9.5369 10.0944 10.0944 13.1127 13.1127 15.0066 15.0066 15.2958 15.2958 19.2491 19.2491 k = 0.3421 0.1975-0.0000 ( 1161 PWs) bands (ev): -11.0805 -11.0805 0.3903 0.3903 1.7353 1.7353 2.8897 2.8897 4.5798 4.5798 7.1247 7.1247 7.9476 7.9476 8.5808 8.5808 9.5482 9.5482 10.1093 10.1093 13.1002 13.1002 15.0328 15.0328 15.3158 15.3158 19.1810 19.1810 k = 0.3509 0.2026-0.0000 ( 1163 PWs) bands (ev): -11.0717 -11.0717 0.3836 0.3836 1.7538 1.7538 2.8589 2.8589 4.5850 4.5850 7.1203 7.1203 7.9489 7.9489 8.5833 8.5833 9.5588 9.5588 10.1240 10.1240 13.0889 13.0889 15.0578 15.0578 15.3321 15.3321 19.1165 19.1165 k = 0.3596 0.2076-0.0000 ( 1163 PWs) bands (ev): -11.0632 -11.0632 0.3772 0.3772 1.7710 1.7710 2.8302 2.8302 4.5898 4.5898 7.1161 7.1161 7.9511 7.9511 8.5854 8.5854 9.5689 9.5689 10.1383 10.1383 13.0791 13.0791 15.0818 15.0818 15.3450 15.3450 19.0557 19.0557 k = 0.3684 0.2127-0.0000 ( 1161 PWs) bands (ev): -11.0551 -11.0551 0.3712 0.3712 1.7869 1.7869 2.8034 2.8034 4.5944 4.5944 7.1121 7.1121 7.9543 7.9543 8.5869 8.5869 9.5783 9.5783 10.1522 10.1522 13.0707 13.0707 15.1047 15.1047 15.3546 15.3546 18.9988 18.9988 k = 0.3772 0.2178-0.0000 ( 1161 PWs) bands (ev): -11.0473 -11.0473 0.3654 0.3654 1.8015 1.8015 2.7786 2.7786 4.5987 4.5987 7.1083 7.1083 7.9584 7.9584 8.5880 8.5880 9.5870 9.5870 10.1656 10.1656 13.0634 13.0634 15.1263 15.1263 15.3612 15.3612 18.9458 18.9458 k = 0.3860 0.2228-0.0000 ( 1155 PWs) bands (ev): -11.0400 -11.0400 0.3601 0.3601 1.8146 1.8146 2.7560 2.7560 4.6026 4.6026 7.1048 7.1048 7.9632 7.9632 8.5886 8.5886 9.5951 9.5951 10.1784 10.1784 13.0574 13.0574 15.1467 15.1467 15.3650 15.3650 18.8968 18.8968 k = 0.3947 0.2279-0.0000 ( 1155 PWs) bands (ev): -11.0331 -11.0331 0.3550 0.3550 1.8264 1.8264 2.7352 2.7352 4.6063 4.6063 7.1014 7.1014 7.9687 7.9687 8.5888 8.5888 9.6025 9.6025 10.1907 10.1907 13.0522 13.0522 15.1657 15.1657 15.3664 15.3664 18.8517 18.8517 k = 0.4035 0.2330-0.0000 ( 1155 PWs) bands (ev): -11.0267 -11.0267 0.3503 0.3503 1.8368 1.8368 2.7165 2.7165 4.6097 4.6097 7.0982 7.0982 7.9747 7.9747 8.5885 8.5885 9.6093 9.6093 10.2023 10.2023 13.0479 13.0479 15.1834 15.1834 15.3656 15.3656 18.8105 18.8105 k = 0.4123 0.2380-0.0000 ( 1155 PWs) bands (ev): -11.0207 -11.0207 0.3460 0.3460 1.8459 1.8459 2.6998 2.6998 4.6128 4.6128 7.0952 7.0952 7.9809 7.9809 8.5880 8.5880 9.6154 9.6154 10.2132 10.2132 13.0445 13.0445 15.1997 15.1997 15.3632 15.3632 18.7733 18.7733 k = 0.4211 0.2431-0.0000 ( 1155 PWs) bands (ev): -11.0153 -11.0153 0.3421 0.3421 1.8538 1.8538 2.6849 2.6849 4.6156 4.6156 7.0925 7.0925 7.9874 7.9874 8.5872 8.5872 9.6208 9.6208 10.2233 10.2233 13.0417 13.0417 15.2147 15.2147 15.3594 15.3594 18.7399 18.7399 k = 0.4298 0.2482-0.0000 ( 1156 PWs) bands (ev): -11.0104 -11.0104 0.3386 0.3386 1.8606 1.8606 2.6719 2.6719 4.6180 4.6180 7.0900 7.0900 7.9938 7.9938 8.5862 8.5862 9.6257 9.6257 10.2325 10.2325 13.0395 13.0395 15.2281 15.2281 15.3547 15.3547 18.7103 18.7103 k = 0.4386 0.2532-0.0000 ( 1158 PWs) bands (ev): -11.0060 -11.0060 0.3355 0.3355 1.8662 1.8662 2.6606 2.6606 4.6202 4.6202 7.0877 7.0877 8.0001 8.0001 8.5851 8.5851 9.6299 9.6299 10.2408 10.2408 13.0378 13.0378 15.2401 15.2401 15.3494 15.3494 18.6844 18.6844 k = 0.4474 0.2583-0.0000 ( 1154 PWs) bands (ev): -11.0022 -11.0022 0.3328 0.3328 1.8710 1.8710 2.6511 2.6511 4.6222 4.6222 7.0857 7.0857 8.0059 8.0059 8.5839 8.5839 9.6335 9.6335 10.2482 10.2482 13.0366 13.0366 15.2506 15.2506 15.3440 15.3440 18.6622 18.6622 k = 0.4561 0.2634-0.0000 ( 1154 PWs) bands (ev): -10.9989 -10.9989 0.3304 0.3304 1.8748 1.8748 2.6432 2.6432 4.6238 4.6238 7.0840 7.0840 8.0112 8.0112 8.5828 8.5828 9.6365 9.6365 10.2545 10.2545 13.0357 13.0357 15.2596 15.2596 15.3387 15.3387 18.6436 18.6436 k = 0.4649 0.2684-0.0000 ( 1154 PWs) bands (ev): -10.9962 -10.9962 0.3286 0.3286 1.8778 1.8778 2.6369 2.6369 4.6250 4.6250 7.0826 7.0826 8.0158 8.0158 8.5817 8.5817 9.6389 9.6389 10.2597 10.2597 13.0351 13.0351 15.2672 15.2672 15.3338 15.3338 18.6285 18.6285 k = 0.4737 0.2735-0.0000 ( 1156 PWs) bands (ev): -10.9941 -10.9941 0.3271 0.3271 1.8799 1.8799 2.6320 2.6320 4.6260 4.6260 7.0815 7.0815 8.0196 8.0196 8.5808 8.5808 9.6408 9.6408 10.2639 10.2639 13.0346 13.0346 15.2730 15.2730 15.3296 15.3296 18.6168 18.6168 k = 0.4825 0.2785-0.0000 ( 1156 PWs) bands (ev): -10.9926 -10.9926 0.3260 0.3260 1.8815 1.8815 2.6286 2.6286 4.6268 4.6268 7.0807 7.0807 8.0223 8.0223 8.5801 8.5801 9.6422 9.6422 10.2668 10.2668 13.0343 13.0343 15.2773 15.2773 15.3264 15.3264 18.6084 18.6084 k = 0.4912 0.2836-0.0000 ( 1156 PWs) bands (ev): -10.9917 -10.9917 0.3254 0.3254 1.8824 1.8824 2.6266 2.6266 4.6272 4.6272 7.0802 7.0802 8.0240 8.0240 8.5797 8.5797 9.6430 9.6430 10.2686 10.2686 13.0342 13.0342 15.2799 15.2799 15.3244 15.3244 18.6035 18.6035 k = 0.5000 0.2887-0.0000 ( 1150 PWs) bands (ev): -10.9914 -10.9914 0.3252 0.3252 1.8827 1.8827 2.6259 2.6259 4.6275 4.6275 7.0801 7.0801 8.0246 8.0246 8.5796 8.5796 9.6432 9.6432 10.2692 10.2692 13.0342 13.0342 15.2810 15.2810 15.3237 15.3237 18.6018 18.6018 k = 0.5000 0.2887-0.0000 ( 1150 PWs) bands (ev): -10.9914 -10.9914 0.3252 0.3252 1.8827 1.8827 2.6259 2.6259 4.6275 4.6275 7.0801 7.0801 8.0246 8.0246 8.5796 8.5796 9.6432 9.6432 10.2692 10.2692 13.0342 13.0342 15.2810 15.2810 15.3237 15.3237 18.6018 18.6018 k = 0.4949 0.2974-0.0000 ( 1154 PWs) bands (ev): -10.9917 -10.9909 0.3240 0.3264 1.8835 1.8839 2.6253 2.6267 4.6210 4.6295 7.0534 7.1042 8.0136 8.0263 8.5797 8.5941 9.6328 9.6555 10.2309 10.3083 13.0248 13.0388 15.2725 15.2906 15.3244 15.3253 18.5886 18.6133 k = 0.4899 0.3062-0.0000 ( 1154 PWs) bands (ev): -10.9917 -10.9903 0.3229 0.3277 1.8863 1.8870 2.6249 2.6278 4.6103 4.6273 7.0245 7.1252 7.9945 8.0192 8.5944 8.6216 9.6243 9.6695 10.1935 10.3481 13.0108 13.0386 15.2657 15.3017 15.3275 15.3294 18.5737 18.6230 k = 0.4848 0.3149-0.0000 ( 1158 PWs) bands (ev): -10.9916 -10.9895 0.3219 0.3290 1.8910 1.8921 2.6247 2.6290 4.5955 4.6208 6.9938 7.1425 7.9695 8.0057 8.6220 8.6594 9.6180 9.6852 10.1569 10.3885 12.9924 13.0336 15.2605 15.3135 15.3327 15.3361 18.5570 18.6309 k = 0.4798 0.3237-0.0000 ( 1162 PWs) bands (ev): -10.9914 -10.9885 0.3210 0.3305 1.8976 1.8991 2.6248 2.6304 4.5767 4.6101 6.9616 7.1554 7.9409 7.9888 8.6598 8.7045 9.6142 9.7024 10.1213 10.4297 12.9696 13.0237 15.2569 15.3260 15.3402 15.3454 18.5385 18.6369 k = 0.4747 0.3324-0.0000 ( 1162 PWs) bands (ev): -10.9909 -10.9874 0.3202 0.3319 1.9060 1.9080 2.6251 2.6321 4.5541 4.5952 6.9282 7.1633 7.9107 7.9715 8.7053 8.7544 9.6131 9.7213 10.0868 10.4713 12.9428 13.0091 15.2552 15.3391 15.3497 15.3574 18.5184 18.6410 k = 0.4697 0.3412-0.0000 ( 1162 PWs) bands (ev): -10.9902 -10.9860 0.3194 0.3335 1.9164 1.9189 2.6257 2.6339 4.5278 4.5763 6.8937 7.1657 7.8802 7.9564 8.7562 8.8071 9.6153 9.7416 10.0537 10.5136 12.9120 12.9899 15.2551 15.3529 15.3612 15.3717 18.4965 18.6431 k = 0.4646 0.3499-0.0000 ( 1162 PWs) bands (ev): -10.9894 -10.9846 0.3187 0.3350 1.9285 1.9315 2.6265 2.6359 4.4980 4.5536 6.8584 7.1623 7.8503 7.9451 8.8107 8.8604 9.6214 9.7633 10.0221 10.5562 12.8776 12.9661 15.2565 15.3677 15.3747 15.3876 18.4728 18.6431 k = 0.4596 0.3587-0.0000 ( 1162 PWs) bands (ev): -10.9885 -10.9829 0.3181 0.3366 1.9423 1.9460 2.6277 2.6382 4.4651 4.5272 6.8226 7.1530 7.8219 7.9388 8.8673 8.9126 9.6322 9.7862 9.9924 10.5993 12.8397 12.9378 15.2595 15.3836 15.3899 15.4047 18.4473 18.6408 k = 0.4545 0.3674-0.0000 ( 1158 PWs) bands (ev): -10.9873 -10.9811 0.3175 0.3382 1.9577 1.9622 2.6291 2.6406 4.4292 4.4975 6.7863 7.1381 7.7954 7.9380 8.9246 8.9622 9.6486 9.8102 9.9653 10.6426 12.7986 12.9054 15.2638 15.4008 15.4068 15.4226 18.4200 18.6363 k = 0.4495 0.3762-0.0000 ( 1164 PWs) bands (ev): -10.9861 -10.9793 0.3170 0.3399 1.9747 1.9801 2.6309 2.6432 4.3905 4.4645 6.7497 7.1182 7.7710 7.9426 8.9813 9.0074 9.6716 9.8348 9.9418 10.6861 12.7545 12.8690 15.2692 15.4192 15.4253 15.4409 18.3909 18.6293 k = 0.4444 0.3849-0.0000 ( 1164 PWs) bands (ev): -10.9847 -10.9772 0.3165 0.3415 1.9930 1.9995 2.6330 2.6461 4.3494 4.4287 6.7131 7.0941 7.7489 7.9523 9.0359 9.0471 9.7020 9.8583 9.9241 10.7297 12.7077 12.8289 15.2757 15.4387 15.4451 15.4597 18.3601 18.6200 k = 0.4394 0.3936-0.0000 ( 1164 PWs) bands (ev): -10.9831 -10.9751 0.3161 0.3431 2.0127 2.0204 2.6355 2.6491 4.3061 4.3903 6.6766 7.0667 7.7291 7.9664 9.0803 9.0870 9.7402 9.8748 9.9193 10.7733 12.6584 12.7851 15.2832 15.4591 15.4661 15.4788 18.3276 18.6081 k = 0.4343 0.4024-0.0000 ( 1164 PWs) bands (ev): -10.9815 -10.9729 0.3157 0.3447 2.0336 2.0427 2.6384 2.6524 4.2610 4.3497 6.6405 7.0369 7.7117 7.9845 9.1068 9.1327 9.7863 9.8775 9.9354 10.8166 12.6068 12.7381 15.2913 15.4799 15.4882 15.4982 18.2936 18.5938 k = 0.4293 0.4111-0.0000 ( 1164 PWs) bands (ev): -10.9798 -10.9706 0.3154 0.3463 2.0555 2.0662 2.6419 2.6560 4.2142 4.3071 6.6049 7.0056 7.6966 8.0059 9.1268 9.1711 9.8396 9.8781 9.9620 10.8596 12.5532 12.6881 15.3001 15.5008 15.5112 15.5181 18.2582 18.5770 k = 0.4242 0.4199-0.0000 ( 1160 PWs) bands (ev): -10.9780 -10.9683 0.3151 0.3478 2.0782 2.0907 2.6458 2.6599 4.1662 4.2630 6.5701 6.9734 7.6837 8.0301 9.1410 9.2005 9.8848 9.8994 9.9921 10.9021 12.4978 12.6352 15.3094 15.5213 15.5348 15.5389 18.2214 18.5578 k = 0.4192 0.4286-0.0000 ( 1162 PWs) bands (ev): -10.9761 -10.9659 0.3148 0.3493 2.1015 2.1162 2.6503 2.6641 4.1171 4.2174 6.5362 6.9409 7.6729 8.0566 9.1501 9.2196 9.9000 9.9644 10.0242 10.9440 12.4409 12.5798 15.3189 15.5404 15.5589 15.5608 18.1836 18.5363 k = 0.4141 0.4374-0.0000 ( 1158 PWs) bands (ev): -10.9742 -10.9635 0.3145 0.3507 2.1252 2.1424 2.6554 2.6686 4.0673 4.1709 6.5033 6.9088 7.6641 8.0852 9.1551 9.2281 9.9237 10.0337 10.0579 10.9849 12.3827 12.5222 15.3286 15.5585 15.5833 15.5836 18.1450 18.5127 k = 0.4091 0.4461-0.0000 ( 1162 PWs) bands (ev): -10.9722 -10.9610 0.3143 0.3520 2.1491 2.1691 2.6613 2.6736 4.0170 4.1238 6.4718 6.8773 7.6571 8.1156 9.1568 9.2267 9.9547 10.0935 10.1063 11.0248 12.3234 12.4624 15.3383 15.5752 15.6068 15.6078 18.1058 18.4872 k = 0.4040 0.4549-0.0000 ( 1162 PWs) bands (ev): -10.9703 -10.9586 0.3140 0.3533 2.1730 2.1961 2.6679 2.6790 3.9666 4.0764 6.4417 6.8468 7.6518 8.1475 9.1560 9.2165 9.9908 10.1315 10.1813 11.0635 12.2635 12.4010 15.3480 15.5911 15.6302 15.6322 18.0664 18.4601 k = 0.3990 0.4636-0.0000 ( 1162 PWs) bands (ev): -10.9683 -10.9563 0.3137 0.3545 2.1964 2.2230 2.6754 2.6851 3.9164 4.0292 6.4131 6.8177 7.6481 8.1809 9.1531 9.1992 10.0291 10.1725 10.2580 11.1006 12.2030 12.3379 15.3573 15.6059 15.6534 15.6562 18.0270 18.4319 k = 0.3939 0.4724-0.0000 ( 1162 PWs) bands (ev): -10.9663 -10.9539 0.3135 0.3555 2.2192 2.2497 2.6838 2.6917 3.8668 3.9824 6.3862 6.7901 7.6456 8.2155 9.1486 9.1762 10.0673 10.2171 10.3358 11.1361 12.1423 12.2737 15.3664 15.6197 15.6761 15.6796 17.9881 18.4027 k = 0.3889 0.4811-0.0000 ( 1162 PWs) bands (ev): -10.9644 -10.9517 0.3132 0.3565 2.2410 2.2757 2.6931 2.6991 3.8181 3.9365 6.3612 6.7643 7.6444 8.2513 9.1431 9.1487 10.1033 10.2654 10.4141 11.1696 12.0819 12.2085 15.3750 15.6326 15.6981 15.7023 17.9500 18.3731 k = 0.3838 0.4899-0.0000 ( 1162 PWs) bands (ev): -10.9626 -10.9495 0.3130 0.3574 2.2615 2.3007 2.7033 2.7073 3.7707 3.8920 6.3380 6.7404 7.6441 8.2881 9.1176 9.1368 10.1363 10.3168 10.4925 11.2010 12.0221 12.1427 15.3832 15.6445 15.7190 15.7239 17.9131 18.3435 k = 0.3788 0.4986-0.0000 ( 1162 PWs) bands (ev): -10.9608 -10.9474 0.3127 0.3581 2.2806 2.3243 2.7143 2.7161 3.7251 3.8492 6.3169 6.7184 7.6447 8.3260 9.0837 9.1301 10.1659 10.3702 10.5703 11.2299 11.9633 12.0767 15.3908 15.6552 15.7387 15.7443 17.8779 18.3144 k = 0.3737 0.5074-0.0000 ( 1164 PWs) bands (ev): -10.9592 -10.9455 0.3125 0.3588 2.2979 2.3462 2.7257 2.7259 3.6817 3.8086 6.2978 6.6987 7.6459 8.3648 9.0477 9.1233 10.1922 10.4242 10.6472 11.2562 11.9063 12.0109 15.3978 15.6650 15.7569 15.7631 17.8448 18.2864 k = 0.3687 0.5161-0.0000 ( 1168 PWs) bands (ev): -10.9577 -10.9438 0.3122 0.3593 2.3132 2.3660 2.7358 2.7379 3.6411 3.7709 6.2809 6.6811 7.6476 8.4045 9.0099 9.1165 10.2153 10.4774 10.7226 11.2793 11.8516 11.9461 15.4042 15.6738 15.7734 15.7802 17.8142 18.2599 k = 0.3636 0.5249-0.0000 ( 1168 PWs) bands (ev): -10.9563 -10.9422 0.3120 0.3598 2.3266 2.3835 2.7462 2.7497 3.6039 3.7366 6.2662 6.6658 7.6496 8.4449 8.9707 9.1101 10.2354 10.5282 10.7956 11.2991 11.8003 11.8830 15.4099 15.6814 15.7881 15.7955 17.7867 18.2357 k = 0.3586 0.5336-0.0000 ( 1172 PWs) bands (ev): -10.9550 -10.9408 0.3117 0.3602 2.3379 2.3986 2.7564 2.7610 3.5707 3.7062 6.2537 6.6527 7.6517 8.4858 8.9306 9.1042 10.2526 10.5753 10.8654 11.3151 11.7533 11.8227 15.4147 15.6879 15.8006 15.8086 17.7625 18.2140 k = 0.3535 0.5424-0.0000 ( 1178 PWs) bands (ev): -10.9540 -10.9396 0.3115 0.3604 2.3471 2.4109 2.7659 2.7712 3.5423 3.6803 6.2435 6.6421 7.6538 8.5271 8.8898 9.0991 10.2667 10.6171 10.9305 11.3267 11.7118 11.7671 15.4187 15.6932 15.8110 15.8195 17.7421 18.1953 k = 0.3485 0.5511-0.0000 ( 1178 PWs) bands (ev): -10.9531 -10.9386 0.3113 0.3606 2.3542 2.4205 2.7741 2.7799 3.5194 3.6596 6.2356 6.6338 7.6557 8.5683 8.8490 9.0949 10.2778 10.6519 10.9889 11.3335 11.6774 11.7186 15.4220 15.6975 15.8191 15.8280 17.7258 18.1803 k = 0.3434 0.5599-0.0000 ( 1182 PWs) bands (ev): -10.9525 -10.9379 0.3111 0.3607 2.3592 2.4274 2.7803 2.7863 3.5025 3.6445 6.2299 6.6278 7.6571 8.6084 8.8092 9.0917 10.2859 10.6781 11.0370 11.3357 11.6515 11.6802 15.4242 15.7005 15.8248 15.8341 17.7139 18.1692 k = 0.3384 0.5686-0.0000 ( 1182 PWs) bands (ev): -10.9521 -10.9375 0.3111 0.3608 2.3622 2.4315 2.7843 2.7903 3.4923 3.6353 6.2265 6.6243 7.6581 8.6438 8.7739 9.0897 10.2908 10.6944 11.0698 11.3348 11.6355 11.6556 15.4257 15.7023 15.8282 15.8378 17.7067 18.1624 k = 0.3333 0.5774-0.0000 ( 1182 PWs) bands (ev): -10.9520 -10.9373 0.3110 0.3608 2.3632 2.4329 2.7855 2.7916 3.4888 3.6322 6.2254 6.6231 7.6585 8.6613 8.7564 9.0891 10.2924 10.6999 11.0816 11.3340 11.6301 11.6471 15.4262 15.7030 15.8294 15.8390 17.7042 18.1601 k = 0.3333 0.5774-0.0000 ( 1182 PWs) bands (ev): -10.9520 -10.9373 0.3110 0.3608 2.3632 2.4329 2.7855 2.7916 3.4888 3.6322 6.2254 6.6231 7.6585 8.6613 8.7564 9.0891 10.2924 10.6999 11.0816 11.3340 11.6301 11.6471 15.4262 15.7030 15.8294 15.8390 17.7042 18.1601 k = 0.3282 0.5685-0.0000 ( 1182 PWs) bands (ev): -10.9521 -10.9375 0.3111 0.3608 2.3622 2.4315 2.7843 2.7903 3.4923 3.6354 6.2265 6.6243 7.6581 8.6432 8.7745 9.0898 10.2907 10.6944 11.0697 11.3348 11.6355 11.6556 15.4257 15.7023 15.8283 15.8378 17.7068 18.1625 k = 0.3231 0.5596-0.0000 ( 1182 PWs) bands (ev): -10.9526 -10.9380 0.3112 0.3608 2.3591 2.4272 2.7808 2.7866 3.5024 3.6444 6.2300 6.6279 7.6569 8.6063 8.8111 9.0919 10.2855 10.6785 11.0372 11.3355 11.6513 11.6799 15.4241 15.7003 15.8250 15.8343 17.7144 18.1699 k = 0.3179 0.5507-0.0000 ( 1170 PWs) bands (ev): -10.9533 -10.9388 0.3114 0.3607 2.3539 2.4200 2.7758 2.7811 3.5185 3.6589 6.2356 6.6339 7.6548 8.5644 8.8526 9.0955 10.2767 10.6538 10.9907 11.3329 11.6761 11.7167 15.4217 15.6971 15.8200 15.8286 17.7272 18.1823 k = 0.3128 0.5418-0.0000 ( 1170 PWs) bands (ev): -10.9544 -10.9400 0.3118 0.3608 2.3465 2.4100 2.7697 2.7742 3.5397 3.6782 6.2434 6.6422 7.6519 8.5207 8.8954 9.1005 10.2642 10.6221 10.9354 11.3253 11.7079 11.7620 15.4180 15.6924 15.8131 15.8209 17.7450 18.1996 k = 0.3077 0.5329-0.0000 ( 1166 PWs) bands (ev): -10.9559 -10.9416 0.3123 0.3608 2.3371 2.3971 2.7636 2.7666 3.5653 3.7016 6.2533 6.6527 7.6481 8.4765 8.9383 9.1067 10.2481 10.5852 10.8749 11.3125 11.7454 11.8131 15.4132 15.6862 15.8049 15.8116 17.7676 18.2217 k = 0.3026 0.5241-0.0000 ( 1166 PWs) bands (ev): -10.9577 -10.9435 0.3130 0.3609 2.3254 2.3814 2.7579 2.7590 3.5944 3.7285 6.2652 6.6654 7.6436 8.4321 8.9808 9.1142 10.2282 10.5448 10.8113 11.2948 11.7870 11.8674 15.4072 15.6785 15.7954 15.8006 17.7950 18.2484 k = 0.2974 0.5152-0.0000 ( 1166 PWs) bands (ev): -10.9598 -10.9459 0.3138 0.3612 2.3117 2.3632 2.7519 2.7533 3.6263 3.7582 6.2790 6.6802 7.6383 8.3878 9.0223 9.1226 10.2044 10.5025 10.7459 11.2727 11.8315 11.9235 15.4001 15.6693 15.7850 15.7884 17.8270 18.2795 k = 0.2923 0.5063-0.0000 ( 1164 PWs) bands (ev): -10.9624 -10.9487 0.3149 0.3615 2.2959 2.3428 2.7459 2.7500 3.6605 3.7901 6.2947 6.6971 7.6325 8.3437 9.0627 9.1318 10.1769 10.4593 10.6797 11.2466 11.8780 11.9803 15.3918 15.6586 15.7738 15.7751 17.8634 18.3149 k = 0.2872 0.4974-0.0000 ( 1160 PWs) bands (ev): -10.9653 -10.9519 0.3162 0.3620 2.2781 2.3204 2.7413 2.7482 3.6962 3.8237 6.3121 6.7160 7.6262 8.3001 9.1014 9.1416 10.1457 10.4164 10.6132 11.2167 11.9259 12.0372 15.3823 15.6464 15.7610 15.7620 17.9041 18.3542 k = 0.2821 0.4885-0.0000 ( 1158 PWs) bands (ev): -10.9687 -10.9555 0.3176 0.3626 2.2586 2.2963 2.7382 2.7481 3.7331 3.8585 6.3311 6.7368 7.6197 8.2570 9.1381 9.1517 10.1111 10.3743 10.5470 11.1834 11.9744 12.0937 15.3716 15.6327 15.7462 15.7498 17.9488 18.3973 k = 0.2769 0.4796-0.0000 ( 1158 PWs) bands (ev): -10.9724 -10.9595 0.3194 0.3634 2.2375 2.2708 2.7369 2.7496 3.7706 3.8941 6.3516 6.7594 7.6131 8.2145 9.1618 9.1724 10.0734 10.3336 10.4814 11.1470 12.0232 12.1496 15.3597 15.6175 15.7307 15.7370 17.9973 18.4437 k = 0.2718 0.4708-0.0000 ( 1158 PWs) bands (ev): -10.9766 -10.9639 0.3214 0.3644 2.2149 2.2443 2.7374 2.7528 3.8085 3.9302 6.3735 6.7837 7.6066 8.1727 9.1715 9.2039 10.0333 10.2945 10.4169 11.1077 12.0720 12.2045 15.3466 15.6008 15.7148 15.7240 18.0494 18.4932 k = 0.2667 0.4619-0.0000 ( 1154 PWs) bands (ev): -10.9812 -10.9688 0.3236 0.3656 2.1912 2.2168 2.7399 2.7577 3.8466 3.9663 6.3967 6.8096 7.6004 8.1318 9.1806 9.2321 9.9914 10.2574 10.3536 11.0659 12.1206 12.2584 15.3322 15.5828 15.6986 15.7105 18.1051 18.5456 k = 0.2615 0.4530-0.0000 ( 1150 PWs) bands (ev): -10.9861 -10.9741 0.3262 0.3670 2.1664 2.1888 2.7442 2.7643 3.8843 4.0023 6.4209 6.8371 7.5947 8.0917 9.1886 9.2565 9.9485 10.2221 10.2919 11.0219 12.1688 12.3113 15.3167 15.5635 15.6819 15.6966 18.1641 18.6006 k = 0.2564 0.4441-0.0000 ( 1150 PWs) bands (ev): -10.9915 -10.9799 0.3290 0.3687 2.1407 2.1602 2.7504 2.7724 3.9217 4.0378 6.4461 6.8659 7.5898 8.0526 9.1952 9.2765 9.9052 10.1890 10.2322 10.9760 12.2165 12.3630 15.2999 15.5428 15.6648 15.6821 18.2263 18.6579 k = 0.2513 0.4352-0.0000 ( 1154 PWs) bands (ev): -10.9973 -10.9860 0.3322 0.3707 2.1143 2.1312 2.7585 2.7822 3.9583 4.0727 6.4721 6.8960 7.5859 8.0146 9.1999 9.2915 9.8623 10.1580 10.1745 10.9284 12.2635 12.4135 15.2817 15.5207 15.6472 15.6670 18.2915 18.7173 k = 0.2462 0.4264-0.0000 ( 1152 PWs) bands (ev): -11.0035 -10.9926 0.3357 0.3729 2.0874 2.1020 2.7684 2.7936 3.9942 4.1068 6.4987 6.9273 7.5831 7.9777 9.2024 9.3011 9.8204 10.1195 10.1295 10.8794 12.3099 12.4630 15.2624 15.4974 15.6291 15.6512 18.3595 18.7785 k = 0.2410 0.4175-0.0000 ( 1154 PWs) bands (ev): -11.0101 -10.9996 0.3395 0.3755 2.0598 2.0725 2.7802 2.8067 4.0290 4.1398 6.5258 6.9596 7.5817 7.9419 9.2021 9.3048 9.7799 10.0672 10.1037 10.8294 12.3557 12.5114 15.2418 15.4729 15.6102 15.6344 18.4302 18.8413 k = 0.2359 0.4086-0.0000 ( 1158 PWs) bands (ev): -11.0170 -11.0069 0.3437 0.3783 2.0319 2.0428 2.7938 2.8214 4.0628 4.1716 6.5532 6.9928 7.5818 7.9075 9.1988 9.3023 9.7413 10.0179 10.0807 10.7786 12.4008 12.5586 15.2200 15.4471 15.5905 15.6166 18.5035 18.9056 k = 0.2308 0.3997-0.0000 ( 1158 PWs) bands (ev): -11.0244 -11.0147 0.3482 0.3815 2.0035 2.0130 2.8093 2.8378 4.0953 4.2022 6.5807 7.0267 7.5838 7.8744 9.1921 9.2935 9.7046 9.9721 10.0608 10.7273 12.4454 12.6049 15.1971 15.4202 15.5698 15.5976 18.5791 18.9711 k = 0.2256 0.3908-0.0000 ( 1158 PWs) bands (ev): -11.0321 -11.0228 0.3530 0.3850 1.9748 1.9831 2.8267 2.8559 4.1264 4.2314 6.6083 7.0613 7.5876 7.8427 9.1817 9.2789 9.6699 9.9298 10.0439 10.6759 12.4894 12.6503 15.1730 15.3920 15.5480 15.5772 18.6571 19.0377 k = 0.2205 0.3819-0.0000 ( 1162 PWs) bands (ev): -11.0401 -11.0312 0.3582 0.3889 1.9458 1.9530 2.8459 2.8757 4.1560 4.2590 6.6358 7.0962 7.5934 7.8124 9.1673 9.2590 9.6368 9.8911 10.0298 10.6245 12.5328 12.6948 15.1478 15.3627 15.5248 15.5552 18.7371 19.1053 k = 0.2154 0.3731-0.0000 ( 1163 PWs) bands (ev): -11.0485 -11.0400 0.3638 0.3931 1.9165 1.9227 2.8668 2.8972 4.1842 4.2850 6.6630 7.1315 7.6014 7.7837 9.1491 9.2346 9.6052 9.8561 10.0184 10.5734 12.5758 12.7385 15.1215 15.3323 15.5000 15.5314 18.8191 19.1737 k = 0.2103 0.3642-0.0000 ( 1163 PWs) bands (ev): -11.0572 -11.0491 0.3696 0.3976 1.8869 1.8924 2.8897 2.9204 4.2107 4.3094 6.6898 7.1668 7.6116 7.7567 9.1270 9.2067 9.5746 9.8244 10.0091 10.5229 12.6183 12.7815 15.0941 15.3008 15.4735 15.5057 18.9029 19.2428 k = 0.2051 0.3553-0.0000 ( 1163 PWs) bands (ev): -11.0662 -11.0585 0.3759 0.4024 1.8571 1.8619 2.9144 2.9454 4.2356 4.3320 6.7162 7.2019 7.6240 7.7314 9.1013 9.1763 9.5450 9.7960 10.0015 10.4732 12.6606 12.8240 15.0657 15.2681 15.4451 15.4780 18.9884 19.3126 k = 0.2000 0.3464-0.0000 ( 1167 PWs) bands (ev): -11.0754 -11.0682 0.3824 0.4076 1.8271 1.8313 2.9408 2.9721 4.2587 4.3528 6.7421 7.2365 7.6387 7.7081 9.0725 9.1441 9.5162 9.7703 9.9951 10.4245 12.7025 12.8657 15.0363 15.2344 15.4145 15.4480 19.0753 19.3830 k = 0.1949 0.3375-0.0000 ( 1167 PWs) bands (ev): -11.0850 -11.0781 0.3893 0.4131 1.7968 1.8005 2.9691 3.0006 4.2801 4.3719 6.7675 7.2703 7.6556 7.6870 9.0408 9.1108 9.4883 9.7468 9.9895 10.3770 12.7442 12.9071 15.0062 15.1998 15.3817 15.4157 19.1636 19.4541 k = 0.1897 0.3286-0.0000 ( 1169 PWs) bands (ev): -11.0947 -11.0883 0.3964 0.4189 1.7663 1.7695 2.9991 3.0307 4.2998 4.3891 6.7923 7.3028 7.6683 7.6747 9.0069 9.0771 9.4612 9.7251 9.9842 10.3309 12.7857 12.9480 14.9753 15.1642 15.3466 15.3809 19.2532 19.5258 k = 0.1846 0.3198-0.0000 ( 1169 PWs) bands (ev): -11.1047 -11.0986 0.4039 0.4251 1.7356 1.7385 3.0309 3.0626 4.3178 4.4046 6.8165 7.3334 7.6527 7.6957 8.9713 9.0434 9.4350 9.7048 9.9789 10.2863 12.8273 12.9886 14.9436 15.1279 15.3090 15.3436 19.3439 19.5981 k = 0.1795 0.3109-0.0000 ( 1169 PWs) bands (ev): -11.1148 -11.1091 0.4116 0.4315 1.7047 1.7073 3.0643 3.0961 4.3340 4.4182 6.8401 7.3612 7.6407 7.7187 8.9343 9.0100 9.4099 9.6852 9.9734 10.2435 12.8688 13.0290 14.9113 15.0906 15.2690 15.3038 19.4356 19.6712 k = 0.1744 0.3020-0.0000 ( 1157 PWs) bands (ev): -11.1250 -11.1198 0.4196 0.4382 1.6738 1.6761 3.0994 3.1312 4.3486 4.4302 6.8633 7.3852 7.6334 7.7433 8.8965 8.9772 9.3861 9.6661 9.9674 10.2025 12.9105 13.0693 14.8788 15.0530 15.2264 15.2616 19.5282 19.7451 k = 0.1692 0.2931-0.0000 ( 1157 PWs) bands (ev): -11.1355 -11.1306 0.4278 0.4452 1.6427 1.6447 3.1361 3.1678 4.3615 4.4404 6.8859 7.4040 7.6319 7.7695 8.8582 8.9453 9.3634 9.6471 9.9608 10.1633 12.9522 13.1094 14.8454 15.0143 15.1813 15.2169 19.6215 19.8198 k = 0.1641 0.2842-0.0000 ( 1159 PWs) bands (ev): -11.1460 -11.1414 0.4362 0.4524 1.6115 1.6133 3.1743 3.2059 4.3728 4.4490 6.9081 7.4167 7.6370 7.7970 8.8197 8.9143 9.3420 9.6279 9.9535 10.1262 12.9941 13.1494 14.8116 14.9749 15.1336 15.1697 19.7156 19.8955 k = 0.1590 0.2754-0.0000 ( 1163 PWs) bands (ev): -11.1566 -11.1524 0.4448 0.4598 1.5802 1.5818 3.2139 3.2454 4.3824 4.4560 6.9299 7.4232 7.6487 7.8255 8.7814 8.8844 9.3221 9.6084 9.9455 10.0912 13.0360 13.1893 14.7775 14.9348 15.0835 15.1203 19.8103 19.9721 k = 0.1538 0.2665-0.0000 ( 1163 PWs) bands (ev): -11.1672 -11.1633 0.4536 0.4675 1.5489 1.5504 3.2549 3.2863 4.3907 4.4614 6.9512 7.4243 7.6660 7.8549 8.7435 8.8557 9.3035 9.5884 9.9368 10.0582 13.0784 13.2293 14.7430 14.8940 15.0312 15.0690 19.9056 20.0498 k = 0.1487 0.2576-0.0000 ( 1163 PWs) bands (ev): -11.1778 -11.1743 0.4626 0.4753 1.5178 1.5191 3.2972 3.3283 4.3974 4.4655 6.9722 7.4215 7.6873 7.8849 8.7062 8.8282 9.2863 9.5678 9.9274 10.0274 13.1209 13.2692 14.7086 14.8527 14.9767 15.0159 20.0013 20.1285 k = 0.1436 0.2487-0.0000 ( 1163 PWs) bands (ev): -11.1885 -11.1853 0.4716 0.4832 1.4868 1.4879 3.3406 3.3715 4.4028 4.4681 6.9929 7.4162 7.7112 7.9153 8.6697 8.8020 9.2706 9.5467 9.9174 9.9985 13.1637 13.3092 14.6742 14.8105 14.9202 14.9615 20.0974 20.2084 k = 0.1385 0.2398-0.0000 ( 1167 PWs) bands (ev): -11.1991 -11.1962 0.4807 0.4913 1.4559 1.4570 3.3850 3.4156 4.4070 4.4696 7.0132 7.4092 7.7365 7.9458 8.6342 8.7770 9.2562 9.5249 9.9068 9.9717 13.2066 13.3490 14.6397 14.7674 14.8619 14.9061 20.1938 20.2893 k = 0.1333 0.2309-0.0000 ( 1163 PWs) bands (ev): -11.2096 -11.2070 0.4899 0.4995 1.4253 1.4263 3.4304 3.4607 4.4101 4.4699 7.0331 7.4014 7.7626 7.9762 8.6000 8.7533 9.2431 9.5028 9.8958 9.9468 13.2499 13.3890 14.6057 14.7231 14.8020 14.8506 20.2905 20.3713 k = 0.1282 0.2221-0.0000 ( 1163 PWs) bands (ev): -11.2200 -11.2176 0.4990 0.5077 1.3950 1.3959 3.4765 3.5065 4.4120 4.4691 7.0526 7.3930 7.7888 8.0062 8.5671 8.7308 9.2313 9.4802 9.8844 9.9238 13.2933 13.4289 14.5718 14.6771 14.7408 14.7957 20.3871 20.4543 k = 0.1231 0.2132-0.0000 ( 1163 PWs) bands (ev): -11.2303 -11.2282 0.5082 0.5160 1.3651 1.3659 3.5233 3.5530 4.4130 4.4674 7.0716 7.3845 7.8148 8.0356 8.5359 8.7094 9.2207 9.4573 9.8727 9.9025 13.3369 13.4688 14.5384 14.6287 14.6786 14.7422 20.4837 20.5380 k = 0.1179 0.2043-0.0000 ( 1163 PWs) bands (ev): -11.2404 -11.2385 0.5174 0.5243 1.3357 1.3363 3.5706 3.5998 4.4131 4.4649 7.0901 7.3759 7.8405 8.0640 8.5064 8.6891 9.2113 9.4343 9.8610 9.8829 13.3806 13.5084 14.5055 14.5776 14.6156 14.6913 20.5800 20.6225 k = 0.1128 0.1954-0.0000 ( 1163 PWs) bands (ev): -11.2504 -11.2487 0.5264 0.5326 1.3068 1.3074 3.6182 3.6468 4.4125 4.4617 7.1081 7.3674 7.8656 8.0910 8.4790 8.6699 9.2028 9.4113 9.8491 9.8648 13.4243 13.5479 14.4732 14.5235 14.5521 14.6433 20.6757 20.7073 k = 0.1077 0.1865-0.0000 ( 1161 PWs) bands (ev): -11.2601 -11.2586 0.5353 0.5408 1.2786 1.2790 3.6659 3.6940 4.4113 4.4578 7.1253 7.3590 7.8900 8.1163 8.4540 8.6515 9.1953 9.3883 9.8375 9.8482 13.4678 13.5868 14.4418 14.4668 14.4885 14.5985 20.7707 20.7924 k = 0.1026 0.1776-0.0000 ( 1161 PWs) bands (ev): -11.2695 -11.2682 0.5441 0.5489 1.2509 1.2514 3.7136 3.7410 4.4096 4.4535 7.1419 7.3508 7.9138 8.1393 8.4319 8.6340 9.1887 9.3657 9.8260 9.8330 13.5111 13.6254 14.4082 14.4110 14.4253 14.5564 20.8645 20.8774 k = 0.0974 0.1688-0.0000 ( 1161 PWs) bands (ev): -11.2787 -11.2776 0.5528 0.5569 1.2241 1.2244 3.7610 3.7877 4.4075 4.4488 7.1576 7.3428 7.9367 8.1594 8.4132 8.6172 9.1829 9.3435 9.8149 9.8191 13.5540 13.6633 14.3486 14.3617 14.3819 14.5167 20.9568 20.9618 k = 0.0923 0.1599-0.0000 ( 1161 PWs) bands (ev): -11.2876 -11.2867 0.5612 0.5647 1.1981 1.1984 3.8079 3.8338 4.4051 4.4439 7.1724 7.3350 7.9589 8.1759 8.3986 8.6011 9.1777 9.3219 9.8042 9.8065 13.5965 13.7005 14.2886 14.2996 14.3533 14.4791 21.0454 21.0472 k = 0.0872 0.1510-0.0000 ( 1161 PWs) bands (ev): -11.2962 -11.2954 0.5694 0.5724 1.1730 1.1732 3.8541 3.8792 4.4025 4.4387 7.1862 7.3274 7.9802 8.1879 8.3887 8.5856 9.1731 9.3010 9.7941 9.7950 13.6382 13.7366 14.2289 14.2386 14.3260 14.4433 21.1277 21.1352 k = 0.0821 0.1421-0.0000 ( 1161 PWs) bands (ev): -11.3044 -11.3037 0.5773 0.5798 1.1489 1.1491 3.8993 3.9234 4.4000 4.4336 7.1989 7.3202 8.0007 8.1952 8.3839 8.5706 9.1691 9.2809 9.7845 9.7845 13.6791 13.7714 14.1702 14.1792 14.3001 14.4094 21.2082 21.2203 k = 0.0769 0.1332-0.0000 ( 1161 PWs) bands (ev): -11.3123 -11.3117 0.5849 0.5870 1.1258 1.1260 3.9433 3.9662 4.3975 4.4286 7.2105 7.3132 8.0204 8.1978 8.3839 8.5561 9.1655 9.2619 9.7752 9.7757 13.7189 13.8045 14.1128 14.1219 14.2757 14.3771 21.2864 21.3022 k = 0.0718 0.1244-0.0000 ( 1161 PWs) bands (ev): -11.3197 -11.3192 0.5921 0.5938 1.1039 1.1040 3.9858 4.0074 4.3954 4.4239 7.2208 7.3065 8.0391 8.1968 8.3876 8.5420 9.1623 9.2440 9.7668 9.7675 13.7575 13.8355 14.0571 14.0672 14.2530 14.3466 21.3618 21.3801 k = 0.0667 0.1155-0.0000 ( 1157 PWs) bands (ev): -11.3267 -11.3264 0.5990 0.6004 1.0831 1.0832 4.0264 4.0466 4.3937 4.4195 7.2299 7.3002 8.0569 8.1934 8.3937 8.5285 9.1594 9.2274 9.7593 9.7601 13.7944 13.8629 14.0037 14.0165 14.2322 14.3180 21.4339 21.4538 k = 0.0615 0.1066-0.0000 ( 1153 PWs) bands (ev): -11.3333 -11.3330 0.6056 0.6066 1.0637 1.0638 4.0649 4.0834 4.3926 4.4157 7.2377 7.2943 8.0738 8.1889 8.4010 8.5154 9.1567 9.2122 9.7527 9.7535 13.8295 13.8827 13.9531 13.9743 14.2134 14.2914 21.5023 21.5227 k = 0.0564 0.0977-0.0000 ( 1149 PWs) bands (ev): -11.3395 -11.3393 0.6117 0.6125 1.0456 1.0456 4.1009 4.1176 4.3922 4.4125 7.2443 7.2887 8.0895 8.1840 8.4085 8.5028 9.1543 9.1984 9.7469 9.7476 13.8607 13.8792 13.9071 13.9555 14.1969 14.2667 21.5667 21.5866 k = 0.0513 0.0888-0.0000 ( 1153 PWs) bands (ev): -11.3452 -11.3450 0.6173 0.6179 1.0288 1.0288 4.1339 4.1485 4.3928 4.4103 7.2496 7.2836 8.1042 8.1794 8.4154 8.4909 9.1521 9.1862 9.7419 9.7424 13.8486 13.8545 13.8989 13.9640 14.1828 14.2442 21.6265 21.6453 k = 0.0462 0.0799-0.0000 ( 1157 PWs) bands (ev): -11.3503 -11.3502 0.6225 0.6230 1.0134 1.0134 4.1637 4.1760 4.3946 4.4091 7.2538 7.2790 8.1177 8.1756 8.4214 8.4798 9.1499 9.1755 9.7375 9.7379 13.8114 13.8150 13.9251 13.9795 14.1716 14.2241 21.6817 21.6986 k = 0.0410 0.0711-0.0000 ( 1157 PWs) bands (ev): -11.3550 -11.3549 0.6272 0.6275 0.9995 0.9995 4.1898 4.1998 4.3978 4.4092 7.2570 7.2749 8.1298 8.1726 8.4262 8.4695 9.1480 9.1663 9.7338 9.7341 13.7753 13.7774 13.9501 13.9940 14.1635 14.2065 21.7320 21.7466 k = 0.0359 0.0622-0.0000 ( 1157 PWs) bands (ev): -11.3592 -11.3591 0.6314 0.6316 0.9871 0.9871 4.2121 4.2195 4.4022 4.4107 7.2592 7.2713 8.1406 8.1706 8.4298 8.4603 9.1461 9.1586 9.7307 9.7309 13.7421 13.7433 13.9720 14.0057 14.1585 14.1918 21.7774 21.7895 k = 0.0308 0.0533-0.0000 ( 1155 PWs) bands (ev): -11.3628 -11.3628 0.6351 0.6352 0.9763 0.9763 4.2303 4.2354 4.4077 4.4135 7.2606 7.2683 8.1498 8.1695 8.4322 8.4523 9.1443 9.1523 9.7281 9.7282 13.7126 13.7133 13.9902 14.0142 14.1563 14.1801 21.8180 21.8273 k = 0.0256 0.0444-0.0000 ( 1153 PWs) bands (ev): -11.3659 -11.3659 0.6382 0.6383 0.9671 0.9671 4.2445 4.2476 4.4137 4.4173 7.2613 7.2658 8.1574 8.1693 8.4336 8.4457 9.1427 9.1474 9.7261 9.7261 13.6871 13.6875 14.0046 14.0198 14.1566 14.1717 21.8539 21.8605 k = 0.0205 0.0355-0.0000 ( 1151 PWs) bands (ev): -11.3685 -11.3684 0.6408 0.6409 0.9595 0.9595 4.2550 4.2567 4.4199 4.4218 7.2616 7.2639 8.1634 8.1697 8.4340 8.4404 9.1413 9.1437 9.7244 9.7245 13.6660 13.6661 14.0150 14.0232 14.1582 14.1664 21.8849 21.8892 k = 0.0154 0.0266-0.0000 ( 1151 PWs) bands (ev): -11.3704 -11.3704 0.6428 0.6429 0.9536 0.9536 4.2624 4.2631 4.4254 4.4262 7.2615 7.2625 8.1677 8.1704 8.4338 8.4365 9.1400 9.1411 9.7232 9.7232 13.6493 13.6494 14.0215 14.0251 14.1602 14.1638 21.9111 21.9134 k = 0.0103 0.0178-0.0000 ( 1151 PWs) bands (ev): -11.3719 -11.3719 0.6443 0.6443 0.9494 0.9494 4.2672 4.2674 4.4298 4.4300 7.2613 7.2616 8.1706 8.1714 8.4332 8.4340 9.1390 9.1393 9.7224 9.7224 13.6374 13.6374 14.0251 14.0262 14.1620 14.1631 21.9318 21.9326 k = 0.0051 0.0089-0.0000 ( 1153 PWs) bands (ev): -11.3727 -11.3727 0.6452 0.6452 0.9468 0.9468 4.2697 4.2698 4.4324 4.4325 7.2611 7.2611 8.1721 8.1722 8.4326 8.4327 9.1383 9.1384 9.7218 9.7218 13.6301 13.6301 14.0267 14.0269 14.1631 14.1632 21.9456 21.9457 k = 0.0000 0.0000 0.0000 ( 1155 PWs) bands (ev): -11.3730 -11.3730 0.6455 0.6455 0.9460 0.9460 4.2705 4.2705 4.4333 4.4333 7.2609 7.2609 8.1725 8.1725 8.4323 8.4323 9.1381 9.1381 9.7217 9.7217 13.6277 13.6277 14.0271 14.0271 14.1634 14.1634 21.9505 21.9505 k = 0.0000 0.0000 0.0000 ( 1155 PWs) bands (ev): -11.3730 -11.3730 0.6455 0.6455 0.9460 0.9460 4.2705 4.2705 4.4333 4.4333 7.2609 7.2609 8.1725 8.1725 8.4323 8.4323 9.1381 9.1381 9.7217 9.7217 13.6277 13.6277 14.0271 14.0271 14.1634 14.1634 21.9505 21.9505 k = 0.0000 0.0000 0.0102 ( 1155 PWs) bands (ev): -11.3728 -11.3728 0.6024 0.6024 0.9903 0.9903 4.2667 4.2755 4.4337 4.4337 7.2612 7.2612 8.1109 8.2335 8.4313 8.4313 9.0708 9.2043 9.7218 9.7218 13.6276 13.6276 14.0276 14.0276 14.1531 14.1735 21.8340 21.8340 k = 0.0000 0.0000 0.0203 ( 1155 PWs) bands (ev): -11.3719 -11.3719 0.5108 0.5108 1.0858 1.0858 4.2642 4.2816 4.4349 4.4349 7.2620 7.2620 8.0490 8.2937 8.4283 8.4283 9.0028 9.2694 9.7222 9.7222 13.6272 13.6272 14.0288 14.0288 14.1427 14.1834 21.6629 21.6629 k = 0.0000 0.0000 0.0305 ( 1155 PWs) bands (ev): -11.3706 -11.3706 0.4046 0.4046 1.1984 1.1984 4.2628 4.2889 4.4368 4.4368 7.2634 7.2634 7.9867 8.3529 8.4234 8.4234 8.9345 9.3331 9.7227 9.7227 13.6266 13.6266 14.0310 14.0310 14.1322 14.1930 21.4830 21.4830 k = 0.0000 0.0000 0.0407 ( 1149 PWs) bands (ev): -11.3687 -11.3687 0.2942 0.2942 1.3179 1.3179 4.2626 4.2973 4.4395 4.4395 7.2653 7.2653 7.9243 8.4104 8.4166 8.4166 8.8663 9.3952 9.7235 9.7235 13.6258 13.6258 14.0340 14.0340 14.1218 14.2022 21.2986 21.2986 k = 0.0000 0.0000 0.0509 ( 1149 PWs) bands (ev): -11.3664 -11.3664 0.1827 0.1827 1.4409 1.4409 4.2635 4.3069 4.4430 4.4430 7.2677 7.2677 7.8618 8.4080 8.4080 8.4652 8.7995 9.4556 9.7243 9.7243 13.6248 13.6248 14.0380 14.0380 14.1116 14.2111 21.1110 21.1110 k = 0.0000 0.0000 0.0610 ( 1149 PWs) bands (ev): -11.3635 -11.3635 0.0717 0.0717 1.5660 1.5660 4.2657 4.3176 4.4471 4.4471 7.2705 7.2705 7.7994 8.3976 8.3976 8.5136 8.7378 9.5141 9.7251 9.7251 13.6237 13.6237 14.0429 14.0429 14.1016 14.2197 20.9213 20.9213 k = 0.0000 0.0000 0.0712 ( 1149 PWs) bands (ev): -11.3601 -11.3601 -0.0383 -0.0383 1.6925 1.6925 4.2690 4.3294 4.4520 4.4520 7.2737 7.2737 7.7371 8.3857 8.3857 8.5425 8.6944 9.5706 9.7259 9.7259 13.6223 13.6223 14.0487 14.0487 14.0921 14.2280 20.7302 20.7302 k = 0.0000 0.0000 0.0814 ( 1149 PWs) bands (ev): -11.3563 -11.3563 -0.1468 -0.1468 1.8200 1.8200 4.2735 4.3422 4.4576 4.4576 7.2774 7.2774 7.6751 8.3723 8.3723 8.5240 8.6969 9.6248 9.7265 9.7265 13.6209 13.6209 14.0555 14.0555 14.0830 14.2359 20.5384 20.5384 k = 0.0000 0.0000 0.0916 ( 1149 PWs) bands (ev): -11.3520 -11.3520 -0.2536 -0.2536 1.9482 1.9482 4.2791 4.3561 4.4639 4.4639 7.2813 7.2813 7.6134 8.3576 8.3576 8.4695 8.7345 9.6768 9.7269 9.7269 13.6194 13.6194 14.0633 14.0633 14.0746 14.2435 20.3464 20.3464 k = 0.0000 0.0000 0.1017 ( 1161 PWs) bands (ev): -11.3473 -11.3473 -0.3585 -0.3585 2.0768 2.0768 4.2858 4.3710 4.4708 4.4708 7.2855 7.2855 7.5522 8.3417 8.3417 8.4036 8.7821 9.7262 9.7268 9.7268 13.6178 13.6178 14.0669 14.0720 14.0720 14.2507 20.1545 20.1545 k = 0.0000 0.0000 0.1119 ( 1161 PWs) bands (ev): -11.3422 -11.3422 -0.4614 -0.4614 2.2056 2.2056 4.2937 4.3869 4.4783 4.4783 7.2900 7.2900 7.4915 8.3246 8.3246 8.3340 8.8324 9.7264 9.7264 9.7730 13.6164 13.6164 14.0602 14.0819 14.0819 14.2578 19.9633 19.9633 k = 0.0000 0.0000 0.1221 ( 1161 PWs) bands (ev): -11.3367 -11.3367 -0.5620 -0.5620 2.3345 2.3345 4.3026 4.4037 4.4864 4.4864 7.2946 7.2946 7.4315 8.2630 8.3067 8.3067 8.8830 9.7254 9.7254 9.8170 13.6150 13.6150 14.0545 14.0927 14.0927 14.2646 19.7730 19.7730 k = 0.0000 0.0000 0.1323 ( 1161 PWs) bands (ev): -11.3308 -11.3308 -0.6603 -0.6603 2.4633 2.4633 4.3127 4.4213 4.4950 4.4950 7.2993 7.2993 7.3722 8.1914 8.2878 8.2878 8.9333 9.7239 9.7239 9.8582 13.6139 13.6139 14.0499 14.1046 14.1046 14.2711 19.5839 19.5839 k = 0.0000 0.0000 0.1424 ( 1161 PWs) bands (ev): -11.3246 -11.3246 -0.7562 -0.7562 2.5917 2.5917 4.3237 4.4398 4.5041 4.5041 7.3041 7.3041 7.3137 8.1196 8.2682 8.2682 8.9827 9.7218 9.7218 9.8964 13.6131 13.6131 14.0466 14.1174 14.1174 14.2775 19.3965 19.3965 k = 0.0000 0.0000 0.1526 ( 1161 PWs) bands (ev): -11.3182 -11.3182 -0.8495 -0.8495 2.7195 2.7195 4.3358 4.4590 4.5137 4.5137 7.2563 7.3089 7.3089 8.0479 8.2480 8.2480 9.0312 9.7190 9.7190 9.9316 13.6126 13.6126 14.0446 14.1312 14.1312 14.2837 19.2109 19.2109 k = 0.0000 0.0000 0.1628 ( 1173 PWs) bands (ev): -11.3116 -11.3116 -0.9403 -0.9403 2.8464 2.8464 4.3488 4.4789 4.5236 4.5236 7.1999 7.3136 7.3136 7.9763 8.2271 8.2271 9.0786 9.7155 9.7155 9.9637 13.6126 13.6126 14.0437 14.1457 14.1457 14.2895 19.0274 19.0274 k = 0.0000 0.0000 0.1730 ( 1173 PWs) bands (ev): -11.3046 -11.3046 -1.0284 -1.0284 2.9726 2.9726 4.3628 4.4993 4.5338 4.5338 7.1447 7.3184 7.3184 7.9052 8.2058 8.2058 9.1248 9.7113 9.7113 9.9926 13.6133 13.6133 14.0446 14.1612 14.1612 14.2955 18.8464 18.8464 k = 0.0000 0.0000 0.1831 ( 1185 PWs) bands (ev): -11.2976 -11.2976 -1.1136 -1.1136 3.0975 3.0975 4.3777 4.5202 4.5444 4.5444 7.0908 7.3230 7.3230 7.8345 8.1840 8.1840 9.1699 9.7065 9.7065 10.0184 13.6147 13.6147 14.0468 14.1775 14.1775 14.3012 18.6679 18.6679 k = 0.0000 0.0000 0.1933 ( 1185 PWs) bands (ev): -11.2904 -11.2904 -1.1959 -1.1959 3.2210 3.2210 4.3934 4.5416 4.5552 4.5552 7.0384 7.3275 7.3275 7.7645 8.1617 8.1617 9.2137 9.7011 9.7011 10.0410 13.6170 13.6170 14.0506 14.1945 14.1945 14.3069 18.4923 18.4923 k = 0.0000 0.0000 0.2035 ( 1185 PWs) bands (ev): -11.2831 -11.2831 -1.2753 -1.2753 3.3429 3.3429 4.4100 4.5633 4.5662 4.5662 6.9876 7.3320 7.3320 7.6951 8.1390 8.1390 9.2563 9.6950 9.6950 10.0604 13.6203 13.6203 14.0558 14.2121 14.2121 14.3124 18.3199 18.3199 k = 0.0000 0.0000 0.2136 ( 1185 PWs) bands (ev): -11.2757 -11.2757 -1.3515 -1.3515 3.4628 3.4628 4.4274 4.5774 4.5774 4.5852 6.9386 7.3363 7.3363 7.6266 8.1159 8.1159 9.2977 9.6884 9.6884 10.0767 13.6247 13.6247 14.0625 14.2302 14.2302 14.3178 18.1509 18.1509 k = 0.0000 0.0000 0.2238 ( 1185 PWs) bands (ev): -11.2683 -11.2683 -1.4247 -1.4247 3.5806 3.5806 4.4455 4.5886 4.5886 4.6071 6.8914 7.3406 7.3406 7.5589 8.0925 8.0925 9.3379 9.6812 9.6812 10.0899 13.6303 13.6303 14.0705 14.2486 14.2486 14.3229 17.9855 17.9855 k = 0.0000 0.0000 0.2340 ( 1185 PWs) bands (ev): -11.2610 -11.2610 -1.4946 -1.4946 3.6958 3.6958 4.4643 4.5998 4.5998 4.6290 6.8463 7.3449 7.3449 7.4923 8.0686 8.0686 9.3769 9.6736 9.6736 10.1002 13.6373 13.6373 14.0798 14.2672 14.2672 14.3279 17.8241 17.8241 k = 0.0000 0.0000 0.2442 ( 1186 PWs) bands (ev): -11.2538 -11.2538 -1.5612 -1.5612 3.8083 3.8083 4.4836 4.6109 4.6109 4.6505 6.8034 7.3491 7.3491 7.4267 8.0444 8.0444 9.4148 9.6656 9.6656 10.1076 13.6457 13.6457 14.0904 14.2859 14.2859 14.3325 17.6669 17.6669 k = 0.0000 0.0000 0.2543 ( 1186 PWs) bands (ev): -11.2467 -11.2467 -1.6245 -1.6245 3.9176 3.9176 4.5035 4.6220 4.6220 4.6717 6.7630 7.3535 7.3535 7.3623 8.0198 8.0198 9.4515 9.6573 9.6573 10.1121 13.6556 13.6556 14.1019 14.3046 14.3046 14.3369 17.5143 17.5143 k = 0.0000 0.0000 0.2645 ( 1186 PWs) bands (ev): -11.2397 -11.2397 -1.6843 -1.6843 4.0234 4.0234 4.5237 4.6329 4.6329 4.6922 6.7251 7.2992 7.3579 7.3579 7.9949 7.9949 9.4871 9.6488 9.6488 10.1140 13.6670 13.6670 14.1145 14.3230 14.3230 14.3409 17.3666 17.3666 k = 0.0000 0.0000 0.2747 ( 1186 PWs) bands (ev): -11.2330 -11.2330 -1.7406 -1.7406 4.1253 4.1253 4.5444 4.6435 4.6435 4.7119 6.6902 7.2374 7.3626 7.3626 7.9696 7.9696 9.5217 9.6401 9.6401 10.1134 13.6800 13.6800 14.1278 14.3412 14.3412 14.3444 17.2241 17.2241 k = 0.0000 0.0000 0.2849 ( 1180 PWs) bands (ev): -11.2265 -11.2265 -1.7933 -1.7933 4.2231 4.2231 4.5653 4.6540 4.6540 4.7305 6.6582 7.1772 7.3675 7.3675 7.9441 7.9441 9.5553 9.6314 9.6314 10.1104 13.6945 13.6945 14.1418 14.3475 14.3588 14.3588 17.0874 17.0874 k = 0.0000 0.0000 0.2950 ( 1180 PWs) bands (ev): -11.2203 -11.2203 -1.8424 -1.8424 4.3159 4.3159 4.5864 4.6642 4.6642 4.7480 6.6295 7.1187 7.3727 7.3727 7.9184 7.9184 9.5879 9.6228 9.6228 10.1051 13.7104 13.7104 14.1562 14.3500 14.3758 14.3758 16.9568 16.9568 k = 0.0000 0.0000 0.3052 ( 1180 PWs) bands (ev): -11.2145 -11.2145 -1.8878 -1.8878 4.4033 4.4033 4.6075 4.6742 4.6742 4.7639 6.6043 7.0619 7.3784 7.3784 7.8926 7.8926 9.6143 9.6143 9.6196 10.0977 13.7276 13.7276 14.1710 14.3518 14.3920 14.3920 16.8327 16.8327 k = 0.0000 0.0000 0.3154 ( 1174 PWs) bands (ev): -11.2090 -11.2090 -1.9294 -1.9294 4.4847 4.4847 4.6285 4.6844 4.6844 4.7782 6.5829 7.0070 7.3846 7.3846 7.8669 7.8669 9.6060 9.6060 9.6504 10.0884 13.7459 13.7459 14.1861 14.3531 14.4073 14.4073 16.7158 16.7158 k = 0.0000 0.0000 0.3256 ( 1174 PWs) bands (ev): -11.2039 -11.2039 -1.9673 -1.9673 4.5585 4.5585 4.6492 4.6954 4.6954 4.7906 6.5653 6.9542 7.3913 7.3913 7.8414 7.8414 9.5981 9.5981 9.6803 10.0772 13.7648 13.7648 14.2010 14.3535 14.4216 14.4216 16.6066 16.6066 k = 0.0000 0.0000 0.3357 ( 1150 PWs) bands (ev): -11.1991 -11.1991 -2.0013 -2.0013 4.6222 4.6222 4.6701 4.7101 4.7101 4.8015 6.5519 6.9036 7.3985 7.3985 7.8163 7.8163 9.5908 9.5908 9.7096 10.0645 13.7841 13.7841 14.2163 14.3534 14.4350 14.4350 16.5059 16.5059 k = 0.0000 0.0000 0.3459 ( 1150 PWs) bands (ev): -11.1950 -11.1950 -2.0314 -2.0314 4.6673 4.6673 4.6901 4.7352 4.7352 4.8097 6.5427 6.8555 7.4062 7.4062 7.7921 7.7921 9.5840 9.5840 9.7380 10.0501 13.8033 13.8033 14.2308 14.3521 14.4468 14.4468 16.4142 16.4142 k = 0.0000 0.0000 0.3561 ( 1150 PWs) bands (ev): -11.1913 -11.1913 -2.0576 -2.0576 4.6896 4.6896 4.7092 4.7749 4.7749 4.8154 6.5378 6.8099 7.4142 7.4142 7.7690 7.7690 9.5778 9.5778 9.7655 10.0343 13.8218 13.8218 14.2450 14.3498 14.4572 14.4572 16.3325 16.3325 k = 0.0000 0.0000 0.3663 ( 1138 PWs) bands (ev): -11.1882 -11.1882 -2.0798 -2.0798 4.7006 4.7006 4.7276 4.8174 4.8174 4.8188 6.5375 6.7671 7.4224 7.4224 7.7475 7.7475 9.5724 9.5724 9.7924 10.0172 13.8391 13.8391 14.2587 14.3467 14.4662 14.4662 16.2614 16.2614 k = 0.0000 0.0000 0.3764 ( 1138 PWs) bands (ev): -11.1856 -11.1856 -2.0980 -2.0980 4.7073 4.7073 4.7447 4.8196 4.8551 4.8551 6.5416 6.7273 7.4303 7.4303 7.7282 7.7282 9.5679 9.5679 9.8185 9.9989 13.8544 13.8544 14.2716 14.3425 14.4736 14.4736 16.2019 16.2019 k = 0.0000 0.0000 0.3866 ( 1138 PWs) bands (ev): -11.1835 -11.1835 -2.1121 -2.1121 4.7118 4.7118 4.7606 4.8179 4.8855 4.8855 6.5503 6.6908 7.4376 7.4376 7.7119 7.7119 9.5642 9.5642 9.8439 9.9795 13.8671 13.8671 14.2838 14.3372 14.4794 14.4794 16.1546 16.1546 k = 0.0000 0.0000 0.3968 ( 1138 PWs) bands (ev): -11.1821 -11.1821 -2.1223 -2.1223 4.7149 4.7149 4.7750 4.8137 4.9076 4.9076 6.5634 6.6576 7.4436 7.4436 7.6993 7.6993 9.5616 9.5616 9.8685 9.9591 13.8768 13.8768 14.2951 14.3308 14.4836 14.4836 16.1203 16.1203 k = 0.0000 0.0000 0.4069 ( 1138 PWs) bands (ev): -11.1812 -11.1812 -2.1284 -2.1284 4.7167 4.7167 4.7877 4.8072 4.9211 4.9211 6.5808 6.6281 7.4475 7.4475 7.6913 7.6913 9.5600 9.5600 9.8924 9.9377 13.8827 13.8827 14.3055 14.3234 14.4861 14.4861 16.0994 16.0994 k = 0.0000 0.0000 0.4171 ( 1144 PWs) bands (ev): -11.1809 -11.1809 -2.1304 -2.1304 4.7172 4.7172 4.7985 4.7985 4.9256 4.9256 6.6024 6.6024 7.4489 7.4489 7.6886 7.6886 9.5595 9.5595 9.9154 9.9154 13.8847 13.8847 14.3150 14.3150 14.4869 14.4869 16.0924 16.0924 k = 0.0000 0.0000 0.4171 ( 1144 PWs) bands (ev): -11.1809 -11.1809 -2.1304 -2.1304 4.7172 4.7172 4.7985 4.7985 4.9256 4.9256 6.6024 6.6024 7.4489 7.4489 7.6886 7.6886 9.5595 9.5595 9.9154 9.9154 13.8847 13.8847 14.3150 14.3150 14.4869 14.4869 16.0924 16.0924 k = 0.0088 0.0051 0.4171 ( 1150 PWs) bands (ev): -11.1807 -11.1807 -2.1296 -2.1296 4.7160 4.7160 4.7972 4.7972 4.9246 4.9246 6.6025 6.6025 7.4486 7.4486 7.6897 7.6897 9.5606 9.5606 9.9165 9.9165 13.8763 13.8763 14.3201 14.3201 14.4894 14.4894 16.0951 16.0951 k = 0.0175 0.0101 0.4171 ( 1150 PWs) bands (ev): -11.1802 -11.1802 -2.1269 -2.1269 4.7126 4.7126 4.7937 4.7937 4.9217 4.9217 6.6026 6.6026 7.4476 7.4476 7.6930 7.6930 9.5641 9.5641 9.9197 9.9197 13.8525 13.8525 14.3331 14.3331 14.4980 14.4980 16.1030 16.1030 k = 0.0263 0.0152 0.4171 ( 1158 PWs) bands (ev): -11.1794 -11.1794 -2.1226 -2.1226 4.7071 4.7071 4.7881 4.7881 4.9170 4.9170 6.6029 6.6029 7.4463 7.4463 7.6983 7.6983 9.5698 9.5698 9.9250 9.9250 13.8169 13.8169 14.3474 14.3474 14.5157 14.5157 16.1162 16.1162 k = 0.0351 0.0203 0.4171 ( 1160 PWs) bands (ev): -11.1782 -11.1782 -2.1165 -2.1165 4.6992 4.6992 4.7802 4.7802 4.9108 4.9108 6.6032 6.6032 7.4448 7.4448 7.7057 7.7057 9.5779 9.5779 9.9324 9.9324 13.7729 13.7729 14.3570 14.3570 14.5451 14.5451 16.1347 16.1347 k = 0.0439 0.0253 0.4171 ( 1160 PWs) bands (ev): -11.1767 -11.1767 -2.1087 -2.1087 4.6889 4.6889 4.7701 4.7701 4.9032 4.9032 6.6034 6.6034 7.4433 7.4433 7.7148 7.7148 9.5881 9.5881 9.9419 9.9419 13.7233 13.7233 14.3592 14.3592 14.5861 14.5861 16.1582 16.1582 k = 0.0526 0.0304 0.4171 ( 1160 PWs) bands (ev): -11.1748 -11.1748 -2.0992 -2.0992 4.6759 4.6759 4.7580 4.7580 4.8945 4.8945 6.6034 6.6034 7.4422 7.4422 7.7256 7.7256 9.6004 9.6004 9.9535 9.9535 13.6695 13.6695 14.3550 14.3550 14.6362 14.6362 16.1869 16.1869 k = 0.0614 0.0355 0.4171 ( 1164 PWs) bands (ev): -11.1726 -11.1726 -2.0880 -2.0880 4.6598 4.6598 4.7441 4.7441 4.8849 4.8849 6.6030 6.6030 7.4419 7.4419 7.7378 7.7378 9.6148 9.6148 9.9671 9.9671 13.6126 13.6126 14.3455 14.3455 14.6928 14.6928 16.2205 16.2205 k = 0.0702 0.0405 0.4171 ( 1168 PWs) bands (ev): -11.1701 -11.1701 -2.0752 -2.0752 4.6405 4.6405 4.7285 4.7285 4.8747 4.8747 6.6023 6.6023 7.4427 7.4427 7.7514 7.7514 9.6311 9.6311 9.9827 9.9827 13.5534 13.5534 14.3321 14.3321 14.7543 14.7543 16.2589 16.2589 k = 0.0789 0.0456 0.4171 ( 1168 PWs) bands (ev): -11.1673 -11.1673 -2.0608 -2.0608 4.6177 4.6177 4.7118 4.7118 4.8641 4.8641 6.6009 6.6009 7.4449 7.4449 7.7663 7.7663 9.6491 9.6491 10.0002 10.0002 13.4921 13.4921 14.3154 14.3154 14.8194 14.8194 16.3021 16.3021 k = 0.0877 0.0506 0.4171 ( 1172 PWs) bands (ev): -11.1642 -11.1642 -2.0448 -2.0448 4.5913 4.5913 4.6941 4.6941 4.8530 4.8530 6.5987 6.5987 7.4488 7.4488 7.7822 7.7822 9.6688 9.6688 10.0196 10.0196 13.4290 13.4290 14.2957 14.2957 14.8873 14.8873 16.3499 16.3499 k = 0.0965 0.0557 0.4171 ( 1174 PWs) bands (ev): -11.1608 -11.1608 -2.0273 -2.0273 4.5614 4.5614 4.6757 4.6757 4.8416 4.8416 6.5958 6.5958 7.4547 7.4547 7.7992 7.7992 9.6901 9.6901 10.0408 10.0408 13.3643 13.3643 14.2734 14.2734 14.9577 14.9577 16.4021 16.4021 k = 0.1053 0.0608 0.4171 ( 1178 PWs) bands (ev): -11.1571 -11.1571 -2.0083 -2.0083 4.5281 4.5281 4.6567 4.6567 4.8299 4.8299 6.5918 6.5918 7.4630 7.4630 7.8171 7.8171 9.7128 9.7128 10.0638 10.0638 13.2979 13.2979 14.2487 14.2487 15.0301 15.0301 16.4585 16.4585 k = 0.1140 0.0658 0.4171 ( 1178 PWs) bands (ev): -11.1531 -11.1531 -1.9879 -1.9879 4.4916 4.4916 4.6370 4.6370 4.8179 4.8179 6.5869 6.5869 7.4737 7.4737 7.8358 7.8358 9.7367 9.7367 10.0884 10.0884 13.2301 13.2301 14.2217 14.2217 15.1043 15.1043 16.5189 16.5189 k = 0.1228 0.0709 0.4171 ( 1178 PWs) bands (ev): -11.1488 -11.1488 -1.9661 -1.9661 4.4523 4.4523 4.6169 4.6169 4.8057 4.8057 6.5809 6.5809 7.4871 7.4871 7.8554 7.8554 9.7618 9.7618 10.1147 10.1147 13.1608 13.1608 14.1925 14.1925 15.1801 15.1801 16.5832 16.5832 k = 0.1316 0.0760 0.4171 ( 1178 PWs) bands (ev): -11.1443 -11.1443 -1.9430 -1.9430 4.4105 4.4105 4.5961 4.5961 4.7932 4.7932 6.5739 6.5739 7.5033 7.5033 7.8757 7.8757 9.7878 9.7878 10.1425 10.1425 13.0901 13.0901 14.1611 14.1611 15.2574 15.2574 16.6510 16.6510 k = 0.1404 0.0810 0.4171 ( 1178 PWs) bands (ev): -11.1396 -11.1396 -1.9187 -1.9187 4.3664 4.3664 4.5748 4.5748 4.7805 4.7805 6.5660 6.5660 7.5224 7.5224 7.8966 7.8966 9.8147 9.8147 10.1717 10.1717 13.0181 13.0181 14.1276 14.1276 15.3358 15.3358 16.7222 16.7222 k = 0.1491 0.0861 0.4171 ( 1178 PWs) bands (ev): -11.1346 -11.1346 -1.8932 -1.8932 4.3204 4.3204 4.5529 4.5529 4.7675 4.7675 6.5572 6.5572 7.5443 7.5443 7.9181 7.9181 9.8424 9.8424 10.2022 10.2022 12.9447 12.9447 14.0922 14.0922 15.4153 15.4153 16.7965 16.7965 k = 0.1579 0.0912 0.4171 ( 1178 PWs) bands (ev): -11.1294 -11.1294 -1.8665 -1.8665 4.2728 4.2728 4.5306 4.5306 4.7543 4.7543 6.5476 6.5476 7.5692 7.5692 7.9402 7.9402 9.8706 9.8706 10.2339 10.2339 12.8701 12.8701 14.0547 14.0547 15.4957 15.4957 16.8737 16.8737 k = 0.1667 0.0962 0.4171 ( 1182 PWs) bands (ev): -11.1240 -11.1240 -1.8389 -1.8389 4.2237 4.2237 4.5079 4.5079 4.7408 4.7408 6.5376 6.5376 7.5969 7.5969 7.9628 7.9628 9.8994 9.8994 10.2667 10.2667 12.7942 12.7942 14.0153 14.0153 15.5768 15.5768 16.9535 16.9535 k = 0.1754 0.1013 0.4171 ( 1186 PWs) bands (ev): -11.1184 -11.1184 -1.8103 -1.8103 4.1734 4.1734 4.4847 4.4847 4.7272 4.7272 6.5271 6.5271 7.6273 7.6273 7.9857 7.9857 9.9284 9.9284 10.3005 10.3005 12.7173 12.7173 13.9740 13.9740 15.6585 15.6585 17.0355 17.0355 k = 0.1842 0.1064 0.4171 ( 1186 PWs) bands (ev): -11.1126 -11.1126 -1.7808 -1.7808 4.1222 4.1222 4.4612 4.4612 4.7135 4.7135 6.5165 6.5165 7.6605 7.6605 8.0090 8.0090 9.9578 9.9578 10.3351 10.3351 12.6394 12.6394 13.9311 13.9311 15.7406 15.7406 17.1196 17.1196 k = 0.1930 0.1114 0.4171 ( 1182 PWs) bands (ev): -11.1067 -11.1067 -1.7505 -1.7505 4.0703 4.0703 4.4375 4.4375 4.6997 4.6997 6.5060 6.5060 7.6962 7.6962 8.0325 8.0325 9.9873 9.9873 10.3705 10.3705 12.5608 12.5608 13.8864 13.8864 15.8233 15.8233 17.2053 17.2053 k = 0.2018 0.1165 0.4171 ( 1182 PWs) bands (ev): -11.1006 -11.1006 -1.7196 -1.7196 4.0178 4.0178 4.4137 4.4137 4.6859 4.6859 6.4956 6.4956 7.7343 7.7343 8.0562 8.0562 10.0169 10.0169 10.4064 10.4064 12.4813 12.4813 13.8402 13.8402 15.9058 15.9058 17.2924 17.2924 k = 0.2105 0.1215 0.4171 ( 1178 PWs) bands (ev): -11.0944 -11.0944 -1.6880 -1.6880 3.9650 3.9650 4.3897 4.3897 4.6720 4.6720 6.4857 6.4857 7.7748 7.7748 8.0800 8.0800 10.0464 10.0464 10.4426 10.4426 12.4014 12.4014 13.7924 13.7924 15.9884 15.9884 17.3806 17.3806 k = 0.2193 0.1266 0.4171 ( 1178 PWs) bands (ev): -11.0881 -11.0881 -1.6560 -1.6560 3.9120 3.9120 4.3657 4.3657 4.6581 4.6581 6.4764 6.4764 7.8174 7.8174 8.1038 8.1038 10.0758 10.0758 10.4791 10.4791 12.3210 12.3210 13.7431 13.7431 16.0707 16.0707 17.4695 17.4695 k = 0.2281 0.1317 0.4171 ( 1178 PWs) bands (ev): -11.0818 -11.0818 -1.6235 -1.6235 3.8591 3.8591 4.3417 4.3417 4.6443 4.6443 6.4680 6.4680 7.8620 7.8620 8.1275 8.1275 10.1051 10.1051 10.5156 10.5156 12.2405 12.2405 13.6924 13.6924 16.1527 16.1527 17.5587 17.5587 k = 0.2368 0.1367 0.4171 ( 1174 PWs) bands (ev): -11.0753 -11.0753 -1.5908 -1.5908 3.8063 3.8063 4.3178 4.3178 4.6305 4.6305 6.4605 6.4605 7.9086 7.9086 8.1511 8.1511 10.1340 10.1340 10.5519 10.5519 12.1602 12.1602 13.6404 13.6404 16.2344 16.2344 17.6478 17.6478 k = 0.2456 0.1418 0.4171 ( 1174 PWs) bands (ev): -11.0689 -11.0689 -1.5578 -1.5578 3.7538 3.7538 4.2940 4.2940 4.6169 4.6169 6.4541 6.4541 7.9568 7.9568 8.1743 8.1743 10.1625 10.1625 10.5878 10.5878 12.0803 12.0803 13.5871 13.5871 16.3154 16.3154 17.7366 17.7366 k = 0.2544 0.1469 0.4171 ( 1174 PWs) bands (ev): -11.0624 -11.0624 -1.5248 -1.5248 3.7018 3.7018 4.2705 4.2705 4.6034 4.6034 6.4491 6.4491 8.0066 8.0066 8.1971 8.1971 10.1906 10.1906 10.6231 10.6231 12.0011 12.0011 13.5326 13.5326 16.3957 16.3957 17.8246 17.8246 k = 0.2632 0.1519 0.4171 ( 1174 PWs) bands (ev): -11.0559 -11.0559 -1.4917 -1.4917 3.6504 3.6504 4.2472 4.2472 4.5901 4.5901 6.4454 6.4454 8.0578 8.0578 8.2194 8.2194 10.2182 10.2182 10.6574 10.6574 11.9231 11.9231 13.4771 13.4771 16.4752 16.4752 17.9114 17.9114 k = 0.2719 0.1570 0.4171 ( 1178 PWs) bands (ev): -11.0494 -11.0494 -1.4588 -1.4588 3.5997 3.5997 4.2243 4.2243 4.5769 4.5769 6.4433 6.4433 8.1102 8.1102 8.2410 8.2410 10.2451 10.2451 10.6903 10.6903 11.8466 11.8466 13.4206 13.4206 16.5538 16.5538 17.9965 17.9965 k = 0.2807 0.1621 0.4171 ( 1176 PWs) bands (ev): -11.0429 -11.0429 -1.4260 -1.4260 3.5500 3.5500 4.2018 4.2018 4.5641 4.5641 6.4428 6.4428 8.1636 8.1636 8.2621 8.2621 10.2714 10.2714 10.7215 10.7215 11.7725 11.7725 13.3632 13.3632 16.6314 16.6314 18.0797 18.0797 k = 0.2895 0.1671 0.4171 ( 1172 PWs) bands (ev): -11.0365 -11.0365 -1.3936 -1.3936 3.5014 3.5014 4.1798 4.1798 4.5516 4.5516 6.4440 6.4440 8.2175 8.2175 8.2825 8.2825 10.2969 10.2969 10.7505 10.7505 11.7012 11.7012 13.3051 13.3051 16.7079 16.7079 18.1607 18.1607 k = 0.2982 0.1722 0.4171 ( 1180 PWs) bands (ev): -11.0302 -11.0302 -1.3617 -1.3617 3.4538 3.4538 4.1583 4.1583 4.5392 4.5392 6.4470 6.4470 8.2705 8.2705 8.3035 8.3035 10.3215 10.3215 10.7765 10.7765 11.6336 11.6336 13.2463 13.2463 16.7831 16.7831 18.2387 18.2387 k = 0.3070 0.1773 0.4171 ( 1180 PWs) bands (ev): -11.0239 -11.0239 -1.3302 -1.3302 3.4074 3.4074 4.1373 4.1373 4.5273 4.5273 6.4518 6.4518 8.3103 8.3103 8.3370 8.3370 10.3451 10.3451 10.7987 10.7987 11.5709 11.5709 13.1871 13.1871 16.8572 16.8572 18.3136 18.3136 k = 0.3158 0.1823 0.4171 ( 1170 PWs) bands (ev): -11.0178 -11.0178 -1.2994 -1.2994 3.3624 3.3624 4.1170 4.1170 4.5158 4.5158 6.4584 6.4584 8.3303 8.3303 8.3894 8.3894 10.3676 10.3676 10.8162 10.8162 11.5143 11.5143 13.1277 13.1277 16.9300 16.9300 18.3850 18.3850 k = 0.3246 0.1874 0.4171 ( 1170 PWs) bands (ev): -11.0118 -11.0118 -1.2693 -1.2693 3.3189 3.3189 4.0973 4.0973 4.5046 4.5046 6.4669 6.4669 8.3457 8.3457 8.4449 8.4449 10.3887 10.3887 10.8279 10.8279 11.4651 11.4651 13.0680 13.0680 17.0013 17.0013 18.4526 18.4526 k = 0.3333 0.1925 0.4171 ( 1170 PWs) bands (ev): -11.0059 -11.0059 -1.2400 -1.2400 3.2768 3.2768 4.0783 4.0783 4.4938 4.4938 6.4771 6.4771 8.3589 8.3589 8.5009 8.5009 10.4084 10.4084 10.8328 10.8328 11.4247 11.4247 13.0084 13.0084 17.0711 17.0711 18.5161 18.5161 k = 0.3421 0.1975 0.4171 ( 1170 PWs) bands (ev): -11.0002 -11.0002 -1.2116 -1.2116 3.2365 3.2365 4.0601 4.0601 4.4834 4.4834 6.4890 6.4890 8.3702 8.3702 8.5568 8.5568 10.4262 10.4262 10.8303 10.8303 11.3941 11.3941 12.9489 12.9489 17.1394 17.1394 18.5753 18.5753 k = 0.3509 0.2026 0.4171 ( 1174 PWs) bands (ev): -10.9948 -10.9948 -1.1843 -1.1843 3.1977 3.1977 4.0426 4.0426 4.4735 4.4735 6.5026 6.5026 8.3794 8.3794 8.6122 8.6122 10.4419 10.4419 10.8207 10.8207 11.3735 11.3735 12.8899 12.8899 17.2060 17.2060 18.6301 18.6301 k = 0.3596 0.2076 0.4171 ( 1170 PWs) bands (ev): -10.9895 -10.9895 -1.1580 -1.1580 3.1609 3.1609 4.0260 4.0260 4.4640 4.4640 6.5177 6.5177 8.3866 8.3866 8.6669 8.6669 10.4550 10.4550 10.8055 10.8055 11.3623 11.3623 12.8315 12.8315 17.2710 17.2710 18.6805 18.6805 k = 0.3684 0.2127 0.4171 ( 1170 PWs) bands (ev): -10.9844 -10.9844 -1.1329 -1.1329 3.1259 3.1259 4.0102 4.0102 4.4551 4.4551 6.5343 6.5343 8.3917 8.3917 8.7204 8.7204 10.4648 10.4648 10.7867 10.7867 11.3589 11.3589 12.7739 12.7739 17.3342 17.3342 18.7264 18.7264 k = 0.3772 0.2178 0.4171 ( 1170 PWs) bands (ev): -10.9796 -10.9796 -1.1091 -1.1091 3.0928 3.0928 3.9952 3.9952 4.4466 4.4466 6.5520 6.5520 8.3948 8.3948 8.7727 8.7727 10.4705 10.4705 10.7672 10.7672 11.3616 11.3616 12.7176 12.7176 17.3954 17.3954 18.7679 18.7679 k = 0.3860 0.2228 0.4171 ( 1166 PWs) bands (ev): -10.9750 -10.9750 -1.0866 -1.0866 3.0617 3.0617 3.9812 3.9812 4.4387 4.4387 6.5707 6.5707 8.3957 8.3957 8.8232 8.8232 10.4717 10.4717 10.7494 10.7494 11.3687 11.3687 12.6626 12.6626 17.4547 17.4547 18.8053 18.8053 k = 0.3947 0.2279 0.4171 ( 1162 PWs) bands (ev): -10.9707 -10.9707 -1.0655 -1.0655 3.0328 3.0328 3.9681 3.9681 4.4313 4.4313 6.5903 6.5903 8.3947 8.3947 8.8717 8.8717 10.4677 10.4677 10.7354 10.7354 11.3786 11.3786 12.6094 12.6094 17.5117 17.5117 18.8387 18.8387 k = 0.4035 0.2330 0.4171 ( 1162 PWs) bands (ev): -10.9667 -10.9667 -1.0458 -1.0458 3.0059 3.0059 3.9559 3.9559 4.4244 4.4244 6.6103 6.6103 8.3918 8.3918 8.9179 8.9179 10.4590 10.4590 10.7259 10.7259 11.3901 11.3901 12.5583 12.5583 17.5662 17.5662 18.8686 18.8686 k = 0.4123 0.2380 0.4171 ( 1162 PWs) bands (ev): -10.9630 -10.9630 -1.0277 -1.0277 2.9812 2.9812 3.9448 3.9448 4.4181 4.4181 6.6305 6.6305 8.3873 8.3873 8.9614 8.9614 10.4465 10.4465 10.7210 10.7210 11.4025 11.4025 12.5097 12.5097 17.6182 17.6182 18.8952 18.8952 k = 0.4211 0.2431 0.4171 ( 1158 PWs) bands (ev): -10.9596 -10.9596 -1.0111 -1.0111 2.9588 2.9588 3.9347 3.9347 4.4124 4.4124 6.6505 6.6505 8.3813 8.3813 9.0019 9.0019 10.4317 10.4317 10.7199 10.7199 11.4149 11.4149 12.4639 12.4639 17.6671 17.6671 18.9189 18.9189 k = 0.4298 0.2482 0.4171 ( 1154 PWs) bands (ev): -10.9566 -10.9566 -0.9961 -0.9961 2.9386 2.9386 3.9255 3.9255 4.4073 4.4073 6.6700 6.6700 8.3743 8.3743 9.0392 9.0392 10.4161 10.4161 10.7213 10.7213 11.4270 11.4270 12.4213 12.4213 17.7128 17.7128 18.9401 18.9401 k = 0.4386 0.2532 0.4171 ( 1160 PWs) bands (ev): -10.9538 -10.9538 -0.9829 -0.9829 2.9205 2.9205 3.9174 3.9174 4.4027 4.4027 6.6886 6.6886 8.3667 8.3667 9.0727 9.0727 10.4007 10.4007 10.7243 10.7243 11.4382 11.4382 12.3824 12.3824 17.7548 17.7548 18.9591 18.9591 k = 0.4474 0.2583 0.4171 ( 1160 PWs) bands (ev): -10.9515 -10.9515 -0.9713 -0.9713 2.9049 2.9049 3.9103 3.9103 4.3987 4.3987 6.7058 6.7058 8.3587 8.3587 9.1024 9.1024 10.3865 10.3865 10.7282 10.7282 11.4485 11.4485 12.3476 12.3476 17.7926 17.7926 18.9761 18.9761 k = 0.4561 0.2634 0.4171 ( 1156 PWs) bands (ev): -10.9494 -10.9494 -0.9614 -0.9614 2.8916 2.8916 3.9044 3.9044 4.3953 4.3953 6.7213 6.7213 8.3510 8.3510 9.1280 9.1280 10.3741 10.3741 10.7323 10.7323 11.4574 11.4574 12.3173 12.3173 17.8257 17.8257 18.9913 18.9913 k = 0.4649 0.2684 0.4171 ( 1156 PWs) bands (ev): -10.9478 -10.9478 -0.9533 -0.9533 2.8807 2.8807 3.8994 3.8994 4.3925 4.3925 6.7346 6.7346 8.3439 8.3439 9.1492 9.1492 10.3638 10.3638 10.7361 10.7361 11.4649 11.4649 12.2919 12.2919 17.8537 17.8537 19.0045 19.0045 k = 0.4737 0.2735 0.4171 ( 1156 PWs) bands (ev): -10.9465 -10.9465 -0.9470 -0.9470 2.8722 2.8722 3.8956 3.8956 4.3904 4.3904 6.7454 6.7454 8.3379 8.3379 9.1658 9.1658 10.3557 10.3557 10.7394 10.7394 11.4708 11.4708 12.2717 12.2717 17.8761 17.8761 19.0154 19.0154 k = 0.4825 0.2785 0.4171 ( 1156 PWs) bands (ev): -10.9455 -10.9455 -0.9424 -0.9424 2.8661 2.8661 3.8929 3.8929 4.3888 4.3888 6.7534 6.7534 8.3333 8.3333 9.1778 9.1778 10.3499 10.3499 10.7420 10.7420 11.4751 11.4751 12.2571 12.2571 17.8925 17.8925 19.0237 19.0237 k = 0.4912 0.2836 0.4171 ( 1156 PWs) bands (ev): -10.9449 -10.9449 -0.9397 -0.9397 2.8624 2.8624 3.8912 3.8912 4.3879 4.3879 6.7582 6.7582 8.3304 8.3304 9.1850 9.1850 10.3464 10.3464 10.7435 10.7435 11.4778 11.4778 12.2481 12.2481 17.9025 17.9025 19.0290 19.0290 k = 0.5000 0.2887 0.4171 ( 1160 PWs) bands (ev): -10.9448 -10.9448 -0.9388 -0.9388 2.8612 2.8612 3.8907 3.8907 4.3876 4.3876 6.7599 6.7599 8.3294 8.3294 9.1874 9.1874 10.3453 10.3453 10.7441 10.7441 11.4786 11.4786 12.2451 12.2451 17.9058 17.9058 19.0308 19.0308 k = 0.5000 0.2887 0.4171 ( 1160 PWs) bands (ev): -10.9448 -10.9448 -0.9388 -0.9388 2.8612 2.8612 3.8907 3.8907 4.3876 4.3876 6.7599 6.7599 8.3294 8.3294 9.1874 9.1874 10.3453 10.3453 10.7441 10.7441 11.4786 11.4786 12.2451 12.2451 17.9058 17.9058 19.0308 19.0308 k = 0.4949 0.2974 0.4171 ( 1156 PWs) bands (ev): -10.9447 -10.9447 -0.9414 -0.9356 2.8592 2.8632 3.8888 3.8919 4.3859 4.3884 6.7549 6.7673 8.3285 8.3305 9.1816 9.1950 10.3347 10.3546 10.7439 10.7442 11.4724 11.4849 12.2202 12.2625 17.8958 17.9246 19.0311 19.0349 k = 0.4899 0.3062 0.4171 ( 1156 PWs) bands (ev): -10.9446 -10.9445 -0.9434 -0.9318 2.8571 2.8650 3.8863 3.8924 4.3832 4.3884 6.7523 6.7772 8.3278 8.3317 9.1775 9.2043 10.3229 10.3627 10.7436 10.7442 11.4661 11.4912 12.1878 12.2718 17.8947 17.9520 19.0359 19.0434 k = 0.4848 0.3149 0.4171 ( 1156 PWs) bands (ev): -10.9443 -10.9441 -0.9448 -0.9275 2.8548 2.8667 3.8831 3.8922 4.3796 4.3874 6.7521 6.7896 8.3273 8.3329 9.1751 9.2153 10.3099 10.3692 10.7435 10.7441 11.4597 11.4977 12.1483 12.2733 17.9026 17.9876 19.0451 19.0564 k = 0.4798 0.3237 0.4171 ( 1156 PWs) bands (ev): -10.9439 -10.9436 -0.9456 -0.9226 2.8524 2.8683 3.8793 3.8914 4.3751 4.3856 6.7544 6.8044 8.3271 8.3343 9.1742 9.2281 10.2958 10.3742 10.7435 10.7438 11.4531 11.5044 12.1024 12.2669 17.9193 18.0310 19.0585 19.0736 k = 0.4747 0.3324 0.4171 ( 1156 PWs) bands (ev): -10.9434 -10.9431 -0.9458 -0.9172 2.8499 2.8698 3.8751 3.8900 4.3697 4.3829 6.7590 6.8217 8.3272 8.3356 9.1750 9.2425 10.2805 10.3774 10.7433 10.7438 11.4460 11.5113 12.0506 12.2529 17.9446 18.0819 19.0762 19.0952 k = 0.4697 0.3412 0.4171 ( 1156 PWs) bands (ev): -10.9427 -10.9424 -0.9455 -0.9112 2.8473 2.8711 3.8704 3.8881 4.3633 4.3794 6.7661 6.8414 8.3276 8.3369 9.1773 9.2586 10.2641 10.3787 10.7427 10.7444 11.4385 11.5184 11.9937 12.2316 17.9782 18.1395 19.0981 19.1208 k = 0.4646 0.3499 0.4171 ( 1152 PWs) bands (ev): -10.9420 -10.9416 -0.9446 -0.9048 2.8445 2.8722 3.8654 3.8858 4.3560 4.3749 6.7755 6.8636 8.3284 8.3382 9.1811 9.2763 10.2465 10.3777 10.7419 10.7454 11.4301 11.5258 11.9329 12.2036 18.0196 18.2034 19.1239 19.1504 k = 0.4596 0.3587 0.4171 ( 1148 PWs) bands (ev): -10.9411 -10.9406 -0.9432 -0.8980 2.8416 2.8731 3.8602 3.8831 4.3478 4.3697 6.7873 6.8882 8.3297 8.3394 9.1862 9.2955 10.2278 10.3742 10.7411 10.7469 11.4206 11.5335 11.8691 12.1692 18.0685 18.2730 19.1535 19.1839 k = 0.4545 0.3674 0.4171 ( 1148 PWs) bands (ev): -10.9402 -10.9396 -0.9413 -0.8907 2.8384 2.8738 3.8548 3.8802 4.3387 4.3636 6.8014 6.9153 8.3313 8.3404 9.1927 9.3161 10.2079 10.3680 10.7401 10.7489 11.4094 11.5414 11.8035 12.1289 18.1242 18.3475 19.1867 19.2210 k = 0.4495 0.3762 0.4171 ( 1144 PWs) bands (ev): -10.9391 -10.9385 -0.9388 -0.8831 2.8350 2.8741 3.8495 3.8771 4.3287 4.3567 6.8178 6.9448 8.3334 8.3413 9.2003 9.3379 10.1869 10.3587 10.7390 10.7513 11.3957 11.5497 11.7381 12.0834 18.1861 18.4265 19.2234 19.2615 k = 0.4444 0.3849 0.4171 ( 1148 PWs) bands (ev): -10.9380 -10.9373 -0.9360 -0.8751 2.8314 2.8742 3.8442 3.8739 4.3178 4.3490 6.8365 6.9768 8.3360 8.3420 9.2091 9.3607 10.1650 10.3460 10.7380 10.7539 11.3782 11.5581 11.6749 12.0332 18.2537 18.5091 19.2632 19.3052 k = 0.4394 0.3936 0.4171 ( 1148 PWs) bands (ev): -10.9368 -10.9361 -0.9327 -0.8669 2.8275 2.8740 3.8392 3.8709 4.3060 4.3405 6.8574 7.0112 8.3390 8.3424 9.2189 9.3844 10.1423 10.3296 10.7370 10.7566 11.3553 11.5667 11.6170 11.9790 18.3263 18.5947 19.3060 19.3518 k = 0.4343 0.4024 0.4171 ( 1148 PWs) bands (ev): -10.9355 -10.9348 -0.9291 -0.8584 2.8234 2.8734 3.8346 3.8679 4.2934 4.3313 6.8805 7.0480 8.3424 8.3425 9.2296 9.4085 10.1192 10.3092 10.7360 10.7589 11.3251 11.5673 11.5754 11.9215 18.4032 18.6826 19.3515 19.4010 k = 0.4293 0.4111 0.4171 ( 1148 PWs) bands (ev): -10.9342 -10.9334 -0.9251 -0.8498 2.8190 2.8724 3.8305 3.8653 4.2801 4.3215 6.9058 7.0871 8.3421 8.3463 9.2411 9.4328 10.0960 10.2844 10.7351 10.7603 11.2872 11.5277 11.5841 11.8614 18.4837 18.7720 19.3994 19.4525 k = 0.4242 0.4199 0.4171 ( 1148 PWs) bands (ev): -10.9328 -10.9320 -0.9209 -0.8410 2.8143 2.8710 3.8270 3.8630 4.2660 4.3109 6.9331 7.1286 8.3412 8.3505 9.2534 9.4565 10.0734 10.2549 10.7344 10.7600 11.2437 11.4979 11.5926 11.7993 18.5671 18.8622 19.4495 19.5060 k = 0.4192 0.4286 0.4171 ( 1152 PWs) bands (ev): -10.9314 -10.9305 -0.9164 -0.8322 2.8095 2.8693 3.8242 3.8612 4.2513 4.2998 6.9624 7.1723 8.3397 8.3549 9.2661 9.4789 10.0522 10.2204 10.7337 10.7572 11.1985 11.4756 11.6000 11.7365 18.6527 18.9522 19.5016 19.5611 k = 0.4141 0.4374 0.4171 ( 1148 PWs) bands (ev): -10.9300 -10.9290 -0.9117 -0.8234 2.8043 2.8671 3.8223 3.8599 4.2360 4.2882 6.9936 7.2183 8.3374 8.3596 9.2794 9.4990 10.0337 10.1807 10.7333 10.7507 11.1560 11.4584 11.6031 11.6768 18.7398 19.0411 19.5554 19.6173 k = 0.4091 0.4461 0.4171 ( 1148 PWs) bands (ev): -10.9285 -10.9275 -0.9069 -0.8146 2.7990 2.8646 3.8213 3.8592 4.2201 4.2761 7.0266 7.2665 8.3342 8.3642 9.2929 9.5157 10.0191 10.1356 10.7329 10.7397 11.1194 11.4445 11.5807 11.6416 18.8275 19.1279 19.6107 19.6742 k = 0.4040 0.4549 0.4171 ( 1148 PWs) bands (ev): -10.9271 -10.9260 -0.9019 -0.8060 2.7934 2.8616 3.8214 3.8593 4.2037 4.2635 7.0613 7.3167 8.3300 8.3687 9.3065 9.5274 10.0102 10.0854 10.7236 10.7328 11.0909 11.4327 11.5233 11.6408 18.9150 19.2113 19.6671 19.7312 k = 0.3990 0.4636 0.4171 ( 1148 PWs) bands (ev): -10.9256 -10.9246 -0.8970 -0.7975 2.7878 2.8584 3.8223 3.8599 4.1869 4.2506 7.0975 7.3689 8.3245 8.3728 9.3202 9.5331 10.0084 10.0306 10.7030 10.7328 11.0710 11.4224 11.4582 11.6472 19.0014 19.2902 19.7243 19.7876 k = 0.3939 0.4724 0.4171 ( 1148 PWs) bands (ev): -10.9242 -10.9231 -0.8920 -0.7893 2.7821 2.8549 3.8244 3.8612 4.1698 4.2376 7.1349 7.4230 8.3177 8.3761 9.3336 9.5321 9.9719 10.0147 10.6789 10.7328 11.0589 11.3917 11.4130 11.6550 19.0859 19.3636 19.7815 19.8424 k = 0.3889 0.4811 0.4171 ( 1148 PWs) bands (ev): -10.9228 -10.9217 -0.8872 -0.7814 2.7763 2.8512 3.8275 3.8632 4.1524 4.2244 7.1735 7.4787 8.3094 8.3783 9.3465 9.5244 9.9103 10.0294 10.6530 10.7330 11.0530 11.3250 11.4044 11.6630 19.1672 19.4306 19.8379 19.8948 k = 0.3838 0.4899 0.4171 ( 1150 PWs) bands (ev): -10.9215 -10.9204 -0.8824 -0.7738 2.7705 2.8472 3.8317 3.8657 4.1349 4.2113 7.2128 7.5360 8.2995 8.3790 9.3589 9.5112 9.8472 10.0520 10.6266 10.7332 11.0519 11.2587 11.3965 11.6709 19.2446 19.4905 19.8922 19.9437 k = 0.3788 0.4986 0.4171 ( 1150 PWs) bands (ev): -10.9203 -10.9191 -0.8779 -0.7667 2.7650 2.8432 3.8370 3.8689 4.1174 4.1984 7.2526 7.5947 8.2879 8.3775 9.3703 9.4938 9.7842 10.0813 10.6008 10.7334 11.0539 11.1930 11.3891 11.6784 19.3169 19.5432 19.9435 19.9885 k = 0.3737 0.5074 0.4171 ( 1146 PWs) bands (ev): -10.9191 -10.9179 -0.8735 -0.7601 2.7596 2.8393 3.8433 3.8727 4.1001 4.1858 7.2923 7.6544 8.2746 8.3731 9.3805 9.4740 9.7229 10.1163 10.5765 10.7337 11.0580 11.1283 11.3823 11.6855 19.3833 19.5889 19.9907 20.0288 k = 0.3687 0.5161 0.4171 ( 1150 PWs) bands (ev): -10.9180 -10.9168 -0.8695 -0.7540 2.7545 2.8353 3.8504 3.8766 4.0829 4.1736 7.3315 7.7149 8.2598 8.3651 9.3892 9.4531 9.6651 10.1557 10.5540 10.7337 11.0632 11.0647 11.3761 11.6920 19.4428 19.6278 20.0334 20.0648 k = 0.3636 0.5249 0.4171 ( 1146 PWs) bands (ev): -10.9170 -10.9158 -0.8658 -0.7486 2.7498 2.8316 3.8584 3.8809 4.0662 4.1623 7.3694 7.7758 8.2437 8.3527 9.3959 9.4325 9.6126 10.1985 10.5338 10.7337 11.0027 11.0690 11.3705 11.6978 19.4950 19.6605 20.0716 20.0970 k = 0.3586 0.5336 0.4171 ( 1142 PWs) bands (ev): -10.9161 -10.9149 -0.8626 -0.7438 2.7455 2.8282 3.8670 3.8851 4.0502 4.1519 7.4051 7.8367 8.2270 8.3350 9.4004 9.4135 9.5673 10.2435 10.5161 10.7335 10.9428 11.0746 11.3657 11.7030 19.5393 19.6872 20.1052 20.1259 k = 0.3535 0.5424 0.4171 ( 1142 PWs) bands (ev): -10.9154 -10.9141 -0.8598 -0.7398 2.7418 2.8251 3.8758 3.8891 4.0352 4.1428 7.4376 7.8971 8.2104 8.3114 9.3967 9.4024 9.5306 10.2894 10.5013 10.7331 10.8858 11.0798 11.3616 11.7073 19.5756 19.7085 20.1344 20.1514 k = 0.3485 0.5511 0.4171 ( 1142 PWs) bands (ev): -10.9148 -10.9135 -0.8575 -0.7366 2.7388 2.8226 3.8844 3.8927 4.0218 4.1352 7.4654 7.9562 8.1951 8.2817 9.3828 9.4024 9.5031 10.3341 10.4894 10.7324 10.8332 11.0841 11.3584 11.7108 19.6039 19.7248 20.1585 20.1732 k = 0.3434 0.5599 0.4171 ( 1146 PWs) bands (ev): -10.9144 -10.9131 -0.8559 -0.7343 2.7365 2.8206 3.8920 3.8955 4.0106 4.1294 7.4871 8.0125 8.1823 8.2465 9.3725 9.4015 9.4841 10.3743 10.4806 10.7316 10.7880 11.0873 11.3561 11.7134 19.6241 19.7361 20.1773 20.1907 k = 0.3384 0.5686 0.4171 ( 1146 PWs) bands (ev): -10.9141 -10.9128 -0.8548 -0.7328 2.7351 2.8194 3.8973 3.8975 4.0030 4.1258 7.5011 8.0621 8.1738 8.2096 9.3662 9.4015 9.4724 10.4043 10.4753 10.7313 10.7551 11.0893 11.3548 11.7149 19.6362 19.7429 20.1898 20.2028 k = 0.3333 0.5774 0.4171 ( 1146 PWs) bands (ev): -10.9140 -10.9127 -0.8545 -0.7323 2.7346 2.8189 3.8979 3.8996 4.0002 4.1246 7.5060 8.0876 8.1707 8.1883 9.3640 9.4020 9.4680 10.4158 10.4735 10.7335 10.7404 11.0900 11.3544 11.7155 19.6403 19.7452 20.1944 20.2074 k = 0.3333 0.5774 0.4171 ( 1146 PWs) bands (ev): -10.9140 -10.9127 -0.8545 -0.7323 2.7346 2.8189 3.8979 3.8996 4.0002 4.1246 7.5060 8.0876 8.1707 8.1883 9.3640 9.4020 9.4680 10.4158 10.4735 10.7335 10.7404 11.0900 11.3544 11.7155 19.6403 19.7452 20.1944 20.2074 k = 0.3282 0.5685 0.4171 ( 1146 PWs) bands (ev): -10.9141 -10.9128 -0.8549 -0.7328 2.7351 2.8194 3.8973 3.8974 4.0031 4.1259 7.5008 8.0604 8.1740 8.2113 9.3663 9.3999 9.4739 10.4037 10.4754 10.7290 10.7580 11.0893 11.3548 11.7149 19.6360 19.7428 20.1888 20.2017 k = 0.3231 0.5596 0.4171 ( 1146 PWs) bands (ev): -10.9144 -10.9131 -0.8561 -0.7345 2.7368 2.8209 3.8916 3.8953 4.0111 4.1297 7.4854 8.0058 8.1838 8.2538 9.3733 9.3917 9.4930 10.3715 10.4810 10.7247 10.7973 11.0874 11.3560 11.7132 19.6224 19.7355 20.1704 20.1827 k = 0.3179 0.5507 0.4171 ( 1142 PWs) bands (ev): -10.9149 -10.9137 -0.8581 -0.7372 2.7397 2.8236 3.8835 3.8922 4.0229 4.1360 7.4606 7.9424 8.1994 8.2977 9.3777 9.3851 9.5242 10.3269 10.4904 10.7206 10.8506 11.0844 11.3578 11.7102 19.5987 19.7227 20.1374 20.1492 k = 0.3128 0.5418 0.4171 ( 1142 PWs) bands (ev): -10.9157 -10.9144 -0.8611 -0.7411 2.7439 2.8274 3.8743 3.8882 4.0372 4.1444 7.4278 7.8747 8.2193 8.3394 9.3594 9.4017 9.5654 10.2753 10.5033 10.7161 10.9127 11.0805 11.3601 11.7060 19.5634 19.7032 20.0900 20.1033 k = 0.3077 0.5329 0.4171 ( 1146 PWs) bands (ev): -10.9167 -10.9154 -0.8650 -0.7462 2.7495 2.8325 3.8647 3.8835 4.0534 4.1548 7.3884 7.8043 8.2420 8.3777 9.3374 9.4231 9.6151 10.2199 10.5195 10.7111 10.9806 11.0761 11.3628 11.7005 19.5153 19.6752 20.0314 20.0500 k = 0.3026 0.5241 0.4171 ( 1146 PWs) bands (ev): -10.9179 -10.9166 -0.8699 -0.7526 2.7566 2.8390 3.8553 3.8784 4.0708 4.1669 7.3440 7.7326 8.2661 8.4121 9.3122 9.4493 9.6720 10.1625 10.5388 10.7054 11.0525 11.0715 11.3659 11.6936 19.4534 19.6358 19.9679 19.9952 k = 0.2974 0.5152 0.4171 ( 1138 PWs) bands (ev): -10.9193 -10.9181 -0.8759 -0.7603 2.7652 2.8470 3.8465 3.8733 4.0892 4.1804 7.2960 7.6604 8.2903 8.4424 9.2843 9.4800 9.7350 10.1040 10.5607 10.6991 11.0672 11.1277 11.3692 11.6854 19.3784 19.5821 19.9061 19.9430 k = 0.2923 0.5063 0.4171 ( 1142 PWs) bands (ev): -10.9210 -10.9198 -0.8829 -0.7692 2.7754 2.8564 3.8384 3.8683 4.1083 4.1951 7.2455 7.5884 8.3137 8.4685 9.2537 9.5149 9.8030 10.0452 10.5844 10.6919 11.0635 11.2053 11.3729 11.6759 19.2918 19.5120 19.8507 19.8947 k = 0.2872 0.4974 0.4171 ( 1142 PWs) bands (ev): -10.9230 -10.9218 -0.8911 -0.7795 2.7871 2.8673 3.8311 3.8636 4.1280 4.2107 7.1934 7.5170 8.3354 8.4906 9.2210 9.5530 9.8752 9.9873 10.6094 10.6841 11.0611 11.2851 11.3772 11.6652 19.1961 19.4272 19.8028 19.8501 k = 0.2821 0.4885 0.4171 ( 1142 PWs) bands (ev): -10.9252 -10.9241 -0.9004 -0.7911 2.8004 2.8798 3.8248 3.8594 4.1481 4.2271 7.1404 7.4468 8.3548 8.5088 9.1862 9.5925 9.9319 9.9504 10.6348 10.6754 11.0607 11.3666 11.3824 11.6532 19.0938 19.3312 19.7604 19.8080 k = 0.2769 0.4796 0.4171 ( 1146 PWs) bands (ev): -10.9277 -10.9266 -0.9108 -0.8041 2.8155 2.8939 3.8196 3.8558 4.1685 4.2442 7.0872 7.3781 8.3717 8.5230 9.1497 9.6289 9.8834 10.0277 10.6594 10.6660 11.0626 11.3892 11.4492 11.6403 18.9872 19.2277 19.7209 19.7671 k = 0.2718 0.4708 0.4171 ( 1146 PWs) bands (ev): -10.9305 -10.9294 -0.9225 -0.8185 2.8323 2.9098 3.8156 3.8530 4.1892 4.2619 7.0344 7.3112 8.3857 8.5334 9.1117 9.6509 9.8530 10.1060 10.6559 10.6824 11.0674 11.3985 11.5311 11.6283 18.8781 19.1196 19.6821 19.7261 k = 0.2667 0.4619 0.4171 ( 1146 PWs) bands (ev): -10.9335 -10.9324 -0.9353 -0.8342 2.8509 2.9273 3.8127 3.8510 4.2100 4.2799 6.9823 7.2463 8.3969 8.5402 9.0724 9.6412 9.8576 10.1841 10.6451 10.7030 11.0749 11.4115 11.5896 11.6396 18.7675 19.0090 19.6424 19.6841 k = 0.2615 0.4530 0.4171 ( 1144 PWs) bands (ev): -10.9368 -10.9357 -0.9494 -0.8513 2.8712 2.9465 3.8112 3.8500 4.2310 4.2983 6.9314 7.1838 8.4051 8.5433 9.0321 9.6021 9.8944 10.2606 10.6337 10.7209 11.0844 11.4299 11.5837 11.7151 18.6566 18.8971 19.6009 19.6402 k = 0.2564 0.4441 0.4171 ( 1142 PWs) bands (ev): -10.9403 -10.9393 -0.9647 -0.8697 2.8934 2.9675 3.8109 3.8500 4.2521 4.3169 6.8820 7.1238 8.4105 8.5428 8.9911 9.5488 9.9478 10.3338 10.6217 10.7371 11.0943 11.4556 11.5666 11.8013 18.5458 18.7847 19.5567 19.5938 k = 0.2513 0.4352 0.4171 ( 1142 PWs) bands (ev): -10.9441 -10.9431 -0.9812 -0.8895 2.9173 2.9902 3.8120 3.8511 4.2732 4.3357 6.8342 7.0664 8.4131 8.5388 8.9496 9.4895 10.0091 10.4012 10.6094 10.7538 11.1028 11.4900 11.5473 11.8895 18.4357 18.6724 19.5093 19.5444 k = 0.2462 0.4264 0.4171 ( 1142 PWs) bands (ev): -10.9481 -10.9472 -0.9989 -0.9107 2.9431 3.0147 3.8145 3.8534 4.2942 4.3546 6.7885 7.0118 8.4132 8.5313 8.9080 9.4274 10.0745 10.4591 10.5970 10.7745 11.1083 11.5267 11.5342 11.9786 18.3264 18.5606 19.4584 19.4916 k = 0.2410 0.4175 0.4171 ( 1140 PWs) bands (ev): -10.9524 -10.9515 -1.0179 -0.9331 2.9707 3.0409 3.8183 3.8568 4.3151 4.3736 6.7448 6.9600 8.4107 8.5202 8.8664 9.3637 10.1417 10.5034 10.5849 10.8037 11.1101 11.5051 11.5883 12.0681 18.2183 18.4495 19.4036 19.4353 k = 0.2359 0.4086 0.4171 ( 1144 PWs) bands (ev): -10.9569 -10.9561 -1.0381 -0.9568 3.0000 3.0688 3.8235 3.8614 4.3359 4.3924 6.7035 6.9112 8.4059 8.5054 8.8254 9.2990 10.2091 10.5317 10.5740 10.8441 11.1082 11.4828 11.6513 12.1578 18.1114 18.3392 19.3450 19.3752 k = 0.2308 0.3997 0.4171 ( 1152 PWs) bands (ev): -10.9617 -10.9609 -1.0595 -0.9817 3.0311 3.0984 3.8301 3.8671 4.3564 4.4112 6.6646 6.8654 8.3989 8.4870 8.7850 9.2338 10.2739 10.5449 10.5658 10.8942 11.1039 11.4603 11.7221 12.2475 18.0059 18.2299 19.2822 19.3111 k = 0.2256 0.3908 0.4171 ( 1156 PWs) bands (ev): -10.9667 -10.9659 -1.0820 -1.0079 3.0640 3.1297 3.8381 3.8742 4.3768 4.4299 6.6283 6.8227 8.3898 8.4648 8.7457 9.1682 10.3319 10.5466 10.5641 10.9484 11.1002 11.4380 11.7994 12.3370 17.9016 18.1217 19.2157 19.2434 k = 0.2205 0.3819 0.4171 ( 1152 PWs) bands (ev): -10.9719 -10.9711 -1.1056 -1.0351 3.0986 3.1628 3.8476 3.8826 4.3970 4.4485 6.5946 6.7830 8.3788 8.4389 8.7077 9.1026 10.3757 10.5404 10.5753 10.9942 11.1070 11.4166 11.8821 12.4262 17.7987 18.0146 19.1454 19.1720 k = 0.2154 0.3731 0.4171 ( 1152 PWs) bands (ev): -10.9773 -10.9766 -1.1303 -1.0635 3.1350 3.1974 3.8586 3.8922 4.4169 4.4669 6.5636 6.7465 8.3659 8.4094 8.6711 9.0369 10.3983 10.5288 10.6053 11.0120 11.1421 11.3969 11.9688 12.5148 17.6970 17.9084 19.0714 19.0971 k = 0.2103 0.3642 0.4171 ( 1158 PWs) bands (ev): -10.9829 -10.9822 -1.1561 -1.0929 3.1729 3.2336 3.8709 3.9031 4.4365 4.4850 6.5354 6.7130 8.3514 8.3766 8.6360 8.9714 10.4018 10.5133 10.6504 11.0050 11.2014 11.3804 12.0586 12.6026 17.5965 17.8033 18.9939 19.0187 k = 0.2051 0.3553 0.4171 ( 1158 PWs) bands (ev): -10.9887 -10.9880 -1.1828 -1.1232 3.2125 3.2714 3.8846 3.9153 4.4557 4.5029 6.5099 6.6826 8.3352 8.3408 8.6021 8.9063 10.3939 10.4951 10.7010 10.9878 11.2699 11.3688 12.1507 12.6895 17.4971 17.6990 18.9133 18.9373 k = 0.2000 0.3464 0.4171 ( 1158 PWs) bands (ev): -10.9946 -10.9940 -1.2105 -1.1544 3.2537 3.3107 3.8998 3.9287 4.4747 4.5205 6.4872 6.6552 8.3024 8.3174 8.5694 8.8417 10.3801 10.4747 10.7492 10.9657 11.3420 11.3647 12.2445 12.7754 17.3988 17.5957 18.8298 18.8530 k = 0.1949 0.3375 0.4171 ( 1158 PWs) bands (ev): -11.0007 -11.0001 -1.2391 -1.1864 3.2964 3.3514 3.9164 3.9434 4.4932 4.5377 6.4673 6.6308 8.2620 8.2982 8.5376 8.7776 10.3629 10.4526 10.7892 10.9405 11.3710 11.4159 12.3391 12.8600 17.3014 17.4932 18.7436 18.7660 k = 0.1897 0.3286 0.4171 ( 1154 PWs) bands (ev): -11.0069 -11.0063 -1.2684 -1.2192 3.3406 3.3935 3.9343 3.9593 4.5113 4.5547 6.4502 6.6093 8.2199 8.2775 8.5064 8.7145 10.3437 10.4292 10.8172 10.9131 11.3904 11.4909 12.4340 12.9431 17.2049 17.3914 18.6552 18.6768 k = 0.1846 0.3198 0.4171 ( 1154 PWs) bands (ev): -11.0132 -11.0127 -1.2985 -1.2526 3.3861 3.4368 3.9536 3.9765 4.5290 4.5713 6.4357 6.5907 8.1767 8.2553 8.4757 8.6524 10.3230 10.4046 10.8312 10.8837 11.4241 11.5665 12.5288 13.0246 17.1092 17.2904 18.5646 18.5855 k = 0.1795 0.3109 0.4171 ( 1158 PWs) bands (ev): -11.0196 -11.0192 -1.3293 -1.2866 3.4328 3.4812 3.9742 3.9947 4.5461 4.5873 6.4240 6.5748 8.1328 8.2317 8.4453 8.5916 10.3012 10.3789 10.8317 10.8527 11.4712 11.6426 12.6230 13.1044 17.0141 17.1899 18.4722 18.4924 k = 0.1744 0.3020 0.4171 ( 1158 PWs) bands (ev): -11.0262 -11.0257 -1.3606 -1.3210 3.4807 3.5267 3.9960 4.0141 4.5629 4.6031 6.4148 6.5616 8.0885 8.2064 8.4151 8.5324 10.2786 10.3524 10.8204 10.8209 11.5295 11.7190 12.7163 13.1825 16.9197 17.0901 18.3784 18.3978 k = 0.1692 0.2931 0.4171 ( 1158 PWs) bands (ev): -11.0328 -11.0323 -1.3923 -1.3558 3.5298 3.5733 4.0191 4.0346 4.5793 4.6185 6.4082 6.5509 8.0441 8.1795 8.3850 8.4751 10.2554 10.3252 10.7869 10.8014 11.5960 11.7956 12.8084 13.2585 16.8259 16.9908 18.2833 18.3020 k = 0.1641 0.2842 0.4171 ( 1158 PWs) bands (ev): -11.0394 -11.0390 -1.4245 -1.3909 3.5799 3.6207 4.0433 4.0562 4.5952 4.6335 6.4039 6.5426 7.9998 8.1507 8.3551 8.4202 10.2316 10.2974 10.7523 10.7755 11.6686 11.8724 12.8989 13.3325 16.7326 16.8921 18.1873 18.2053 k = 0.1590 0.2754 0.4171 ( 1166 PWs) bands (ev): -11.0461 -11.0458 -1.4570 -1.4262 3.6308 3.6688 4.0686 4.0786 4.6105 4.6480 6.4020 6.5366 7.9560 8.1198 8.3252 8.3680 10.2072 10.2689 10.7169 10.7450 11.7452 11.9491 12.9876 13.4043 16.6397 16.7939 18.0906 18.1077 k = 0.1538 0.2665 0.4171 ( 1168 PWs) bands (ev): -11.0528 -11.0525 -1.4897 -1.4615 3.6826 3.7177 4.0951 4.1020 4.6254 4.6621 6.4023 6.5327 7.9128 8.0867 8.2954 8.3189 10.1825 10.2399 10.6807 10.7111 11.8247 12.0258 13.0744 13.4740 16.5473 16.6961 17.9935 18.0099 k = 0.1487 0.2576 0.4171 ( 1172 PWs) bands (ev): -11.0595 -11.0592 -1.5225 -1.4969 3.7350 3.7670 4.1227 4.1263 4.6398 4.6757 6.4045 6.5307 7.8705 8.0513 8.2658 8.2732 10.1573 10.2106 10.6440 10.6749 11.9061 12.1024 13.1589 13.5412 16.4553 16.5988 17.8963 17.9119 k = 0.1436 0.2487 0.4171 ( 1172 PWs) bands (ev): -11.0662 -11.0660 -1.5553 -1.5321 3.7880 3.8167 4.1512 4.1514 4.6538 4.6889 6.4088 6.5305 7.8293 8.0137 8.2310 8.2363 10.1319 10.1809 10.6068 10.6369 11.9888 12.1789 13.2413 13.6062 16.3639 16.5022 17.7993 17.8141 k = 0.1385 0.2398 0.4171 ( 1172 PWs) bands (ev): -11.0729 -11.0726 -1.5881 -1.5671 3.8415 3.8667 4.1773 4.1806 4.6672 4.7017 6.4148 6.5320 7.7893 7.9742 8.1921 8.2070 10.1061 10.1509 10.5693 10.5979 12.0723 12.2550 13.3211 13.6687 16.2730 16.4061 17.7027 17.7166 k = 0.1333 0.2309 0.4171 ( 1172 PWs) bands (ev): -11.0795 -11.0792 -1.6206 -1.6018 3.8951 3.9167 4.2037 4.2108 4.6802 4.7141 6.4223 6.5348 7.7507 7.9334 8.1563 8.1781 10.0801 10.1207 10.5317 10.5580 12.1561 12.3309 13.3984 13.7288 16.1825 16.3106 17.6066 17.6197 k = 0.1282 0.2221 0.4171 ( 1170 PWs) bands (ev): -11.0860 -11.0858 -1.6529 -1.6361 3.9490 3.9666 4.2307 4.2418 4.6927 4.7260 6.4313 6.5388 7.7138 7.8918 8.1231 8.1494 10.0538 10.0903 10.4941 10.5179 12.2400 12.4063 13.4730 13.7864 16.0926 16.2157 17.5115 17.5238 k = 0.1231 0.2132 0.4171 ( 1170 PWs) bands (ev): -11.0924 -11.0922 -1.6849 -1.6699 4.0027 4.0163 4.2582 4.2734 4.7048 4.7375 6.4415 6.5438 7.6786 7.8501 8.0922 8.1211 10.0274 10.0598 10.4566 10.4777 12.3237 12.4812 13.5449 13.8415 16.0033 16.1215 17.4175 17.4290 k = 0.1179 0.2043 0.4171 ( 1170 PWs) bands (ev): -11.0987 -11.0986 -1.7163 -1.7031 4.0563 4.0655 4.2859 4.3056 4.7164 4.7486 6.4526 6.5496 7.6454 7.8089 8.0630 8.0932 10.0007 10.0292 10.4195 10.4377 12.4071 12.5556 13.6139 13.8940 15.9147 16.0281 17.3249 17.3355 k = 0.1128 0.1954 0.4171 ( 1170 PWs) bands (ev): -11.1049 -11.1048 -1.7472 -1.7356 4.1094 4.1140 4.3140 4.3382 4.7275 4.7593 6.4646 6.5559 7.6142 7.7687 8.0354 8.0657 9.9740 9.9987 10.3827 10.3981 12.4899 12.6293 13.6801 13.9439 15.8268 15.9356 17.2340 17.2437 k = 0.1077 0.1865 0.4171 ( 1170 PWs) bands (ev): -11.1110 -11.1109 -1.7775 -1.7673 4.1618 4.1620 4.3421 4.3712 4.7383 4.7696 6.4771 6.5625 7.5854 7.7299 8.0090 8.0388 9.9471 9.9684 10.3466 10.3593 12.5720 12.7023 13.7433 13.9913 15.7397 15.8439 17.1449 17.1537 k = 0.1026 0.1776 0.4171 ( 1174 PWs) bands (ev): -11.1169 -11.1168 -1.8070 -1.7982 4.2086 4.2139 4.3702 4.4044 4.7487 4.7795 6.4899 6.5691 7.5589 7.6929 7.9838 8.0124 9.9202 9.9382 10.3111 10.3213 12.6533 12.7745 13.8035 14.0361 15.6534 15.7531 17.0579 17.0659 k = 0.0974 0.1688 0.4171 ( 1182 PWs) bands (ev): -11.1226 -11.1225 -1.8357 -1.8281 4.2541 4.2648 4.3982 4.4376 4.7588 4.7890 6.5028 6.5756 7.5349 7.6579 7.9595 7.9866 9.8934 9.9082 10.2765 10.2844 12.7336 12.8459 13.8608 14.0783 15.5681 15.6635 16.9733 16.9805 k = 0.0923 0.1599 0.4171 ( 1182 PWs) bands (ev): -11.1282 -11.1281 -1.8634 -1.8570 4.2983 4.3145 4.4260 4.4707 4.7686 4.7983 6.5156 6.5818 7.5135 7.6253 7.9361 7.9614 9.8666 9.8788 10.2429 10.2487 12.8130 12.9164 13.9151 14.1179 15.4840 15.5752 16.8912 16.8977 k = 0.0872 0.1510 0.4171 ( 1186 PWs) bands (ev): -11.1335 -11.1334 -1.8902 -1.8847 4.3410 4.3628 4.4533 4.5034 4.7781 4.8072 6.5280 6.5875 7.4948 7.5952 7.9136 7.9370 9.8400 9.8498 10.2103 10.2145 12.8912 12.9859 13.9663 14.1549 15.4012 15.4881 16.8120 16.8177 k = 0.0821 0.1421 0.4171 ( 1186 PWs) bands (ev): -11.1386 -11.1385 -1.9158 -1.9113 4.3820 4.4095 4.4803 4.5356 4.7875 4.8160 6.5399 6.5926 7.4787 7.5678 7.8920 7.9132 9.8138 9.8214 10.1790 10.1817 12.9683 13.0545 14.0146 14.1893 15.3197 15.4025 16.7359 16.7408 k = 0.0769 0.1332 0.4171 ( 1186 PWs) bands (ev): -11.1435 -11.1434 -1.9403 -1.9366 4.4212 4.4543 4.5066 4.5670 4.7968 4.8245 6.5509 6.5970 7.4653 7.5433 7.8712 7.8903 9.7880 9.7938 10.1491 10.1506 13.0442 13.1220 14.0598 14.2212 15.2396 15.3184 16.6630 16.6673 k = 0.0718 0.1244 0.4171 ( 1182 PWs) bands (ev): -11.1481 -11.1480 -1.9636 -1.9606 4.4584 4.4967 4.5325 4.5971 4.8062 4.8328 6.5611 6.6006 7.4545 7.5216 7.8512 7.8681 9.7627 9.7670 10.1206 10.1212 13.1188 13.1885 14.1022 14.2506 15.1612 15.2361 16.5937 16.5973 k = 0.0667 0.1155 0.4171 ( 1182 PWs) bands (ev): -11.1524 -11.1524 -1.9856 -1.9832 4.4935 4.5356 4.5586 4.6258 4.8157 4.8410 6.5701 6.6033 7.4462 7.5030 7.8320 7.8469 9.7382 9.7413 10.0936 10.0936 13.1919 13.2538 14.1414 14.2773 15.0844 15.1554 16.5281 16.5311 k = 0.0615 0.1066 0.4171 ( 1182 PWs) bands (ev): -11.1565 -11.1565 -2.0063 -2.0044 4.5264 4.5685 4.5871 4.6526 4.8255 4.8490 6.5780 6.6052 7.4402 7.4872 7.8137 7.8265 9.7146 9.7167 10.0678 10.0682 13.2636 13.3180 14.1777 14.3014 15.0096 15.0766 16.4664 16.4688 k = 0.0564 0.0977 0.4171 ( 1174 PWs) bands (ev): -11.1603 -11.1603 -2.0255 -2.0240 4.5571 4.5941 4.6189 4.6773 4.8357 4.8572 6.5847 6.6065 7.4363 7.4744 7.7964 7.8071 9.6920 9.6935 10.0440 10.0446 13.3339 13.3810 14.2109 14.3229 14.9370 15.0001 16.4088 16.4108 k = 0.0513 0.0888 0.4171 ( 1174 PWs) bands (ev): -11.1638 -11.1638 -2.0432 -2.0421 4.5853 4.6155 4.6505 4.6995 4.8464 4.8652 6.5902 6.6071 7.4342 7.4642 7.7800 7.7888 9.6707 9.6716 10.0220 10.0227 13.4025 13.4426 14.2411 14.3416 14.8666 14.9256 16.3555 16.3571 k = 0.0462 0.0799 0.4171 ( 1174 PWs) bands (ev): -11.1670 -11.1670 -2.0595 -2.0586 4.6110 4.6345 4.6797 4.7191 4.8574 4.8732 6.5944 6.6071 7.4336 7.4565 7.7645 7.7716 9.6509 9.6514 10.0021 10.0028 13.4694 13.5029 14.2680 14.3573 14.7989 14.8537 16.3068 16.3079 k = 0.0410 0.0711 0.4171 ( 1172 PWs) bands (ev): -11.1699 -11.1699 -2.0741 -2.0735 4.6340 4.6515 4.7060 4.7361 4.8688 4.8814 6.5976 6.6068 7.4344 7.4512 7.7502 7.7556 9.6326 9.6329 9.9841 9.9847 13.5344 13.5617 14.2918 14.3699 14.7345 14.7847 16.2627 16.2635 k = 0.0359 0.0622 0.4171 ( 1172 PWs) bands (ev): -11.1724 -11.1724 -2.0871 -2.0868 4.6542 4.6666 4.7289 4.7507 4.8800 4.8894 6.5999 6.6061 7.4360 7.4478 7.7370 7.7410 9.6160 9.6162 9.9682 9.9686 13.5972 13.6186 14.3119 14.3788 14.6741 14.7192 16.2234 16.2240 k = 0.0308 0.0533 0.4171 ( 1168 PWs) bands (ev): -11.1746 -11.1746 -2.0985 -2.0983 4.6716 4.6797 4.7485 4.7630 4.8909 4.8972 6.6014 6.6054 7.4383 7.4460 7.7251 7.7278 9.6014 9.6015 9.9543 9.9546 13.6576 13.6735 14.3279 14.3831 14.6194 14.6584 16.1890 16.1894 k = 0.0256 0.0444 0.4171 ( 1164 PWs) bands (ev): -11.1766 -11.1766 -2.1082 -2.1081 4.6860 4.6909 4.7645 4.7734 4.9008 4.9047 6.6022 6.6045 7.4409 7.4455 7.7146 7.7163 9.5888 9.5888 9.9425 9.9427 13.7146 13.7257 14.3390 14.3814 14.5722 14.6034 16.1598 16.1600 k = 0.0205 0.0355 0.4171 ( 1160 PWs) bands (ev): -11.1781 -11.1781 -2.1162 -2.1161 4.6976 4.7002 4.7773 4.7820 4.9094 4.9115 6.6026 6.6038 7.4435 7.4459 7.7056 7.7065 9.5783 9.5783 9.9328 9.9329 13.7672 13.7740 14.3437 14.3721 14.5355 14.5569 16.1357 16.1358 k = 0.0154 0.0266 0.4171 ( 1156 PWs) bands (ev): -11.1793 -11.1793 -2.1224 -2.1224 4.7064 4.7075 4.7869 4.7889 4.9164 4.9173 6.6027 6.6032 7.4457 7.4468 7.6984 7.6988 9.5701 9.5701 9.9252 9.9253 13.8136 13.8171 14.3408 14.3555 14.5108 14.5219 16.1168 16.1169 k = 0.0103 0.0178 0.4171 ( 1152 PWs) bands (ev): -11.1802 -11.1802 -2.1268 -2.1268 4.7124 4.7128 4.7934 4.7940 4.9215 4.9218 6.6026 6.6027 7.4475 7.4478 7.6930 7.6931 9.5642 9.5642 9.9198 9.9198 13.8511 13.8523 14.3311 14.3359 14.4965 14.5001 16.1033 16.1033 k = 0.0051 0.0089 0.4171 ( 1148 PWs) bands (ev): -11.1807 -11.1807 -2.1295 -2.1295 4.7159 4.7160 4.7971 4.7972 4.9246 4.9246 6.6024 6.6025 7.4485 7.4486 7.6897 7.6897 9.5606 9.5606 9.9165 9.9165 13.8760 13.8762 14.3199 14.3205 14.4892 14.4897 16.0952 16.0952 k = 0.0000 0.0000 0.4171 ( 1144 PWs) bands (ev): -11.1809 -11.1809 -2.1304 -2.1304 4.7172 4.7172 4.7985 4.7985 4.9256 4.9256 6.6024 6.6024 7.4489 7.4489 7.6886 7.6886 9.5595 9.5595 9.9154 9.9154 13.8847 13.8847 14.3150 14.3150 14.4869 14.4869 16.0924 16.0924 k = 0.5000 0.2887 0.4171 ( 1160 PWs) bands (ev): -10.9448 -10.9448 -0.9388 -0.9388 2.8612 2.8612 3.8907 3.8907 4.3876 4.3876 6.7599 6.7599 8.3294 8.3294 9.1874 9.1874 10.3453 10.3453 10.7441 10.7441 11.4786 11.4786 12.2451 12.2451 17.9058 17.9058 19.0308 19.0308 k = 0.5000 0.2887 0.4069 ( 1160 PWs) bands (ev): -10.9450 -10.9446 -0.9378 -0.9374 2.8584 2.8630 3.8908 3.8920 4.3775 4.3888 6.7539 6.7741 8.3231 8.3338 9.1804 9.1933 10.2928 10.3930 10.6948 10.7857 11.4564 11.5015 12.2329 12.2725 17.8768 17.9344 18.9646 19.0922 k = 0.5000 0.2887 0.3968 ( 1160 PWs) bands (ev): -10.9454 -10.9446 -0.9344 -0.9337 2.8546 2.8637 3.8925 3.8948 4.3588 4.3810 6.7563 6.7964 8.3149 8.3365 9.1724 9.1981 10.2366 10.4336 10.6411 10.8182 11.4358 11.5240 12.2372 12.3132 17.8477 17.9619 18.8963 19.1451 k = 0.5000 0.2887 0.3866 ( 1160 PWs) bands (ev): -10.9460 -10.9448 -0.9287 -0.9276 2.8497 2.8633 3.8957 3.8990 4.3320 4.3646 6.7668 6.8261 8.3048 8.3374 9.1631 9.2017 10.1774 10.4597 10.5916 10.8410 11.4177 11.5458 12.2586 12.3654 17.8187 17.9878 18.8272 19.1843 k = 0.5000 0.2887 0.3764 ( 1160 PWs) bands (ev): -10.9467 -10.9451 -0.9206 -0.9191 2.8439 2.8618 3.9005 3.9045 4.2978 4.3398 6.7851 6.8626 8.2928 8.3369 9.1526 9.2040 10.1157 10.4476 10.5710 10.8542 11.4030 11.5667 12.2964 12.4273 17.7902 18.0111 18.7585 19.2051 k = 0.5000 0.2887 0.3663 ( 1158 PWs) bands (ev): -10.9474 -10.9455 -0.9102 -0.9083 2.8371 2.8594 3.9067 3.9113 4.2567 4.3075 6.8103 6.9050 8.2791 8.3350 9.1408 9.2047 10.0522 10.3943 10.5837 10.8583 11.3920 11.5872 12.3492 12.4973 17.7621 18.0310 18.6910 19.2054 k = 0.5000 0.2887 0.3561 ( 1160 PWs) bands (ev): -10.9484 -10.9461 -0.8974 -0.8952 2.8292 2.8558 3.9145 3.9190 4.2095 4.2683 6.8417 6.9524 8.2636 8.3321 9.1274 9.2036 9.9875 10.3263 10.6042 10.8545 11.3854 11.6080 12.4149 12.5742 17.7344 18.0461 18.6256 19.1873 k = 0.5000 0.2887 0.3459 ( 1164 PWs) bands (ev): -10.9494 -10.9468 -0.8823 -0.8798 2.8204 2.8511 3.9238 3.9272 4.1570 4.2235 6.8782 7.0040 8.2467 8.3284 9.1122 9.2002 9.9222 10.2545 10.6231 10.8440 11.3834 11.6296 12.4913 12.6569 17.7069 18.0544 18.5638 19.1548 k = 0.5000 0.2887 0.3357 ( 1164 PWs) bands (ev): -10.9506 -10.9476 -0.8649 -0.8621 2.8108 2.8454 3.9345 3.9350 4.1001 4.1747 6.9189 7.0587 8.2284 8.3242 9.0952 9.1940 9.8570 10.1825 10.6380 10.8281 11.3863 11.6526 12.5763 12.7445 17.6792 18.0536 18.5077 19.1120 k = 0.5000 0.2887 0.3256 ( 1168 PWs) bands (ev): -10.9518 -10.9485 -0.8453 -0.8421 2.8002 2.8387 3.9403 3.9466 4.0393 4.1250 6.9626 7.1157 8.2090 8.3199 9.0761 9.1845 9.7925 10.1124 10.6481 10.8081 11.3943 11.6770 12.6682 12.8361 17.6509 18.0403 18.4602 19.0623 k = 0.5000 0.2887 0.3154 ( 1164 PWs) bands (ev): -10.9532 -10.9496 -0.8234 -0.8200 2.7887 2.8309 3.9371 3.9583 3.9770 4.0809 7.0082 7.1740 8.1888 8.3158 9.0546 9.1708 9.7295 10.0459 10.6535 10.7850 11.4072 11.7032 12.7655 12.9311 17.6214 18.0117 18.4239 19.0084 k = 0.5000 0.2887 0.3052 ( 1162 PWs) bands (ev): -10.9546 -10.9507 -0.7993 -0.7956 2.7764 2.8221 3.9070 3.9137 3.9765 4.0546 7.0545 7.2328 8.1680 8.3125 9.0306 9.1523 9.6686 9.9845 10.6543 10.7598 11.4249 11.7310 12.8669 13.0290 17.5900 17.9668 18.4000 18.9523 k = 0.5000 0.2887 0.2950 ( 1162 PWs) bands (ev): -10.9561 -10.9520 -0.7731 -0.7691 2.7632 2.8122 3.8381 3.8663 3.9927 4.0506 7.1004 7.2911 8.1471 8.3101 9.0038 9.1283 9.6106 9.9294 10.6509 10.7332 11.4473 11.7605 12.9715 13.1291 17.5558 17.9067 18.3870 18.8958 k = 0.5000 0.2887 0.2849 ( 1162 PWs) bands (ev): -10.9577 -10.9533 -0.7447 -0.7406 2.7492 2.8012 3.7672 3.8046 4.0104 4.0597 7.1449 7.3479 8.1263 8.3092 8.9743 9.0984 9.5561 9.8815 10.6438 10.7058 11.4739 11.7916 13.0786 13.2310 17.5180 17.8346 18.3824 18.8404 k = 0.5000 0.2887 0.2747 ( 1158 PWs) bands (ev): -10.9593 -10.9548 -0.7143 -0.7099 2.7344 2.7892 3.6949 3.7361 4.0296 4.0750 7.1867 7.4023 8.1064 8.3100 8.9423 9.0624 9.5056 9.8413 10.6336 10.6781 11.5047 11.8245 13.1875 13.3345 17.4757 17.7530 18.3834 18.7876 k = 0.5000 0.2887 0.2645 ( 1154 PWs) bands (ev): -10.9610 -10.9563 -0.6818 -0.6773 2.7187 2.7761 3.6217 3.6640 4.0499 4.0937 7.2249 7.4531 8.0878 8.3128 8.9080 9.0208 9.4596 9.8089 10.6207 10.6505 11.5394 11.8590 13.2975 13.4388 17.4280 17.6643 18.3882 18.7384 k = 0.5000 0.2887 0.2543 ( 1148 PWs) bands (ev): -10.9627 -10.9579 -0.6474 -0.6428 2.7021 2.7619 3.5479 3.5897 4.0714 4.1147 7.2587 7.4990 8.0714 8.3174 8.8721 8.9743 9.4183 9.7839 10.6057 10.6231 11.5776 11.8952 13.4081 13.5436 17.3743 17.5699 18.3955 18.6940 k = 0.5000 0.2887 0.2442 ( 1152 PWs) bands (ev): -10.9645 -10.9595 -0.6112 -0.6064 2.6846 2.7465 3.4738 3.5142 4.0941 4.1372 7.2871 7.5386 8.0581 8.3236 8.8356 8.9242 9.3817 9.7654 10.5890 10.5963 11.6194 11.9332 13.5189 13.6485 17.3139 17.4709 18.4046 18.6549 k = 0.5000 0.2887 0.2340 ( 1148 PWs) bands (ev): -10.9663 -10.9612 -0.5731 -0.5683 2.6660 2.7299 3.4000 3.4384 4.1178 4.1612 7.3098 7.5704 8.0490 8.3306 8.7997 8.8717 9.3498 9.7525 10.5701 10.5709 11.6645 11.9730 13.6295 13.7534 17.2467 17.3682 18.4149 18.6216 k = 0.5000 0.2887 0.2238 ( 1148 PWs) bands (ev): -10.9681 -10.9630 -0.5333 -0.5285 2.6463 2.7117 3.3269 3.3627 4.1424 4.1862 7.3264 7.5931 8.0448 8.3372 8.7662 8.8184 9.3227 9.7443 10.5449 10.5518 11.7130 12.0147 13.7396 13.8577 17.1727 17.2623 18.4260 18.5941 k = 0.5000 0.2887 0.2136 ( 1150 PWs) bands (ev): -10.9699 -10.9648 -0.4918 -0.4870 2.6252 2.6919 3.2548 3.2878 4.1679 4.2121 7.3368 7.6059 8.0458 8.3417 8.7367 8.7656 9.3002 9.7397 10.5205 10.5321 11.7648 12.0583 13.8487 13.9611 17.0921 17.1537 18.4377 18.5723 k = 0.5000 0.2887 0.2035 ( 1150 PWs) bands (ev): -10.9717 -10.9665 -0.4489 -0.4441 2.6025 2.6701 3.1845 3.2144 4.1942 4.2388 7.3413 7.6087 8.0515 8.3422 8.7130 8.7147 9.2825 9.7380 10.4972 10.5119 11.8198 12.1040 13.9565 14.0634 17.0056 17.0431 18.4499 18.5558 k = 0.5000 0.2887 0.1933 ( 1158 PWs) bands (ev): -10.9735 -10.9684 -0.4045 -0.3999 2.5778 2.6459 3.1163 3.1432 4.2211 4.2661 7.3402 7.6024 8.0605 8.3371 8.6669 8.6963 9.2697 9.7383 10.4750 10.4916 11.8779 12.1515 14.0627 14.1641 16.9136 16.9308 18.4622 18.5440 k = 0.5000 0.2887 0.1831 ( 1158 PWs) bands (ev): -10.9752 -10.9702 -0.3589 -0.3543 2.5507 2.6187 3.0513 3.0753 4.2486 4.2938 7.3341 7.5885 8.0708 8.3257 8.6235 8.6865 9.2619 9.7402 10.4538 10.4713 11.9391 12.2012 14.1669 14.2628 16.8171 16.8174 18.4747 18.5364 k = 0.5000 0.2887 0.1730 ( 1158 PWs) bands (ev): -10.9769 -10.9719 -0.3122 -0.3077 2.5206 2.5878 2.9901 3.0116 4.2765 4.3218 7.3234 7.5682 8.0806 8.3087 8.5857 8.6826 9.2593 9.7430 10.4339 10.4513 12.0033 12.2528 14.2687 14.3593 16.7032 16.7168 18.4870 18.5323 k = 0.5000 0.2887 0.1628 ( 1162 PWs) bands (ev): -10.9785 -10.9737 -0.2645 -0.2602 2.4870 2.5525 2.9335 2.9532 4.3046 4.3498 7.3090 7.5429 8.0880 8.2875 8.5542 8.6822 9.2622 9.7463 10.4151 10.4318 12.0702 12.3064 14.3679 14.4532 16.5888 16.6135 18.4992 18.5311 k = 0.5000 0.2887 0.1526 ( 1162 PWs) bands (ev): -10.9801 -10.9754 -0.2160 -0.2120 2.4495 2.5123 2.8823 2.9008 4.3328 4.3778 7.2914 7.5138 8.0920 8.2637 8.5298 8.6834 9.2704 9.7496 10.3974 10.4128 12.1397 12.3617 14.4639 14.5440 16.4745 16.5079 18.5110 18.5323 k = 0.5000 0.2887 0.1424 ( 1160 PWs) bands (ev): -10.9816 -10.9771 -0.1671 -0.1633 2.4081 2.4672 2.8370 2.8549 4.3611 4.4054 7.2714 7.4817 8.0920 8.2388 8.5125 8.6844 9.2837 9.7526 10.3810 10.3947 12.2114 12.4187 14.5565 14.6314 16.3610 16.4010 18.5225 18.5354 k = 0.5000 0.2887 0.1323 ( 1160 PWs) bands (ev): -10.9831 -10.9787 -0.1179 -0.1144 2.3628 2.4175 2.7976 2.8156 4.3890 4.4326 7.2496 7.4474 8.0883 8.2139 8.5018 8.6841 9.3016 9.7549 10.3657 10.3774 12.2850 12.4771 14.6453 14.7150 16.2488 16.2934 18.5334 18.5398 k = 0.5000 0.2887 0.1221 ( 1160 PWs) bands (ev): -10.9844 -10.9803 -0.0687 -0.0655 2.3144 2.3641 2.7639 2.7821 4.4165 4.4589 7.2268 7.4116 8.0817 8.1898 8.4967 8.6820 9.3233 9.7563 10.3516 10.3612 12.3600 12.5366 14.7298 14.7943 16.1385 16.1861 18.5437 18.5452 k = 0.5000 0.2887 0.1119 ( 1158 PWs) bands (ev): -10.9856 -10.9818 -0.0199 -0.0170 2.2638 2.3085 2.7355 2.7539 4.4434 4.4843 7.2035 7.3750 8.0731 8.1668 8.4960 8.6780 9.3482 9.7565 10.3386 10.3462 12.4358 12.5967 14.8098 14.8691 16.0308 16.0799 18.5513 18.5533 k = 0.5000 0.2887 0.1017 ( 1150 PWs) bands (ev): -10.9867 -10.9832 0.0281 0.0306 2.2122 2.2519 2.7116 2.7299 4.4694 4.5084 7.1805 7.3383 8.0636 8.1454 8.4987 8.6724 9.3752 9.7553 10.3268 10.3324 12.5118 12.6569 14.8850 14.9390 15.9266 15.9757 18.5577 18.5622 k = 0.5000 0.2887 0.0916 ( 1150 PWs) bands (ev): -10.9878 -10.9845 0.0748 0.0769 2.1606 2.1956 2.6916 2.7094 4.4943 4.5310 7.1583 7.3019 8.0541 8.1257 8.5036 8.6653 9.4038 9.7525 10.3161 10.3199 12.5871 12.7164 14.9545 15.0033 15.8265 15.8746 18.5642 18.5702 k = 0.5000 0.2887 0.0814 ( 1152 PWs) bands (ev): -10.9887 -10.9857 0.1196 0.1214 2.1102 2.1407 2.6749 2.6919 4.5178 4.5519 7.1376 7.2666 8.0451 8.1076 8.5101 8.6572 9.4331 9.7480 10.3065 10.3087 12.6608 12.7745 15.0182 15.0618 15.7317 15.7776 18.5706 18.5774 k = 0.5000 0.2887 0.0712 ( 1152 PWs) bands (ev): -10.9895 -10.9869 0.1620 0.1634 2.0623 2.0885 2.6612 2.6769 4.5397 4.5707 7.1189 7.2329 8.0372 8.0914 8.5175 8.6482 9.4625 9.7416 10.2980 10.2990 12.7317 12.8300 15.0758 15.1141 15.6434 15.6860 18.5767 18.5837 k = 0.5000 0.2887 0.0610 ( 1152 PWs) bands (ev): -10.9902 -10.9879 0.2012 0.2023 2.0179 2.0401 2.6500 2.6642 4.5597 4.5872 7.1027 7.2014 8.0306 8.0768 8.5256 8.6387 9.4916 9.7334 10.2906 10.2907 12.7986 12.8819 15.1269 15.1598 15.5627 15.6013 18.5824 18.5891 k = 0.5000 0.2887 0.0509 ( 1152 PWs) bands (ev): -10.9907 -10.9888 0.2364 0.2373 1.9781 1.9964 2.6412 2.6534 4.5775 4.6012 7.0896 7.1724 8.0256 8.0640 8.5340 8.6288 9.5201 9.7232 10.2838 10.2843 12.8601 12.9287 15.1712 15.1986 15.4913 15.5248 18.5875 18.5936 k = 0.5000 0.2887 0.0407 ( 1152 PWs) bands (ev): -10.9911 -10.9896 0.2668 0.2674 1.9441 1.9586 2.6344 2.6445 4.5931 4.6125 7.0798 7.1465 8.0221 8.0529 8.5428 8.6189 9.5475 9.7110 10.2783 10.2791 12.9146 12.9689 15.2083 15.2302 15.4306 15.4583 18.5919 18.5972 k = 0.5000 0.2887 0.0305 ( 1148 PWs) bands (ev): -10.9914 -10.9902 0.2916 0.2920 1.9167 1.9275 2.6296 2.6374 4.6060 4.6208 7.0738 7.1241 8.0203 8.0434 8.5517 8.6089 9.5737 9.6969 10.2741 10.2750 12.9606 13.0009 15.2382 15.2546 15.3822 15.4035 18.5957 18.5998 k = 0.5000 0.2887 0.0203 ( 1152 PWs) bands (ev): -10.9915 -10.9907 0.3100 0.3102 1.8969 1.9041 2.6266 2.6319 4.6161 4.6261 7.0717 7.1054 8.0201 8.0355 8.5608 8.5990 9.5985 9.6809 10.2712 10.2719 12.9966 13.0233 15.2603 15.2710 15.3475 15.3619 18.5986 18.6014 k = 0.5000 0.2887 0.0102 ( 1152 PWs) bands (ev): -10.9915 -10.9911 0.3213 0.3214 1.8854 1.8890 2.6254 2.6281 4.6233 4.6283 7.0738 7.0906 8.0215 8.0292 8.5701 8.5892 9.6217 9.6630 10.2696 10.2700 13.0214 13.0347 15.2745 15.2797 15.3279 15.3350 18.6007 18.6021 k = 0.5000 0.2887-0.0000 ( 1150 PWs) bands (ev): -10.9914 -10.9914 0.3252 0.3252 1.8827 1.8827 2.6259 2.6259 4.6275 4.6275 7.0801 7.0801 8.0246 8.0246 8.5796 8.5796 9.6432 9.6432 10.2692 10.2692 13.0342 13.0342 15.2810 15.2810 15.3237 15.3237 18.6018 18.6018 k = 0.3333 0.5774-0.0000 ( 1182 PWs) bands (ev): -10.9520 -10.9373 0.3110 0.3608 2.3632 2.4329 2.7855 2.7916 3.4888 3.6322 6.2254 6.6231 7.6585 8.6613 8.7564 9.0891 10.2924 10.6999 11.0816 11.3340 11.6301 11.6471 15.4262 15.7030 15.8294 15.8390 17.7042 18.1601 k = 0.3333 0.5774 0.0102 ( 1188 PWs) bands (ev): -10.9520 -10.9373 0.3080 0.3580 2.3668 2.4364 2.7868 2.7928 3.4872 3.6305 6.2285 6.6261 7.6590 8.6615 8.7567 9.0895 10.2910 10.6998 11.0830 11.3336 11.6239 11.6413 15.4163 15.6944 15.8360 15.8456 17.7130 18.1673 k = 0.3333 0.5774 0.0203 ( 1179 PWs) bands (ev): -10.9518 -10.9372 0.2992 0.3499 2.3777 2.4471 2.7906 2.7966 3.4824 3.6254 6.2377 6.6352 7.6608 8.6620 8.7578 9.0909 10.2869 10.6995 11.0869 11.3326 11.6053 11.6241 15.3873 15.6691 15.8557 15.8653 17.7390 18.1887 k = 0.3333 0.5774 0.0305 ( 1179 PWs) bands (ev): -10.9515 -10.9370 0.2848 0.3364 2.3955 2.4645 2.7967 2.8028 3.4743 3.6168 6.2529 6.6501 7.6637 8.6629 8.7594 9.0931 10.2801 10.6989 11.0935 11.3304 11.5748 11.5964 15.3404 15.6280 15.8881 15.8976 17.7808 18.2234 k = 0.3333 0.5774 0.0407 ( 1179 PWs) bands (ev): -10.9511 -10.9368 0.2650 0.3181 2.4198 2.4883 2.8054 2.8113 3.4632 3.6050 6.2739 6.6706 7.6680 8.6641 8.7617 9.0962 10.2708 10.6982 11.1024 11.3262 11.5331 11.5596 15.2774 15.5722 15.9325 15.9420 17.8366 18.2700 k = 0.3333 0.5774 0.0509 ( 1179 PWs) bands (ev): -10.9506 -10.9365 0.2405 0.2952 2.4503 2.5182 2.8164 2.8223 3.4492 3.5901 6.3007 6.6965 7.6736 8.6656 8.7646 9.1001 10.2592 10.6973 11.1134 11.3181 11.4810 11.5164 15.2004 15.5035 15.9882 15.9976 17.9042 18.3271 k = 0.3333 0.5774 0.0610 ( 1179 PWs) bands (ev): -10.9501 -10.9361 0.2116 0.2683 2.4864 2.5537 2.8299 2.8357 3.4326 3.5725 6.3329 6.7274 7.6807 8.6675 8.7681 9.1048 10.2455 10.6962 11.1265 11.3021 11.4194 11.4720 15.1117 15.4233 16.0541 16.0635 17.9816 18.3930 k = 0.3333 0.5774 0.0712 ( 1179 PWs) bands (ev): -10.9494 -10.9356 0.1790 0.2378 2.5274 2.5942 2.8457 2.8514 3.4136 3.5522 6.3702 6.7629 7.6895 8.6697 8.7721 9.1102 10.2300 10.6948 11.1413 11.2709 11.3494 11.4345 15.0130 15.3334 16.1294 16.1387 18.0668 18.4661 k = 0.3333 0.5774 0.0814 ( 1173 PWs) bands (ev): -10.9486 -10.9351 0.1431 0.2043 2.5728 2.6391 2.8639 2.8695 3.3924 3.5297 6.4124 6.8024 7.7003 8.6723 8.7765 9.1164 10.2130 10.6932 11.1576 11.2193 11.2721 11.4103 14.9062 15.2350 16.2130 16.2224 18.1581 18.5452 k = 0.3333 0.5774 0.0916 ( 1173 PWs) bands (ev): -10.9477 -10.9345 0.1046 0.1683 2.6220 2.6878 2.8843 2.8898 3.3693 3.5052 6.4591 6.8453 7.7132 8.6752 8.7813 9.1231 10.1945 10.6913 11.1503 11.1752 11.1886 11.3975 14.7926 15.1295 16.3038 16.3132 18.2539 18.6288 k = 0.3333 0.5774 0.1017 ( 1179 PWs) bands (ev): -10.9467 -10.9339 0.0640 0.1302 2.6743 2.7399 2.9070 2.9123 3.3446 3.4789 6.5100 6.8909 7.7287 8.6785 8.7865 9.1304 10.1750 10.6887 11.0702 11.0999 11.1939 11.3911 14.6735 15.0178 16.4009 16.4104 18.3531 18.7160 k = 0.3333 0.5774 0.1119 ( 1173 PWs) bands (ev): -10.9457 -10.9332 0.0216 0.0906 2.7295 2.7948 2.9319 2.9370 3.3186 3.4512 6.5647 6.9386 7.7472 8.6820 8.7918 9.1381 10.1546 10.6850 10.9837 11.0072 11.2134 11.3881 14.5500 14.9012 16.5035 16.5130 18.4549 18.8058 k = 0.3333 0.5774 0.1221 ( 1173 PWs) bands (ev): -10.9446 -10.9325 -0.0219 0.0497 2.7867 2.8520 2.9588 2.9638 3.2915 3.4225 6.6229 6.9874 7.7693 8.6859 8.7972 9.1461 10.1335 10.6787 10.8947 10.9114 11.2336 11.3868 14.4227 14.7802 16.6105 16.6202 18.5581 18.8975 k = 0.3333 0.5774 0.1323 ( 1173 PWs) bands (ev): -10.9434 -10.9317 -0.0663 0.0080 2.8455 2.9109 2.9878 2.9925 3.2635 3.3929 6.6843 7.0365 7.7955 8.6900 8.8024 9.1543 10.1119 10.6644 10.8101 10.8134 11.2543 11.3864 14.2924 14.6555 16.7214 16.7313 18.6622 18.9903 k = 0.3333 0.5774 0.1424 ( 1167 PWs) bands (ev): -10.9422 -10.9309 -0.1112 -0.0341 2.9056 2.9711 3.0188 3.0232 3.2350 3.3629 6.7484 7.0848 7.8265 8.6943 8.8074 9.1625 10.0899 10.6255 10.7142 10.7482 11.2754 11.3866 14.1596 14.5277 16.8355 16.8455 18.7666 19.0839 k = 0.3333 0.5774 0.1526 ( 1167 PWs) bands (ev): -10.9409 -10.9301 -0.1563 -0.0764 2.9664 3.0320 3.0518 3.0557 3.2061 3.3329 6.8150 7.1314 7.8630 8.6988 8.8119 9.1706 10.0678 10.5501 10.6149 10.7215 11.2967 11.3870 14.0249 14.3973 16.9520 16.9623 18.8708 19.1777 k = 0.3333 0.5774 0.1628 ( 1167 PWs) bands (ev): -10.9395 -10.9292 -0.2012 -0.1186 3.0275 3.0866 3.0898 3.0925 3.1770 3.3036 6.8836 7.1755 7.9055 8.7034 8.8156 9.1783 10.0458 10.4577 10.5163 10.7119 11.3181 11.3875 13.8886 14.2648 17.0704 17.0810 18.9745 19.2714 k = 0.3333 0.5774 0.1730 ( 1155 PWs) bands (ev): -10.9381 -10.9283 -0.2458 -0.1605 3.0882 3.1237 3.1247 3.1489 3.1504 3.2774 6.9540 7.2164 7.9546 8.7078 8.8183 9.1854 10.0239 10.3608 10.4197 10.7078 11.3395 11.3879 13.7511 14.1305 17.1906 17.2015 19.0776 19.3649 k = 0.3333 0.5774 0.1831 ( 1155 PWs) bands (ev): -10.9367 -10.9274 -0.2898 -0.2019 3.1180 3.1458 3.1640 3.1650 3.1928 3.2670 7.0256 7.2535 8.0102 8.7119 8.8194 9.1915 10.0024 10.2634 10.3260 10.7058 11.3607 11.3883 13.6126 13.9946 17.3116 17.3229 19.1792 19.4574 k = 0.3333 0.5774 0.1933 ( 1155 PWs) bands (ev): -10.9353 -10.9265 -0.3330 -0.2425 3.0898 3.1899 3.1935 3.2022 3.2171 3.3018 7.0981 7.2867 8.0724 8.7154 8.8185 9.1965 9.9814 10.1675 10.2364 10.7051 11.3817 11.3884 13.4735 13.8575 17.4331 17.4449 19.2794 19.5490 k = 0.3333 0.5774 0.2035 ( 1155 PWs) bands (ev): -10.9338 -10.9255 -0.3752 -0.2822 3.0617 3.1660 3.2354 3.2419 3.2753 3.3575 7.1711 7.3161 8.1408 8.7178 8.8152 9.1999 9.9610 10.0746 10.1523 10.7051 11.3884 11.4023 13.3339 13.7195 17.5549 17.5672 19.3778 19.6396 k = 0.3333 0.5774 0.2136 ( 1155 PWs) bands (ev): -10.9324 -10.9246 -0.4163 -0.3208 3.0342 3.1388 3.2771 3.2827 3.3338 3.4165 7.2441 7.3418 8.2149 8.7186 8.8087 9.2017 9.9416 9.9858 10.0751 10.7056 11.3881 11.4225 13.1940 13.5807 17.6766 17.6895 19.4745 19.7289 k = 0.3333 0.5774 0.2238 ( 1155 PWs) bands (ev): -10.9309 -10.9237 -0.4561 -0.3582 3.0075 3.1111 3.3192 3.3242 3.3913 3.4755 7.3166 7.3643 8.2941 8.7169 8.7984 9.2016 9.9024 9.9233 10.0065 10.7066 11.3875 11.4422 13.0542 13.4415 17.7979 17.8116 19.5690 19.8169 k = 0.3333 0.5774 0.2340 ( 1155 PWs) bands (ev): -10.9295 -10.9227 -0.4945 -0.3943 2.9815 3.0838 3.3618 3.3664 3.4474 3.5337 7.3839 7.3883 8.3775 8.7117 8.7835 9.1999 9.8255 9.9063 9.9476 10.7079 11.3866 11.4612 12.9145 13.3020 17.9187 17.9332 19.6614 19.9033 k = 0.3333 0.5774 0.2442 ( 1155 PWs) bands (ev): -10.9281 -10.9218 -0.5313 -0.4289 2.9565 3.0573 3.4047 3.4090 3.5018 3.5905 7.4010 7.4586 8.4644 8.7020 8.7635 9.1975 9.7561 9.8910 9.8998 10.7095 11.3854 11.4794 12.7751 13.1624 18.0386 18.0541 19.7513 19.9883 k = 0.3333 0.5774 0.2543 ( 1155 PWs) bands (ev): -10.9267 -10.9209 -0.5666 -0.4620 2.9326 3.0318 3.4477 3.4517 3.5543 3.6456 7.4159 7.5269 8.5540 8.6864 8.7378 9.1953 9.6949 9.8636 9.8777 10.7114 11.3840 11.4968 12.6362 13.0230 18.1575 18.1741 19.8386 20.0716 k = 0.3333 0.5774 0.2645 ( 1140 PWs) bands (ev): -10.9253 -10.9200 -0.6001 -0.4935 2.9097 3.0074 3.4905 3.4943 3.6049 3.6989 7.4290 7.5928 8.6453 8.6642 8.7064 9.1950 9.6425 9.8393 9.8670 10.7135 11.3823 11.5132 12.4980 12.8841 18.2753 18.2932 19.9233 20.1533 k = 0.3333 0.5774 0.2747 ( 1134 PWs) bands (ev): -10.9240 -10.9191 -0.6318 -0.5233 2.8881 2.9842 3.5331 3.5366 3.6529 3.7497 7.4406 7.6558 8.6350 8.6694 8.7375 9.1977 9.5989 9.8263 9.8594 10.7158 11.3804 11.5284 12.3605 12.7458 18.3917 18.4112 20.0049 20.2333 k = 0.3333 0.5774 0.2849 ( 1140 PWs) bands (ev): -10.9227 -10.9183 -0.6616 -0.5513 2.8677 2.9623 3.5748 3.5781 3.6983 3.7980 7.4508 7.7153 8.5993 8.6277 8.8292 9.2043 9.5636 9.8240 9.8557 10.7181 11.3782 11.5422 12.2240 12.6086 18.5064 18.5277 20.0830 20.3114 k = 0.3333 0.5774 0.2950 ( 1140 PWs) bands (ev): -10.9215 -10.9176 -0.6894 -0.5774 2.8486 2.9417 3.6155 3.6185 3.7411 3.8437 7.4599 7.7709 8.5584 8.5823 8.9192 9.2148 9.5359 9.8318 9.8569 10.7206 11.3758 11.5542 12.0886 12.4730 18.6195 18.6429 20.1573 20.3877 k = 0.3333 0.5774 0.3052 ( 1140 PWs) bands (ev): -10.9204 -10.9168 -0.7153 -0.6017 2.8308 2.9226 3.6548 3.6576 3.7810 3.8865 7.4678 7.8223 8.5138 8.5346 9.0058 9.2289 9.5147 9.8491 9.8646 10.7231 11.3734 11.5641 11.9546 12.3396 18.7307 18.7566 20.2272 20.4621 k = 0.3333 0.5774 0.3154 ( 1140 PWs) bands (ev): -10.9194 -10.9162 -0.7391 -0.6240 2.8144 2.9050 3.6924 3.6950 3.8179 3.9263 7.4749 7.8692 8.4673 8.4859 9.0870 9.2455 9.4990 9.8755 9.8802 10.7255 11.3709 11.5708 11.8220 12.2095 18.8400 18.8688 20.2915 20.5345 k = 0.3333 0.5774 0.3256 ( 1140 PWs) bands (ev): -10.9184 -10.9155 -0.7607 -0.6443 2.7995 2.8889 3.7279 3.7304 3.8518 3.9628 7.4811 7.9114 8.4205 8.4377 9.1604 9.2636 9.4878 9.9058 9.9107 10.7280 11.3683 11.5728 11.6911 12.0846 18.9470 18.9793 20.3486 20.6048 k = 0.3333 0.5774 0.3357 ( 1143 PWs) bands (ev): -10.9175 -10.9150 -0.7802 -0.6626 2.7860 2.8744 3.7610 3.7633 3.8824 3.9960 7.4865 7.9488 8.3750 8.3912 9.2241 9.2820 9.4800 9.9429 9.9546 10.7303 11.3658 11.5622 11.5668 11.9686 19.0515 19.0880 20.3957 20.6574 k = 0.3333 0.5774 0.3459 ( 1149 PWs) bands (ev): -10.9167 -10.9145 -0.7975 -0.6788 2.7740 2.8615 3.7911 3.7933 3.9096 4.0255 7.4912 7.9816 8.3319 8.3475 9.2766 9.2997 9.4748 9.9923 10.0069 10.7324 11.3635 11.4354 11.5462 11.8686 19.1531 19.1947 20.4283 20.5818 k = 0.3333 0.5774 0.3561 ( 1143 PWs) bands (ev): -10.9160 -10.9140 -0.8125 -0.6929 2.7637 2.8503 3.8183 3.8203 3.9335 4.0516 7.4952 8.0097 8.2924 8.3078 9.3161 9.3177 9.4715 10.0535 10.0672 10.7344 11.3114 11.3613 11.5013 11.7953 19.2512 19.2989 20.4402 20.5079 k = 0.3333 0.5774 0.3663 ( 1143 PWs) bands (ev): -10.9154 -10.9136 -0.8253 -0.7049 2.7548 2.8408 3.8419 3.8438 3.9538 4.0737 7.4985 8.0333 8.2574 8.2727 9.3304 9.3484 9.4696 10.1240 10.1348 10.7361 11.1904 11.3593 11.4291 11.7527 19.3449 19.4000 20.4263 20.4361 k = 0.3333 0.5774 0.3764 ( 1146 PWs) bands (ev): -10.9149 -10.9133 -0.8358 -0.7148 2.7476 2.8329 3.8616 3.8634 3.9704 4.0919 7.5013 8.0525 8.2276 8.2431 9.3424 9.3703 9.4686 10.2002 10.2088 10.7376 11.0734 11.3407 11.3576 11.7319 19.4327 19.4968 20.3671 20.3875 k = 0.3333 0.5774 0.3866 ( 1146 PWs) bands (ev): -10.9145 -10.9131 -0.8439 -0.7224 2.7419 2.8268 3.8774 3.8791 3.9834 4.1061 7.5033 8.0675 8.2034 8.2194 9.3518 9.3853 9.4681 10.2766 10.2874 10.7388 10.9615 11.2501 11.3562 11.7222 19.5119 19.5868 20.3029 20.3325 k = 0.3333 0.5774 0.3968 ( 1146 PWs) bands (ev): -10.9143 -10.9129 -0.8498 -0.7279 2.7378 2.8224 3.8887 3.8904 3.9928 4.1163 7.5048 8.0785 8.1856 8.2022 9.3586 9.3950 9.4680 10.3458 10.3674 10.7397 10.8582 11.1695 11.3552 11.7179 19.5779 19.6654 20.2479 20.2739 k = 0.3333 0.5774 0.4069 ( 1146 PWs) bands (ev): -10.9141 -10.9128 -0.8533 -0.7312 2.7354 2.8198 3.8956 3.8973 3.9984 4.1225 7.5057 8.0853 8.1745 8.1918 9.3626 9.4003 9.4680 10.3966 10.4391 10.7402 10.7725 11.1116 11.3546 11.7160 19.6236 19.7230 20.2089 20.2264 k = 0.3333 0.5774 0.4171 ( 1146 PWs) bands (ev): -10.9140 -10.9127 -0.8545 -0.7323 2.7346 2.8189 3.8979 3.8996 4.0002 4.1246 7.5060 8.0876 8.1707 8.1883 9.3640 9.4020 9.4680 10.4158 10.4735 10.7335 10.7404 11.0900 11.3544 11.7155 19.6403 19.7452 20.1944 20.2074 Writing output data file PtN2.save init_run : 4.37s CPU 13.01s WALL ( 1 calls) electrons : 213.29s CPU 218.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.46s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 213.28s CPU 218.15s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.89s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.12s CPU 0.55s WALL ( 1 calls) newd : 0.30s CPU 0.52s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 442 calls) cegterg : 178.19s CPU 179.54s WALL ( 673 calls) Called by sum_band: Called by *egterg: h_psi : 86.29s CPU 92.03s WALL ( 11563 calls) s_psi : 6.10s CPU 6.71s WALL ( 11563 calls) g_psi : 0.10s CPU 0.18s WALL ( 10448 calls) cdiaghg : 62.87s CPU 60.95s WALL ( 10890 calls) cegterg:over : 15.01s CPU 12.92s WALL ( 10448 calls) cegterg:upda : 0.76s CPU 1.90s WALL ( 10448 calls) cegterg:last : 0.92s CPU 1.62s WALL ( 2366 calls) Called by h_psi: h_psi:vloc : 73.37s CPU 78.56s WALL ( 11563 calls) h_psi:vnl : 12.89s CPU 13.30s WALL ( 11563 calls) add_vuspsi : 2.55s CPU 4.71s WALL ( 11563 calls) General routines calbec : 10.31s CPU 8.51s WALL ( 11563 calls) fft : 0.39s CPU 1.50s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 69.73s CPU 73.37s WALL ( 797848 calls) interpolate : 0.11s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 2.61s WALL ( 884 calls) Parallel routines fft_scatter : 53.76s CPU 54.40s WALL ( 797871 calls) PWSCF : 4m19.70s CPU 6m44.83s WALL This run was terminated on: 17:37:47 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=