Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31: 1 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: ./HfN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 10 3 477 211 37 Max 18 11 4 484 231 42 Sum 847 511 163 23063 10705 1859 bravais-lattice index = 14 lattice parameter (alat) = 6.1773 a.u. unit-cell volume = 237.5173 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.177306 celldm(2)= 1.000000 celldm(3)= 1.163502 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 1.163502 ) 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 0.859474 ) PseudoPot. # 1 for Hf read from file: /home/autes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Hf 12.00 178.49000 Hf( 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= 443 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022573 k( 2) = ( 0.0089286 0.0051549 -0.0000000), wk = 0.0022573 k( 3) = ( 0.0178571 0.0103098 -0.0000000), wk = 0.0022573 k( 4) = ( 0.0267857 0.0154647 -0.0000000), wk = 0.0022573 k( 5) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0022573 k( 6) = ( 0.0446429 0.0257746 -0.0000000), wk = 0.0022573 k( 7) = ( 0.0535714 0.0309295 -0.0000000), wk = 0.0022573 k( 8) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0022573 k( 9) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0022573 k( 10) = ( 0.0803571 0.0463942 -0.0000000), wk = 0.0022573 k( 11) = ( 0.0892857 0.0515491 -0.0000000), wk = 0.0022573 k( 12) = ( 0.0982143 0.0567040 -0.0000000), wk = 0.0022573 k( 13) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0022573 k( 14) = ( 0.1160714 0.0670139 -0.0000000), wk = 0.0022573 k( 15) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0022573 k( 16) = ( 0.1339286 0.0773237 -0.0000000), wk = 0.0022573 k( 17) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0022573 k( 18) = ( 0.1517857 0.0876335 -0.0000000), wk = 0.0022573 k( 19) = ( 0.1607143 0.0927884 -0.0000000), wk = 0.0022573 k( 20) = ( 0.1696429 0.0979434 -0.0000000), wk = 0.0022573 k( 21) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0022573 k( 22) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0022573 k( 23) = ( 0.1964286 0.1134081 -0.0000000), wk = 0.0022573 k( 24) = ( 0.2053571 0.1185630 -0.0000000), wk = 0.0022573 k( 25) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0022573 k( 26) = ( 0.2232143 0.1288728 -0.0000000), wk = 0.0022573 k( 27) = ( 0.2321429 0.1340277 -0.0000000), wk = 0.0022573 k( 28) = ( 0.2410714 0.1391827 -0.0000000), wk = 0.0022573 k( 29) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0022573 k( 30) = ( 0.2589286 0.1494925 -0.0000000), wk = 0.0022573 k( 31) = ( 0.2678571 0.1546474 -0.0000000), wk = 0.0022573 k( 32) = ( 0.2767857 0.1598023 -0.0000000), wk = 0.0022573 k( 33) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0022573 k( 34) = ( 0.2946429 0.1701121 -0.0000000), wk = 0.0022573 k( 35) = ( 0.3035714 0.1752670 -0.0000000), wk = 0.0022573 k( 36) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0022573 k( 37) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0022573 k( 38) = ( 0.3303571 0.1907318 -0.0000000), wk = 0.0022573 k( 39) = ( 0.3392857 0.1958867 -0.0000000), wk = 0.0022573 k( 40) = ( 0.3482143 0.2010416 -0.0000000), wk = 0.0022573 k( 41) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0022573 k( 42) = ( 0.3660714 0.2113514 -0.0000000), wk = 0.0022573 k( 43) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0022573 k( 44) = ( 0.3839286 0.2216613 -0.0000000), wk = 0.0022573 k( 45) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0022573 k( 46) = ( 0.4017857 0.2319711 -0.0000000), wk = 0.0022573 k( 47) = ( 0.4107143 0.2371260 -0.0000000), wk = 0.0022573 k( 48) = ( 0.4196429 0.2422809 -0.0000000), wk = 0.0022573 k( 49) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0022573 k( 50) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0022573 k( 51) = ( 0.4464286 0.2577457 -0.0000000), wk = 0.0022573 k( 52) = ( 0.4553571 0.2629006 -0.0000000), wk = 0.0022573 k( 53) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0022573 k( 54) = ( 0.4732143 0.2732104 -0.0000000), wk = 0.0022573 k( 55) = ( 0.4821429 0.2783653 -0.0000000), wk = 0.0022573 k( 56) = ( 0.4910714 0.2835202 -0.0000000), wk = 0.0022573 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022573 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022573 k( 59) = ( 0.4949495 0.2974229 -0.0000000), wk = 0.0022573 k( 60) = ( 0.4898990 0.3061706 -0.0000000), wk = 0.0022573 k( 61) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0022573 k( 62) = ( 0.4797980 0.3236661 -0.0000000), wk = 0.0022573 k( 63) = ( 0.4747475 0.3324138 -0.0000000), wk = 0.0022573 k( 64) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0022573 k( 65) = ( 0.4646465 0.3499093 -0.0000000), wk = 0.0022573 k( 66) = ( 0.4595960 0.3586570 -0.0000000), wk = 0.0022573 k( 67) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0022573 k( 68) = ( 0.4494950 0.3761524 -0.0000000), wk = 0.0022573 k( 69) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0022573 k( 70) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0022573 k( 71) = ( 0.4343434 0.4023956 -0.0000000), wk = 0.0022573 k( 72) = ( 0.4292929 0.4111434 -0.0000000), wk = 0.0022573 k( 73) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0022573 k( 74) = ( 0.4191919 0.4286388 -0.0000000), wk = 0.0022573 k( 75) = ( 0.4141414 0.4373866 -0.0000000), wk = 0.0022573 k( 76) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0022573 k( 77) = ( 0.4040404 0.4548820 -0.0000000), wk = 0.0022573 k( 78) = ( 0.3989899 0.4636298 -0.0000000), wk = 0.0022573 k( 79) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0022573 k( 80) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0022573 k( 81) = ( 0.3838384 0.4898730 -0.0000000), wk = 0.0022573 k( 82) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0022573 k( 83) = ( 0.3737374 0.5073684 -0.0000000), wk = 0.0022573 k( 84) = ( 0.3686869 0.5161161 -0.0000000), wk = 0.0022573 k( 85) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0022573 k( 86) = ( 0.3585859 0.5336116 -0.0000000), wk = 0.0022573 k( 87) = ( 0.3535354 0.5423593 -0.0000000), wk = 0.0022573 k( 88) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0022573 k( 89) = ( 0.3434343 0.5598548 -0.0000000), wk = 0.0022573 k( 90) = ( 0.3383838 0.5686025 -0.0000000), wk = 0.0022573 k( 91) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022573 k( 92) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022573 k( 93) = ( 0.3282051 0.5684680 -0.0000000), wk = 0.0022573 k( 94) = ( 0.3230769 0.5595856 -0.0000000), wk = 0.0022573 k( 95) = ( 0.3179487 0.5507033 -0.0000000), wk = 0.0022573 k( 96) = ( 0.3128205 0.5418210 -0.0000000), wk = 0.0022573 k( 97) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0022573 k( 98) = ( 0.3025641 0.5240564 -0.0000000), wk = 0.0022573 k( 99) = ( 0.2974359 0.5151741 -0.0000000), wk = 0.0022573 k( 100) = ( 0.2923077 0.5062918 -0.0000000), wk = 0.0022573 k( 101) = ( 0.2871795 0.4974095 -0.0000000), wk = 0.0022573 k( 102) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0022573 k( 103) = ( 0.2769231 0.4796448 -0.0000000), wk = 0.0022573 k( 104) = ( 0.2717949 0.4707625 -0.0000000), wk = 0.0022573 k( 105) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0022573 k( 106) = ( 0.2615385 0.4529979 -0.0000000), wk = 0.0022573 k( 107) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0022573 k( 108) = ( 0.2512820 0.4352333 -0.0000000), wk = 0.0022573 k( 109) = ( 0.2461539 0.4263510 -0.0000000), wk = 0.0022573 k( 110) = ( 0.2410256 0.4174687 -0.0000000), wk = 0.0022573 k( 111) = ( 0.2358974 0.4085864 -0.0000000), wk = 0.0022573 k( 112) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0022573 k( 113) = ( 0.2256410 0.3908217 -0.0000000), wk = 0.0022573 k( 114) = ( 0.2205128 0.3819394 -0.0000000), wk = 0.0022573 k( 115) = ( 0.2153846 0.3730571 -0.0000000), wk = 0.0022573 k( 116) = ( 0.2102564 0.3641748 -0.0000000), wk = 0.0022573 k( 117) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0022573 k( 118) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0022573 k( 119) = ( 0.1948718 0.3375278 -0.0000000), wk = 0.0022573 k( 120) = ( 0.1897436 0.3286455 -0.0000000), wk = 0.0022573 k( 121) = ( 0.1846154 0.3197632 -0.0000000), wk = 0.0022573 k( 122) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0022573 k( 123) = ( 0.1743590 0.3019986 -0.0000000), wk = 0.0022573 k( 124) = ( 0.1692308 0.2931163 -0.0000000), wk = 0.0022573 k( 125) = ( 0.1641026 0.2842340 -0.0000000), wk = 0.0022573 k( 126) = ( 0.1589744 0.2753517 -0.0000000), wk = 0.0022573 k( 127) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0022573 k( 128) = ( 0.1487179 0.2575870 -0.0000000), wk = 0.0022573 k( 129) = ( 0.1435897 0.2487047 -0.0000000), wk = 0.0022573 k( 130) = ( 0.1384615 0.2398224 -0.0000000), wk = 0.0022573 k( 131) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0022573 k( 132) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0022573 k( 133) = ( 0.1230769 0.2131755 -0.0000000), wk = 0.0022573 k( 134) = ( 0.1179487 0.2042932 -0.0000000), wk = 0.0022573 k( 135) = ( 0.1128205 0.1954109 -0.0000000), wk = 0.0022573 k( 136) = ( 0.1076923 0.1865286 -0.0000000), wk = 0.0022573 k( 137) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0022573 k( 138) = ( 0.0974359 0.1687639 -0.0000000), wk = 0.0022573 k( 139) = ( 0.0923077 0.1598816 -0.0000000), wk = 0.0022573 k( 140) = ( 0.0871795 0.1509993 -0.0000000), wk = 0.0022573 k( 141) = ( 0.0820513 0.1421170 -0.0000000), wk = 0.0022573 k( 142) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0022573 k( 143) = ( 0.0717949 0.1243524 -0.0000000), wk = 0.0022573 k( 144) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0022573 k( 145) = ( 0.0615385 0.1065877 -0.0000000), wk = 0.0022573 k( 146) = ( 0.0564103 0.0977054 -0.0000000), wk = 0.0022573 k( 147) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0022573 k( 148) = ( 0.0461539 0.0799408 -0.0000000), wk = 0.0022573 k( 149) = ( 0.0410256 0.0710585 -0.0000000), wk = 0.0022573 k( 150) = ( 0.0358974 0.0621762 -0.0000000), wk = 0.0022573 k( 151) = ( 0.0307692 0.0532939 -0.0000000), wk = 0.0022573 k( 152) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0022573 k( 153) = ( 0.0205128 0.0355292 -0.0000000), wk = 0.0022573 k( 154) = ( 0.0153846 0.0266469 -0.0000000), wk = 0.0022573 k( 155) = ( 0.0102564 0.0177646 -0.0000000), wk = 0.0022573 k( 156) = ( 0.0051282 0.0088823 -0.0000000), wk = 0.0022573 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022573 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022573 k( 159) = ( 0.0000000 0.0000000 0.0102318), wk = 0.0022573 k( 160) = ( 0.0000000 0.0000000 0.0204637), wk = 0.0022573 k( 161) = ( 0.0000000 0.0000000 0.0306955), wk = 0.0022573 k( 162) = ( 0.0000000 0.0000000 0.0409273), wk = 0.0022573 k( 163) = ( 0.0000000 0.0000000 0.0511592), wk = 0.0022573 k( 164) = ( 0.0000000 0.0000000 0.0613910), wk = 0.0022573 k( 165) = ( 0.0000000 0.0000000 0.0716229), wk = 0.0022573 k( 166) = ( 0.0000000 0.0000000 0.0818547), wk = 0.0022573 k( 167) = ( 0.0000000 0.0000000 0.0920865), wk = 0.0022573 k( 168) = ( 0.0000000 0.0000000 0.1023184), wk = 0.0022573 k( 169) = ( 0.0000000 0.0000000 0.1125502), wk = 0.0022573 k( 170) = ( 0.0000000 0.0000000 0.1227820), wk = 0.0022573 k( 171) = ( 0.0000000 0.0000000 0.1330139), wk = 0.0022573 k( 172) = ( 0.0000000 0.0000000 0.1432457), wk = 0.0022573 k( 173) = ( 0.0000000 0.0000000 0.1534775), wk = 0.0022573 k( 174) = ( 0.0000000 0.0000000 0.1637094), wk = 0.0022573 k( 175) = ( 0.0000000 0.0000000 0.1739412), wk = 0.0022573 k( 176) = ( 0.0000000 0.0000000 0.1841731), wk = 0.0022573 k( 177) = ( 0.0000000 0.0000000 0.1944049), wk = 0.0022573 k( 178) = ( 0.0000000 0.0000000 0.2046367), wk = 0.0022573 k( 179) = ( 0.0000000 0.0000000 0.2148686), wk = 0.0022573 k( 180) = ( 0.0000000 0.0000000 0.2251004), wk = 0.0022573 k( 181) = ( 0.0000000 0.0000000 0.2353322), wk = 0.0022573 k( 182) = ( 0.0000000 0.0000000 0.2455641), wk = 0.0022573 k( 183) = ( 0.0000000 0.0000000 0.2557959), wk = 0.0022573 k( 184) = ( 0.0000000 0.0000000 0.2660277), wk = 0.0022573 k( 185) = ( 0.0000000 0.0000000 0.2762596), wk = 0.0022573 k( 186) = ( 0.0000000 0.0000000 0.2864914), wk = 0.0022573 k( 187) = ( 0.0000000 0.0000000 0.2967233), wk = 0.0022573 k( 188) = ( 0.0000000 0.0000000 0.3069551), wk = 0.0022573 k( 189) = ( 0.0000000 0.0000000 0.3171869), wk = 0.0022573 k( 190) = ( 0.0000000 0.0000000 0.3274188), wk = 0.0022573 k( 191) = ( 0.0000000 0.0000000 0.3376506), wk = 0.0022573 k( 192) = ( 0.0000000 0.0000000 0.3478824), wk = 0.0022573 k( 193) = ( 0.0000000 0.0000000 0.3581143), wk = 0.0022573 k( 194) = ( 0.0000000 0.0000000 0.3683461), wk = 0.0022573 k( 195) = ( 0.0000000 0.0000000 0.3785779), wk = 0.0022573 k( 196) = ( 0.0000000 0.0000000 0.3888098), wk = 0.0022573 k( 197) = ( 0.0000000 0.0000000 0.3990416), wk = 0.0022573 k( 198) = ( 0.0000000 0.0000000 0.4092735), wk = 0.0022573 k( 199) = ( 0.0000000 0.0000000 0.4195053), wk = 0.0022573 k( 200) = ( 0.0000000 0.0000000 0.4297371), wk = 0.0022573 k( 201) = ( 0.0000000 0.0000000 0.4297371), wk = 0.0022573 k( 202) = ( 0.0089286 0.0051549 0.4297371), wk = 0.0022573 k( 203) = ( 0.0178571 0.0103098 0.4297371), wk = 0.0022573 k( 204) = ( 0.0267857 0.0154647 0.4297371), wk = 0.0022573 k( 205) = ( 0.0357143 0.0206197 0.4297371), wk = 0.0022573 k( 206) = ( 0.0446429 0.0257746 0.4297371), wk = 0.0022573 k( 207) = ( 0.0535714 0.0309295 0.4297371), wk = 0.0022573 k( 208) = ( 0.0625000 0.0360844 0.4297371), wk = 0.0022573 k( 209) = ( 0.0714286 0.0412393 0.4297371), wk = 0.0022573 k( 210) = ( 0.0803571 0.0463942 0.4297371), wk = 0.0022573 k( 211) = ( 0.0892857 0.0515491 0.4297371), wk = 0.0022573 k( 212) = ( 0.0982143 0.0567040 0.4297371), wk = 0.0022573 k( 213) = ( 0.1071429 0.0618590 0.4297371), wk = 0.0022573 k( 214) = ( 0.1160714 0.0670139 0.4297371), wk = 0.0022573 k( 215) = ( 0.1250000 0.0721688 0.4297371), wk = 0.0022573 k( 216) = ( 0.1339286 0.0773237 0.4297371), wk = 0.0022573 k( 217) = ( 0.1428571 0.0824786 0.4297371), wk = 0.0022573 k( 218) = ( 0.1517857 0.0876335 0.4297371), wk = 0.0022573 k( 219) = ( 0.1607143 0.0927884 0.4297371), wk = 0.0022573 k( 220) = ( 0.1696429 0.0979434 0.4297371), wk = 0.0022573 k( 221) = ( 0.1785714 0.1030983 0.4297371), wk = 0.0022573 k( 222) = ( 0.1875000 0.1082532 0.4297371), wk = 0.0022573 k( 223) = ( 0.1964286 0.1134081 0.4297371), wk = 0.0022573 k( 224) = ( 0.2053571 0.1185630 0.4297371), wk = 0.0022573 k( 225) = ( 0.2142857 0.1237179 0.4297371), wk = 0.0022573 k( 226) = ( 0.2232143 0.1288728 0.4297371), wk = 0.0022573 k( 227) = ( 0.2321429 0.1340277 0.4297371), wk = 0.0022573 k( 228) = ( 0.2410714 0.1391827 0.4297371), wk = 0.0022573 k( 229) = ( 0.2500000 0.1443376 0.4297371), wk = 0.0022573 k( 230) = ( 0.2589286 0.1494925 0.4297371), wk = 0.0022573 k( 231) = ( 0.2678571 0.1546474 0.4297371), wk = 0.0022573 k( 232) = ( 0.2767857 0.1598023 0.4297371), wk = 0.0022573 k( 233) = ( 0.2857143 0.1649572 0.4297371), wk = 0.0022573 k( 234) = ( 0.2946429 0.1701121 0.4297371), wk = 0.0022573 k( 235) = ( 0.3035714 0.1752670 0.4297371), wk = 0.0022573 k( 236) = ( 0.3125000 0.1804220 0.4297371), wk = 0.0022573 k( 237) = ( 0.3214286 0.1855769 0.4297371), wk = 0.0022573 k( 238) = ( 0.3303571 0.1907318 0.4297371), wk = 0.0022573 k( 239) = ( 0.3392857 0.1958867 0.4297371), wk = 0.0022573 k( 240) = ( 0.3482143 0.2010416 0.4297371), wk = 0.0022573 k( 241) = ( 0.3571429 0.2061965 0.4297371), wk = 0.0022573 k( 242) = ( 0.3660714 0.2113514 0.4297371), wk = 0.0022573 k( 243) = ( 0.3750000 0.2165064 0.4297371), wk = 0.0022573 k( 244) = ( 0.3839286 0.2216613 0.4297371), wk = 0.0022573 k( 245) = ( 0.3928571 0.2268162 0.4297371), wk = 0.0022573 k( 246) = ( 0.4017857 0.2319711 0.4297371), wk = 0.0022573 k( 247) = ( 0.4107143 0.2371260 0.4297371), wk = 0.0022573 k( 248) = ( 0.4196429 0.2422809 0.4297371), wk = 0.0022573 k( 249) = ( 0.4285714 0.2474358 0.4297371), wk = 0.0022573 k( 250) = ( 0.4375000 0.2525907 0.4297371), wk = 0.0022573 k( 251) = ( 0.4464286 0.2577457 0.4297371), wk = 0.0022573 k( 252) = ( 0.4553571 0.2629006 0.4297371), wk = 0.0022573 k( 253) = ( 0.4642857 0.2680555 0.4297371), wk = 0.0022573 k( 254) = ( 0.4732143 0.2732104 0.4297371), wk = 0.0022573 k( 255) = ( 0.4821429 0.2783653 0.4297371), wk = 0.0022573 k( 256) = ( 0.4910714 0.2835202 0.4297371), wk = 0.0022573 k( 257) = ( 0.5000000 0.2886751 0.4297371), wk = 0.0022573 k( 258) = ( 0.5000000 0.2886751 0.4297371), wk = 0.0022573 k( 259) = ( 0.4949495 0.2974229 0.4297371), wk = 0.0022573 k( 260) = ( 0.4898990 0.3061706 0.4297371), wk = 0.0022573 k( 261) = ( 0.4848485 0.3149183 0.4297371), wk = 0.0022573 k( 262) = ( 0.4797980 0.3236661 0.4297371), wk = 0.0022573 k( 263) = ( 0.4747475 0.3324138 0.4297371), wk = 0.0022573 k( 264) = ( 0.4696970 0.3411615 0.4297371), wk = 0.0022573 k( 265) = ( 0.4646465 0.3499093 0.4297371), wk = 0.0022573 k( 266) = ( 0.4595960 0.3586570 0.4297371), wk = 0.0022573 k( 267) = ( 0.4545455 0.3674047 0.4297371), wk = 0.0022573 k( 268) = ( 0.4494950 0.3761524 0.4297371), wk = 0.0022573 k( 269) = ( 0.4444444 0.3849002 0.4297371), wk = 0.0022573 k( 270) = ( 0.4393939 0.3936479 0.4297371), wk = 0.0022573 k( 271) = ( 0.4343434 0.4023956 0.4297371), wk = 0.0022573 k( 272) = ( 0.4292929 0.4111434 0.4297371), wk = 0.0022573 k( 273) = ( 0.4242424 0.4198911 0.4297371), wk = 0.0022573 k( 274) = ( 0.4191919 0.4286388 0.4297371), wk = 0.0022573 k( 275) = ( 0.4141414 0.4373866 0.4297371), wk = 0.0022573 k( 276) = ( 0.4090909 0.4461343 0.4297371), wk = 0.0022573 k( 277) = ( 0.4040404 0.4548820 0.4297371), wk = 0.0022573 k( 278) = ( 0.3989899 0.4636298 0.4297371), wk = 0.0022573 k( 279) = ( 0.3939394 0.4723775 0.4297371), wk = 0.0022573 k( 280) = ( 0.3888889 0.4811252 0.4297371), wk = 0.0022573 k( 281) = ( 0.3838384 0.4898730 0.4297371), wk = 0.0022573 k( 282) = ( 0.3787879 0.4986207 0.4297371), wk = 0.0022573 k( 283) = ( 0.3737374 0.5073684 0.4297371), wk = 0.0022573 k( 284) = ( 0.3686869 0.5161161 0.4297371), wk = 0.0022573 k( 285) = ( 0.3636364 0.5248639 0.4297371), wk = 0.0022573 k( 286) = ( 0.3585859 0.5336116 0.4297371), wk = 0.0022573 k( 287) = ( 0.3535354 0.5423593 0.4297371), wk = 0.0022573 k( 288) = ( 0.3484849 0.5511071 0.4297371), wk = 0.0022573 k( 289) = ( 0.3434343 0.5598548 0.4297371), wk = 0.0022573 k( 290) = ( 0.3383838 0.5686025 0.4297371), wk = 0.0022573 k( 291) = ( 0.3333333 0.5773503 0.4297371), wk = 0.0022573 k( 292) = ( 0.3333333 0.5773503 0.4297371), wk = 0.0022573 k( 293) = ( 0.3282051 0.5684680 0.4297371), wk = 0.0022573 k( 294) = ( 0.3230769 0.5595856 0.4297371), wk = 0.0022573 k( 295) = ( 0.3179487 0.5507033 0.4297371), wk = 0.0022573 k( 296) = ( 0.3128205 0.5418210 0.4297371), wk = 0.0022573 k( 297) = ( 0.3076923 0.5329387 0.4297371), wk = 0.0022573 k( 298) = ( 0.3025641 0.5240564 0.4297371), wk = 0.0022573 k( 299) = ( 0.2974359 0.5151741 0.4297371), wk = 0.0022573 k( 300) = ( 0.2923077 0.5062918 0.4297371), wk = 0.0022573 k( 301) = ( 0.2871795 0.4974095 0.4297371), wk = 0.0022573 k( 302) = ( 0.2820513 0.4885271 0.4297371), wk = 0.0022573 k( 303) = ( 0.2769231 0.4796448 0.4297371), wk = 0.0022573 k( 304) = ( 0.2717949 0.4707625 0.4297371), wk = 0.0022573 k( 305) = ( 0.2666667 0.4618802 0.4297371), wk = 0.0022573 k( 306) = ( 0.2615385 0.4529979 0.4297371), wk = 0.0022573 k( 307) = ( 0.2564103 0.4441156 0.4297371), wk = 0.0022573 k( 308) = ( 0.2512820 0.4352333 0.4297371), wk = 0.0022573 k( 309) = ( 0.2461539 0.4263510 0.4297371), wk = 0.0022573 k( 310) = ( 0.2410256 0.4174687 0.4297371), wk = 0.0022573 k( 311) = ( 0.2358974 0.4085864 0.4297371), wk = 0.0022573 k( 312) = ( 0.2307692 0.3997040 0.4297371), wk = 0.0022573 k( 313) = ( 0.2256410 0.3908217 0.4297371), wk = 0.0022573 k( 314) = ( 0.2205128 0.3819394 0.4297371), wk = 0.0022573 k( 315) = ( 0.2153846 0.3730571 0.4297371), wk = 0.0022573 k( 316) = ( 0.2102564 0.3641748 0.4297371), wk = 0.0022573 k( 317) = ( 0.2051282 0.3552925 0.4297371), wk = 0.0022573 k( 318) = ( 0.2000000 0.3464102 0.4297371), wk = 0.0022573 k( 319) = ( 0.1948718 0.3375278 0.4297371), wk = 0.0022573 k( 320) = ( 0.1897436 0.3286455 0.4297371), wk = 0.0022573 k( 321) = ( 0.1846154 0.3197632 0.4297371), wk = 0.0022573 k( 322) = ( 0.1794872 0.3108809 0.4297371), wk = 0.0022573 k( 323) = ( 0.1743590 0.3019986 0.4297371), wk = 0.0022573 k( 324) = ( 0.1692308 0.2931163 0.4297371), wk = 0.0022573 k( 325) = ( 0.1641026 0.2842340 0.4297371), wk = 0.0022573 k( 326) = ( 0.1589744 0.2753517 0.4297371), wk = 0.0022573 k( 327) = ( 0.1538461 0.2664693 0.4297371), wk = 0.0022573 k( 328) = ( 0.1487179 0.2575870 0.4297371), wk = 0.0022573 k( 329) = ( 0.1435897 0.2487047 0.4297371), wk = 0.0022573 k( 330) = ( 0.1384615 0.2398224 0.4297371), wk = 0.0022573 k( 331) = ( 0.1333333 0.2309401 0.4297371), wk = 0.0022573 k( 332) = ( 0.1282051 0.2220578 0.4297371), wk = 0.0022573 k( 333) = ( 0.1230769 0.2131755 0.4297371), wk = 0.0022573 k( 334) = ( 0.1179487 0.2042932 0.4297371), wk = 0.0022573 k( 335) = ( 0.1128205 0.1954109 0.4297371), wk = 0.0022573 k( 336) = ( 0.1076923 0.1865286 0.4297371), wk = 0.0022573 k( 337) = ( 0.1025641 0.1776462 0.4297371), wk = 0.0022573 k( 338) = ( 0.0974359 0.1687639 0.4297371), wk = 0.0022573 k( 339) = ( 0.0923077 0.1598816 0.4297371), wk = 0.0022573 k( 340) = ( 0.0871795 0.1509993 0.4297371), wk = 0.0022573 k( 341) = ( 0.0820513 0.1421170 0.4297371), wk = 0.0022573 k( 342) = ( 0.0769231 0.1332347 0.4297371), wk = 0.0022573 k( 343) = ( 0.0717949 0.1243524 0.4297371), wk = 0.0022573 k( 344) = ( 0.0666667 0.1154701 0.4297371), wk = 0.0022573 k( 345) = ( 0.0615385 0.1065877 0.4297371), wk = 0.0022573 k( 346) = ( 0.0564103 0.0977054 0.4297371), wk = 0.0022573 k( 347) = ( 0.0512821 0.0888231 0.4297371), wk = 0.0022573 k( 348) = ( 0.0461539 0.0799408 0.4297371), wk = 0.0022573 k( 349) = ( 0.0410256 0.0710585 0.4297371), wk = 0.0022573 k( 350) = ( 0.0358974 0.0621762 0.4297371), wk = 0.0022573 k( 351) = ( 0.0307692 0.0532939 0.4297371), wk = 0.0022573 k( 352) = ( 0.0256410 0.0444116 0.4297371), wk = 0.0022573 k( 353) = ( 0.0205128 0.0355292 0.4297371), wk = 0.0022573 k( 354) = ( 0.0153846 0.0266469 0.4297371), wk = 0.0022573 k( 355) = ( 0.0102564 0.0177646 0.4297371), wk = 0.0022573 k( 356) = ( 0.0051282 0.0088823 0.4297371), wk = 0.0022573 k( 357) = ( 0.0000000 0.0000000 0.4297371), wk = 0.0022573 k( 358) = ( 0.5000000 0.2886751 0.4297371), wk = 0.0022573 k( 359) = ( 0.5000000 0.2886751 0.4195053), wk = 0.0022573 k( 360) = ( 0.5000000 0.2886751 0.4092735), wk = 0.0022573 k( 361) = ( 0.5000000 0.2886751 0.3990416), wk = 0.0022573 k( 362) = ( 0.5000000 0.2886751 0.3888098), wk = 0.0022573 k( 363) = ( 0.5000000 0.2886751 0.3785779), wk = 0.0022573 k( 364) = ( 0.5000000 0.2886751 0.3683461), wk = 0.0022573 k( 365) = ( 0.5000000 0.2886751 0.3581143), wk = 0.0022573 k( 366) = ( 0.5000000 0.2886751 0.3478824), wk = 0.0022573 k( 367) = ( 0.5000000 0.2886751 0.3376506), wk = 0.0022573 k( 368) = ( 0.5000000 0.2886751 0.3274188), wk = 0.0022573 k( 369) = ( 0.5000000 0.2886751 0.3171869), wk = 0.0022573 k( 370) = ( 0.5000000 0.2886751 0.3069551), wk = 0.0022573 k( 371) = ( 0.5000000 0.2886751 0.2967233), wk = 0.0022573 k( 372) = ( 0.5000000 0.2886751 0.2864914), wk = 0.0022573 k( 373) = ( 0.5000000 0.2886751 0.2762596), wk = 0.0022573 k( 374) = ( 0.5000000 0.2886751 0.2660277), wk = 0.0022573 k( 375) = ( 0.5000000 0.2886751 0.2557959), wk = 0.0022573 k( 376) = ( 0.5000000 0.2886751 0.2455641), wk = 0.0022573 k( 377) = ( 0.5000000 0.2886751 0.2353322), wk = 0.0022573 k( 378) = ( 0.5000000 0.2886751 0.2251004), wk = 0.0022573 k( 379) = ( 0.5000000 0.2886751 0.2148686), wk = 0.0022573 k( 380) = ( 0.5000000 0.2886751 0.2046367), wk = 0.0022573 k( 381) = ( 0.5000000 0.2886751 0.1944049), wk = 0.0022573 k( 382) = ( 0.5000000 0.2886751 0.1841731), wk = 0.0022573 k( 383) = ( 0.5000000 0.2886751 0.1739412), wk = 0.0022573 k( 384) = ( 0.5000000 0.2886751 0.1637094), wk = 0.0022573 k( 385) = ( 0.5000000 0.2886751 0.1534775), wk = 0.0022573 k( 386) = ( 0.5000000 0.2886751 0.1432457), wk = 0.0022573 k( 387) = ( 0.5000000 0.2886751 0.1330139), wk = 0.0022573 k( 388) = ( 0.5000000 0.2886751 0.1227820), wk = 0.0022573 k( 389) = ( 0.5000000 0.2886751 0.1125502), wk = 0.0022573 k( 390) = ( 0.5000000 0.2886751 0.1023184), wk = 0.0022573 k( 391) = ( 0.5000000 0.2886751 0.0920865), wk = 0.0022573 k( 392) = ( 0.5000000 0.2886751 0.0818547), wk = 0.0022573 k( 393) = ( 0.5000000 0.2886751 0.0716229), wk = 0.0022573 k( 394) = ( 0.5000000 0.2886751 0.0613910), wk = 0.0022573 k( 395) = ( 0.5000000 0.2886751 0.0511592), wk = 0.0022573 k( 396) = ( 0.5000000 0.2886751 0.0409273), wk = 0.0022573 k( 397) = ( 0.5000000 0.2886751 0.0306955), wk = 0.0022573 k( 398) = ( 0.5000000 0.2886751 0.0204637), wk = 0.0022573 k( 399) = ( 0.5000000 0.2886751 0.0102318), wk = 0.0022573 k( 400) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022573 k( 401) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022573 k( 402) = ( 0.3333333 0.5773503 0.0102318), wk = 0.0022573 k( 403) = ( 0.3333333 0.5773503 0.0204637), wk = 0.0022573 k( 404) = ( 0.3333333 0.5773503 0.0306955), wk = 0.0022573 k( 405) = ( 0.3333333 0.5773503 0.0409273), wk = 0.0022573 k( 406) = ( 0.3333333 0.5773503 0.0511592), wk = 0.0022573 k( 407) = ( 0.3333333 0.5773503 0.0613910), wk = 0.0022573 k( 408) = ( 0.3333333 0.5773503 0.0716229), wk = 0.0022573 k( 409) = ( 0.3333333 0.5773503 0.0818547), wk = 0.0022573 k( 410) = ( 0.3333333 0.5773503 0.0920865), wk = 0.0022573 k( 411) = ( 0.3333333 0.5773503 0.1023184), wk = 0.0022573 k( 412) = ( 0.3333333 0.5773503 0.1125502), wk = 0.0022573 k( 413) = ( 0.3333333 0.5773503 0.1227820), wk = 0.0022573 k( 414) = ( 0.3333333 0.5773503 0.1330139), wk = 0.0022573 k( 415) = ( 0.3333333 0.5773503 0.1432457), wk = 0.0022573 k( 416) = ( 0.3333333 0.5773503 0.1534775), wk = 0.0022573 k( 417) = ( 0.3333333 0.5773503 0.1637094), wk = 0.0022573 k( 418) = ( 0.3333333 0.5773503 0.1739412), wk = 0.0022573 k( 419) = ( 0.3333333 0.5773503 0.1841731), wk = 0.0022573 k( 420) = ( 0.3333333 0.5773503 0.1944049), wk = 0.0022573 k( 421) = ( 0.3333333 0.5773503 0.2046367), wk = 0.0022573 k( 422) = ( 0.3333333 0.5773503 0.2148686), wk = 0.0022573 k( 423) = ( 0.3333333 0.5773503 0.2251004), wk = 0.0022573 k( 424) = ( 0.3333333 0.5773503 0.2353322), wk = 0.0022573 k( 425) = ( 0.3333333 0.5773503 0.2455641), wk = 0.0022573 k( 426) = ( 0.3333333 0.5773503 0.2557959), wk = 0.0022573 k( 427) = ( 0.3333333 0.5773503 0.2660277), wk = 0.0022573 k( 428) = ( 0.3333333 0.5773503 0.2762596), wk = 0.0022573 k( 429) = ( 0.3333333 0.5773503 0.2864914), wk = 0.0022573 k( 430) = ( 0.3333333 0.5773503 0.2967233), wk = 0.0022573 k( 431) = ( 0.3333333 0.5773503 0.3069551), wk = 0.0022573 k( 432) = ( 0.3333333 0.5773503 0.3171869), wk = 0.0022573 k( 433) = ( 0.3333333 0.5773503 0.3274188), wk = 0.0022573 k( 434) = ( 0.3333333 0.5773503 0.3376506), wk = 0.0022573 k( 435) = ( 0.3333333 0.5773503 0.3478824), wk = 0.0022573 k( 436) = ( 0.3333333 0.5773503 0.3581143), wk = 0.0022573 k( 437) = ( 0.3333333 0.5773503 0.3683461), wk = 0.0022573 k( 438) = ( 0.3333333 0.5773503 0.3785779), wk = 0.0022573 k( 439) = ( 0.3333333 0.5773503 0.3888098), wk = 0.0022573 k( 440) = ( 0.3333333 0.5773503 0.3990416), wk = 0.0022573 k( 441) = ( 0.3333333 0.5773503 0.4092735), wk = 0.0022573 k( 442) = ( 0.3333333 0.5773503 0.4195053), wk = 0.0022573 k( 443) = ( 0.3333333 0.5773503 0.4297371), wk = 0.0022573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022573 k( 2) = ( 0.0089286 -0.0000000 0.0000000), wk = 0.0022573 k( 3) = ( 0.0178571 -0.0000000 0.0000000), wk = 0.0022573 k( 4) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0022573 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0022573 k( 6) = ( 0.0446429 -0.0000000 0.0000000), wk = 0.0022573 k( 7) = ( 0.0535714 -0.0000000 0.0000000), wk = 0.0022573 k( 8) = ( 0.0625000 -0.0000000 0.0000000), wk = 0.0022573 k( 9) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0022573 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0022573 k( 11) = ( 0.0892857 -0.0000000 0.0000000), wk = 0.0022573 k( 12) = ( 0.0982143 -0.0000000 0.0000000), wk = 0.0022573 k( 13) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0022573 k( 14) = ( 0.1160714 -0.0000000 0.0000000), wk = 0.0022573 k( 15) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0022573 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0022573 k( 17) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0022573 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0022573 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0022573 k( 20) = ( 0.1696429 -0.0000000 0.0000000), wk = 0.0022573 k( 21) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0022573 k( 22) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0022573 k( 23) = ( 0.1964286 -0.0000000 0.0000000), wk = 0.0022573 k( 24) = ( 0.2053571 -0.0000000 0.0000000), wk = 0.0022573 k( 25) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0022573 k( 26) = ( 0.2232143 -0.0000000 0.0000000), wk = 0.0022573 k( 27) = ( 0.2321429 -0.0000000 0.0000000), wk = 0.0022573 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0022573 k( 29) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0022573 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0022573 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0022573 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0022573 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0022573 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0022573 k( 35) = ( 0.3035714 -0.0000000 0.0000000), wk = 0.0022573 k( 36) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0022573 k( 37) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0022573 k( 38) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0022573 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0022573 k( 40) = ( 0.3482143 -0.0000000 0.0000000), wk = 0.0022573 k( 41) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0022573 k( 42) = ( 0.3660714 -0.0000000 0.0000000), wk = 0.0022573 k( 43) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0022573 k( 44) = ( 0.3839286 -0.0000000 0.0000000), wk = 0.0022573 k( 45) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0022573 k( 46) = ( 0.4017857 -0.0000000 0.0000000), wk = 0.0022573 k( 47) = ( 0.4107143 -0.0000000 0.0000000), wk = 0.0022573 k( 48) = ( 0.4196429 0.0000000 -0.0000000), wk = 0.0022573 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0022573 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0022573 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0022573 k( 52) = ( 0.4553571 -0.0000000 0.0000000), wk = 0.0022573 k( 53) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0022573 k( 54) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0022573 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0022573 k( 56) = ( 0.4910714 -0.0000000 0.0000000), wk = 0.0022573 k( 57) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022573 k( 58) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022573 k( 59) = ( 0.4949495 0.0101010 0.0000000), wk = 0.0022573 k( 60) = ( 0.4898990 0.0202020 0.0000000), wk = 0.0022573 k( 61) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0022573 k( 62) = ( 0.4797980 0.0404040 0.0000000), wk = 0.0022573 k( 63) = ( 0.4747475 0.0505050 0.0000000), wk = 0.0022573 k( 64) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0022573 k( 65) = ( 0.4646465 0.0707071 0.0000000), wk = 0.0022573 k( 66) = ( 0.4595960 0.0808081 0.0000000), wk = 0.0022573 k( 67) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0022573 k( 68) = ( 0.4494950 0.1010101 0.0000000), wk = 0.0022573 k( 69) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0022573 k( 70) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0022573 k( 71) = ( 0.4343434 0.1313131 0.0000000), wk = 0.0022573 k( 72) = ( 0.4292929 0.1414141 0.0000000), wk = 0.0022573 k( 73) = ( 0.4242424 0.1515151 0.0000000), wk = 0.0022573 k( 74) = ( 0.4191919 0.1616162 0.0000000), wk = 0.0022573 k( 75) = ( 0.4141414 0.1717172 0.0000000), wk = 0.0022573 k( 76) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0022573 k( 77) = ( 0.4040404 0.1919192 0.0000000), wk = 0.0022573 k( 78) = ( 0.3989899 0.2020202 0.0000000), wk = 0.0022573 k( 79) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0022573 k( 80) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0022573 k( 81) = ( 0.3838384 0.2323232 0.0000000), wk = 0.0022573 k( 82) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0022573 k( 83) = ( 0.3737374 0.2525252 0.0000000), wk = 0.0022573 k( 84) = ( 0.3686869 0.2626263 0.0000000), wk = 0.0022573 k( 85) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0022573 k( 86) = ( 0.3585859 0.2828283 0.0000000), wk = 0.0022573 k( 87) = ( 0.3535354 0.2929293 0.0000000), wk = 0.0022573 k( 88) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0022573 k( 89) = ( 0.3434343 0.3131313 0.0000000), wk = 0.0022573 k( 90) = ( 0.3383838 0.3232323 0.0000000), wk = 0.0022573 k( 91) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022573 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022573 k( 93) = ( 0.3282051 0.3282051 0.0000000), wk = 0.0022573 k( 94) = ( 0.3230769 0.3230769 0.0000000), wk = 0.0022573 k( 95) = ( 0.3179487 0.3179487 -0.0000000), wk = 0.0022573 k( 96) = ( 0.3128205 0.3128205 0.0000000), wk = 0.0022573 k( 97) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0022573 k( 98) = ( 0.3025641 0.3025641 0.0000000), wk = 0.0022573 k( 99) = ( 0.2974359 0.2974359 0.0000000), wk = 0.0022573 k( 100) = ( 0.2923077 0.2923077 0.0000000), wk = 0.0022573 k( 101) = ( 0.2871795 0.2871795 0.0000000), wk = 0.0022573 k( 102) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0022573 k( 103) = ( 0.2769231 0.2769231 0.0000000), wk = 0.0022573 k( 104) = ( 0.2717949 0.2717949 0.0000000), wk = 0.0022573 k( 105) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0022573 k( 106) = ( 0.2615385 0.2615385 0.0000000), wk = 0.0022573 k( 107) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0022573 k( 108) = ( 0.2512820 0.2512820 0.0000000), wk = 0.0022573 k( 109) = ( 0.2461539 0.2461538 0.0000000), wk = 0.0022573 k( 110) = ( 0.2410256 0.2410256 0.0000000), wk = 0.0022573 k( 111) = ( 0.2358974 0.2358974 0.0000000), wk = 0.0022573 k( 112) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0022573 k( 113) = ( 0.2256410 0.2256410 0.0000000), wk = 0.0022573 k( 114) = ( 0.2205128 0.2205128 0.0000000), wk = 0.0022573 k( 115) = ( 0.2153846 0.2153846 0.0000000), wk = 0.0022573 k( 116) = ( 0.2102564 0.2102564 0.0000000), wk = 0.0022573 k( 117) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0022573 k( 118) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0022573 k( 119) = ( 0.1948718 0.1948718 0.0000000), wk = 0.0022573 k( 120) = ( 0.1897436 0.1897436 0.0000000), wk = 0.0022573 k( 121) = ( 0.1846154 0.1846154 -0.0000000), wk = 0.0022573 k( 122) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0022573 k( 123) = ( 0.1743590 0.1743590 0.0000000), wk = 0.0022573 k( 124) = ( 0.1692308 0.1692308 -0.0000000), wk = 0.0022573 k( 125) = ( 0.1641026 0.1641026 0.0000000), wk = 0.0022573 k( 126) = ( 0.1589744 0.1589744 -0.0000000), wk = 0.0022573 k( 127) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0022573 k( 128) = ( 0.1487179 0.1487179 0.0000000), wk = 0.0022573 k( 129) = ( 0.1435897 0.1435897 0.0000000), wk = 0.0022573 k( 130) = ( 0.1384615 0.1384615 0.0000000), wk = 0.0022573 k( 131) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0022573 k( 132) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0022573 k( 133) = ( 0.1230769 0.1230769 0.0000000), wk = 0.0022573 k( 134) = ( 0.1179487 0.1179487 0.0000000), wk = 0.0022573 k( 135) = ( 0.1128205 0.1128205 0.0000000), wk = 0.0022573 k( 136) = ( 0.1076923 0.1076923 0.0000000), wk = 0.0022573 k( 137) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0022573 k( 138) = ( 0.0974359 0.0974359 0.0000000), wk = 0.0022573 k( 139) = ( 0.0923077 0.0923077 -0.0000000), wk = 0.0022573 k( 140) = ( 0.0871795 0.0871795 -0.0000000), wk = 0.0022573 k( 141) = ( 0.0820513 0.0820513 0.0000000), wk = 0.0022573 k( 142) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0022573 k( 143) = ( 0.0717949 0.0717949 0.0000000), wk = 0.0022573 k( 144) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0022573 k( 145) = ( 0.0615385 0.0615385 0.0000000), wk = 0.0022573 k( 146) = ( 0.0564103 0.0564103 -0.0000000), wk = 0.0022573 k( 147) = ( 0.0512821 0.0512820 0.0000000), wk = 0.0022573 k( 148) = ( 0.0461539 0.0461538 0.0000000), wk = 0.0022573 k( 149) = ( 0.0410256 0.0410256 0.0000000), wk = 0.0022573 k( 150) = ( 0.0358974 0.0358974 0.0000000), wk = 0.0022573 k( 151) = ( 0.0307692 0.0307692 0.0000000), wk = 0.0022573 k( 152) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0022573 k( 153) = ( 0.0205128 0.0205128 0.0000000), wk = 0.0022573 k( 154) = ( 0.0153846 0.0153846 0.0000000), wk = 0.0022573 k( 155) = ( 0.0102564 0.0102564 0.0000000), wk = 0.0022573 k( 156) = ( 0.0051282 0.0051282 0.0000000), wk = 0.0022573 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022573 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022573 k( 159) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0022573 k( 160) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0022573 k( 161) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0022573 k( 162) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0022573 k( 163) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0022573 k( 164) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022573 k( 165) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0022573 k( 166) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0022573 k( 167) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0022573 k( 168) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0022573 k( 169) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0022573 k( 170) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022573 k( 171) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0022573 k( 172) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022573 k( 173) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0022573 k( 174) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0022573 k( 175) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0022573 k( 176) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022573 k( 177) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0022573 k( 178) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0022573 k( 179) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022573 k( 180) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0022573 k( 181) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0022573 k( 182) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022573 k( 183) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0022573 k( 184) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0022573 k( 185) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0022573 k( 186) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022573 k( 187) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0022573 k( 188) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022573 k( 189) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0022573 k( 190) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0022573 k( 191) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0022573 k( 192) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0022573 k( 193) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0022573 k( 194) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022573 k( 195) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0022573 k( 196) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0022573 k( 197) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0022573 k( 198) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0022573 k( 199) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0022573 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022573 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022573 k( 202) = ( 0.0089286 -0.0000000 0.5000000), wk = 0.0022573 k( 203) = ( 0.0178571 -0.0000000 0.5000000), wk = 0.0022573 k( 204) = ( 0.0267857 0.0000000 0.5000000), wk = 0.0022573 k( 205) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0022573 k( 206) = ( 0.0446429 -0.0000000 0.5000000), wk = 0.0022573 k( 207) = ( 0.0535714 -0.0000000 0.5000000), wk = 0.0022573 k( 208) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0022573 k( 209) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0022573 k( 210) = ( 0.0803571 0.0000000 0.5000000), wk = 0.0022573 k( 211) = ( 0.0892857 -0.0000000 0.5000000), wk = 0.0022573 k( 212) = ( 0.0982143 -0.0000000 0.5000000), wk = 0.0022573 k( 213) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0022573 k( 214) = ( 0.1160714 -0.0000000 0.5000000), wk = 0.0022573 k( 215) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0022573 k( 216) = ( 0.1339286 0.0000000 0.5000000), wk = 0.0022573 k( 217) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0022573 k( 218) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0022573 k( 219) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0022573 k( 220) = ( 0.1696429 -0.0000000 0.5000000), wk = 0.0022573 k( 221) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0022573 k( 222) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0022573 k( 223) = ( 0.1964286 -0.0000000 0.5000000), wk = 0.0022573 k( 224) = ( 0.2053571 -0.0000000 0.5000000), wk = 0.0022573 k( 225) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0022573 k( 226) = ( 0.2232143 -0.0000000 0.5000000), wk = 0.0022573 k( 227) = ( 0.2321429 -0.0000000 0.5000000), wk = 0.0022573 k( 228) = ( 0.2410714 0.0000000 0.5000000), wk = 0.0022573 k( 229) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0022573 k( 230) = ( 0.2589286 0.0000000 0.5000000), wk = 0.0022573 k( 231) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0022573 k( 232) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0022573 k( 233) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0022573 k( 234) = ( 0.2946429 0.0000000 0.5000000), wk = 0.0022573 k( 235) = ( 0.3035714 -0.0000000 0.5000000), wk = 0.0022573 k( 236) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0022573 k( 237) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0022573 k( 238) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0022573 k( 239) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0022573 k( 240) = ( 0.3482143 -0.0000000 0.5000000), wk = 0.0022573 k( 241) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0022573 k( 242) = ( 0.3660714 -0.0000000 0.5000000), wk = 0.0022573 k( 243) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0022573 k( 244) = ( 0.3839286 -0.0000000 0.5000000), wk = 0.0022573 k( 245) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0022573 k( 246) = ( 0.4017857 -0.0000000 0.5000000), wk = 0.0022573 k( 247) = ( 0.4107143 -0.0000000 0.5000000), wk = 0.0022573 k( 248) = ( 0.4196429 0.0000000 0.5000000), wk = 0.0022573 k( 249) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0022573 k( 250) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0022573 k( 251) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0022573 k( 252) = ( 0.4553571 -0.0000000 0.5000000), wk = 0.0022573 k( 253) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0022573 k( 254) = ( 0.4732143 0.0000000 0.5000000), wk = 0.0022573 k( 255) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0022573 k( 256) = ( 0.4910714 -0.0000000 0.5000000), wk = 0.0022573 k( 257) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022573 k( 258) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022573 k( 259) = ( 0.4949495 0.0101010 0.5000000), wk = 0.0022573 k( 260) = ( 0.4898990 0.0202020 0.5000000), wk = 0.0022573 k( 261) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0022573 k( 262) = ( 0.4797980 0.0404040 0.5000000), wk = 0.0022573 k( 263) = ( 0.4747475 0.0505050 0.5000000), wk = 0.0022573 k( 264) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0022573 k( 265) = ( 0.4646465 0.0707071 0.5000000), wk = 0.0022573 k( 266) = ( 0.4595960 0.0808081 0.5000000), wk = 0.0022573 k( 267) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0022573 k( 268) = ( 0.4494950 0.1010101 0.5000000), wk = 0.0022573 k( 269) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0022573 k( 270) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0022573 k( 271) = ( 0.4343434 0.1313131 0.5000000), wk = 0.0022573 k( 272) = ( 0.4292929 0.1414141 0.5000000), wk = 0.0022573 k( 273) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0022573 k( 274) = ( 0.4191919 0.1616162 0.5000000), wk = 0.0022573 k( 275) = ( 0.4141414 0.1717172 0.5000000), wk = 0.0022573 k( 276) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0022573 k( 277) = ( 0.4040404 0.1919192 0.5000000), wk = 0.0022573 k( 278) = ( 0.3989899 0.2020202 0.5000000), wk = 0.0022573 k( 279) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0022573 k( 280) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0022573 k( 281) = ( 0.3838384 0.2323232 0.5000000), wk = 0.0022573 k( 282) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0022573 k( 283) = ( 0.3737374 0.2525252 0.5000000), wk = 0.0022573 k( 284) = ( 0.3686869 0.2626263 0.5000000), wk = 0.0022573 k( 285) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0022573 k( 286) = ( 0.3585859 0.2828283 0.5000000), wk = 0.0022573 k( 287) = ( 0.3535354 0.2929293 0.5000000), wk = 0.0022573 k( 288) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0022573 k( 289) = ( 0.3434343 0.3131313 0.5000000), wk = 0.0022573 k( 290) = ( 0.3383838 0.3232323 0.5000000), wk = 0.0022573 k( 291) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022573 k( 292) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022573 k( 293) = ( 0.3282051 0.3282051 0.5000000), wk = 0.0022573 k( 294) = ( 0.3230769 0.3230769 0.5000000), wk = 0.0022573 k( 295) = ( 0.3179487 0.3179487 0.5000000), wk = 0.0022573 k( 296) = ( 0.3128205 0.3128205 0.5000000), wk = 0.0022573 k( 297) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0022573 k( 298) = ( 0.3025641 0.3025641 0.5000000), wk = 0.0022573 k( 299) = ( 0.2974359 0.2974359 0.5000000), wk = 0.0022573 k( 300) = ( 0.2923077 0.2923077 0.5000000), wk = 0.0022573 k( 301) = ( 0.2871795 0.2871795 0.5000000), wk = 0.0022573 k( 302) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0022573 k( 303) = ( 0.2769231 0.2769231 0.5000000), wk = 0.0022573 k( 304) = ( 0.2717949 0.2717949 0.5000000), wk = 0.0022573 k( 305) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0022573 k( 306) = ( 0.2615385 0.2615385 0.5000000), wk = 0.0022573 k( 307) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0022573 k( 308) = ( 0.2512820 0.2512820 0.5000000), wk = 0.0022573 k( 309) = ( 0.2461539 0.2461538 0.5000000), wk = 0.0022573 k( 310) = ( 0.2410256 0.2410256 0.5000000), wk = 0.0022573 k( 311) = ( 0.2358974 0.2358974 0.5000000), wk = 0.0022573 k( 312) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0022573 k( 313) = ( 0.2256410 0.2256410 0.5000000), wk = 0.0022573 k( 314) = ( 0.2205128 0.2205128 0.5000000), wk = 0.0022573 k( 315) = ( 0.2153846 0.2153846 0.5000000), wk = 0.0022573 k( 316) = ( 0.2102564 0.2102564 0.5000000), wk = 0.0022573 k( 317) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0022573 k( 318) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0022573 k( 319) = ( 0.1948718 0.1948718 0.5000000), wk = 0.0022573 k( 320) = ( 0.1897436 0.1897436 0.5000000), wk = 0.0022573 k( 321) = ( 0.1846154 0.1846154 0.5000000), wk = 0.0022573 k( 322) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0022573 k( 323) = ( 0.1743590 0.1743590 0.5000000), wk = 0.0022573 k( 324) = ( 0.1692308 0.1692308 0.5000000), wk = 0.0022573 k( 325) = ( 0.1641026 0.1641026 0.5000000), wk = 0.0022573 k( 326) = ( 0.1589744 0.1589744 0.5000000), wk = 0.0022573 k( 327) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0022573 k( 328) = ( 0.1487179 0.1487179 0.5000000), wk = 0.0022573 k( 329) = ( 0.1435897 0.1435897 0.5000000), wk = 0.0022573 k( 330) = ( 0.1384615 0.1384615 0.5000000), wk = 0.0022573 k( 331) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0022573 k( 332) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0022573 k( 333) = ( 0.1230769 0.1230769 0.5000000), wk = 0.0022573 k( 334) = ( 0.1179487 0.1179487 0.5000000), wk = 0.0022573 k( 335) = ( 0.1128205 0.1128205 0.5000000), wk = 0.0022573 k( 336) = ( 0.1076923 0.1076923 0.5000000), wk = 0.0022573 k( 337) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0022573 k( 338) = ( 0.0974359 0.0974359 0.5000000), wk = 0.0022573 k( 339) = ( 0.0923077 0.0923077 0.5000000), wk = 0.0022573 k( 340) = ( 0.0871795 0.0871795 0.5000000), wk = 0.0022573 k( 341) = ( 0.0820513 0.0820513 0.5000000), wk = 0.0022573 k( 342) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0022573 k( 343) = ( 0.0717949 0.0717949 0.5000000), wk = 0.0022573 k( 344) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0022573 k( 345) = ( 0.0615385 0.0615385 0.5000000), wk = 0.0022573 k( 346) = ( 0.0564103 0.0564103 0.5000000), wk = 0.0022573 k( 347) = ( 0.0512821 0.0512820 0.5000000), wk = 0.0022573 k( 348) = ( 0.0461539 0.0461538 0.5000000), wk = 0.0022573 k( 349) = ( 0.0410256 0.0410256 0.5000000), wk = 0.0022573 k( 350) = ( 0.0358974 0.0358974 0.5000000), wk = 0.0022573 k( 351) = ( 0.0307692 0.0307692 0.5000000), wk = 0.0022573 k( 352) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0022573 k( 353) = ( 0.0205128 0.0205128 0.5000000), wk = 0.0022573 k( 354) = ( 0.0153846 0.0153846 0.5000000), wk = 0.0022573 k( 355) = ( 0.0102564 0.0102564 0.5000000), wk = 0.0022573 k( 356) = ( 0.0051282 0.0051282 0.5000000), wk = 0.0022573 k( 357) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022573 k( 358) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022573 k( 359) = ( 0.5000000 -0.0000000 0.4880952), wk = 0.0022573 k( 360) = ( 0.5000000 -0.0000000 0.4761905), wk = 0.0022573 k( 361) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0022573 k( 362) = ( 0.5000000 -0.0000000 0.4523809), wk = 0.0022573 k( 363) = ( 0.5000000 -0.0000000 0.4404762), wk = 0.0022573 k( 364) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0022573 k( 365) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0022573 k( 366) = ( 0.5000000 -0.0000000 0.4047619), wk = 0.0022573 k( 367) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0022573 k( 368) = ( 0.5000000 -0.0000000 0.3809524), wk = 0.0022573 k( 369) = ( 0.5000000 -0.0000000 0.3690476), wk = 0.0022573 k( 370) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0022573 k( 371) = ( 0.5000000 -0.0000000 0.3452381), wk = 0.0022573 k( 372) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0022573 k( 373) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0022573 k( 374) = ( 0.5000000 -0.0000000 0.3095238), wk = 0.0022573 k( 375) = ( 0.5000000 -0.0000000 0.2976190), wk = 0.0022573 k( 376) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0022573 k( 377) = ( 0.5000000 -0.0000000 0.2738095), wk = 0.0022573 k( 378) = ( 0.5000000 -0.0000000 0.2619048), wk = 0.0022573 k( 379) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0022573 k( 380) = ( 0.5000000 -0.0000000 0.2380952), wk = 0.0022573 k( 381) = ( 0.5000000 -0.0000000 0.2261905), wk = 0.0022573 k( 382) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0022573 k( 383) = ( 0.5000000 -0.0000000 0.2023809), wk = 0.0022573 k( 384) = ( 0.5000000 -0.0000000 0.1904762), wk = 0.0022573 k( 385) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0022573 k( 386) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0022573 k( 387) = ( 0.5000000 -0.0000000 0.1547619), wk = 0.0022573 k( 388) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0022573 k( 389) = ( 0.5000000 -0.0000000 0.1309524), wk = 0.0022573 k( 390) = ( 0.5000000 -0.0000000 0.1190476), wk = 0.0022573 k( 391) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0022573 k( 392) = ( 0.5000000 -0.0000000 0.0952381), wk = 0.0022573 k( 393) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0022573 k( 394) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0022573 k( 395) = ( 0.5000000 -0.0000000 0.0595238), wk = 0.0022573 k( 396) = ( 0.5000000 -0.0000000 0.0476191), wk = 0.0022573 k( 397) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0022573 k( 398) = ( 0.5000000 -0.0000000 0.0238095), wk = 0.0022573 k( 399) = ( 0.5000000 -0.0000000 0.0119048), wk = 0.0022573 k( 400) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022573 k( 401) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022573 k( 402) = ( 0.3333333 0.3333333 0.0119048), wk = 0.0022573 k( 403) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0022573 k( 404) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0022573 k( 405) = ( 0.3333333 0.3333333 0.0476190), wk = 0.0022573 k( 406) = ( 0.3333333 0.3333333 0.0595238), wk = 0.0022573 k( 407) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0022573 k( 408) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0022573 k( 409) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0022573 k( 410) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0022573 k( 411) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0022573 k( 412) = ( 0.3333333 0.3333333 0.1309524), wk = 0.0022573 k( 413) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0022573 k( 414) = ( 0.3333333 0.3333333 0.1547619), wk = 0.0022573 k( 415) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0022573 k( 416) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0022573 k( 417) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0022573 k( 418) = ( 0.3333333 0.3333333 0.2023810), wk = 0.0022573 k( 419) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0022573 k( 420) = ( 0.3333333 0.3333333 0.2261905), wk = 0.0022573 k( 421) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0022573 k( 422) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0022573 k( 423) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0022573 k( 424) = ( 0.3333333 0.3333333 0.2738095), wk = 0.0022573 k( 425) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0022573 k( 426) = ( 0.3333333 0.3333333 0.2976190), wk = 0.0022573 k( 427) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0022573 k( 428) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0022573 k( 429) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0022573 k( 430) = ( 0.3333333 0.3333333 0.3452381), wk = 0.0022573 k( 431) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0022573 k( 432) = ( 0.3333333 0.3333333 0.3690476), wk = 0.0022573 k( 433) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0022573 k( 434) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0022573 k( 435) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0022573 k( 436) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0022573 k( 437) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0022573 k( 438) = ( 0.3333333 0.3333333 0.4404762), wk = 0.0022573 k( 439) = ( 0.3333333 0.3333333 0.4523809), wk = 0.0022573 k( 440) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0022573 k( 441) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0022573 k( 442) = ( 0.3333333 0.3333333 0.4880952), wk = 0.0022573 k( 443) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022573 Dense grid: 23063 G-vectors FFT dimensions: ( 36, 36, 45) Smooth grid: 10705 G-vectors FFT dimensions: ( 27, 27, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 64, 30) NL pseudopotentials 0.03 Mb ( 32, 62) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 484) G-vector shells 0.00 Mb ( 251) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 64, 120) Each subspace H/S matrix 0.22 Mb ( 120, 120) Each matrix 0.06 Mb ( 62, 2, 30) The potential is recalculated from file : ./HfN2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.6 secs Computing kpt #: 2 total cpu time spent up to now is 40.9 secs Computing kpt #: 3 total cpu time spent up to now is 41.2 secs Computing kpt #: 4 total cpu time spent up to now is 41.5 secs Computing kpt #: 5 total cpu time spent up to now is 41.9 secs Computing kpt #: 6 total cpu time spent up to now is 42.2 secs Computing kpt #: 7 total cpu time spent up to now is 42.5 secs Computing kpt #: 8 total cpu time spent up to now is 42.8 secs Computing kpt #: 9 total cpu time spent up to now is 43.1 secs Computing kpt #: 10 total cpu time spent up to now is 43.5 secs Computing kpt #: 11 total cpu time spent up to now is 43.8 secs Computing kpt #: 12 total cpu time spent up to now is 44.2 secs Computing kpt #: 13 total cpu time spent up to now is 44.5 secs Computing kpt #: 14 total cpu time spent up to now is 44.9 secs Computing kpt #: 15 total cpu time spent up to now is 45.3 secs Computing kpt #: 16 total cpu time spent up to now is 45.7 secs Computing kpt #: 17 total cpu time spent up to now is 46.1 secs Computing kpt #: 18 total cpu time spent up to now is 46.5 secs Computing kpt #: 19 total cpu time spent up to now is 46.9 secs Computing kpt #: 20 total cpu time spent up to now is 47.3 secs Computing kpt #: 21 total cpu time spent up to now is 47.7 secs Computing kpt #: 22 total cpu time spent up to now is 48.1 secs Computing kpt #: 23 total cpu time spent up to now is 48.5 secs Computing kpt #: 24 total cpu time spent up to now is 48.9 secs Computing kpt #: 25 total cpu time spent up to now is 49.3 secs Computing kpt #: 26 total cpu time spent up to now is 49.6 secs Computing kpt #: 27 total cpu time spent up to now is 50.0 secs Computing kpt #: 28 total cpu time spent up to now is 50.5 secs Computing kpt #: 29 total cpu time spent up to now is 51.0 secs Computing kpt #: 30 total cpu time spent up to now is 51.5 secs Computing kpt #: 31 total cpu time spent up to now is 51.9 secs Computing kpt #: 32 total cpu time spent up to now is 52.2 secs Computing kpt #: 33 total cpu time spent up to now is 52.5 secs Computing kpt #: 34 total cpu time spent up to now is 52.8 secs Computing kpt #: 35 total cpu time spent up to now is 53.2 secs Computing kpt #: 36 total cpu time spent up to now is 53.6 secs Computing kpt #: 37 total cpu time spent up to now is 54.0 secs Computing kpt #: 38 total cpu time spent up to now is 54.4 secs Computing kpt #: 39 total cpu time spent up to now is 54.7 secs Computing kpt #: 40 total cpu time spent up to now is 55.0 secs Computing kpt #: 41 total cpu time spent up to now is 55.4 secs Computing kpt #: 42 total cpu time spent up to now is 55.8 secs Computing kpt #: 43 total cpu time spent up to now is 56.1 secs Computing kpt #: 44 total cpu time spent up to now is 56.4 secs Computing kpt #: 45 total cpu time spent up to now is 56.7 secs Computing kpt #: 46 total cpu time spent up to now is 57.1 secs Computing kpt #: 47 total cpu time spent up to now is 57.6 secs Computing kpt #: 48 total cpu time spent up to now is 57.9 secs Computing kpt #: 49 total cpu time spent up to now is 58.2 secs Computing kpt #: 50 total cpu time spent up to now is 58.5 secs Computing kpt #: 51 total cpu time spent up to now is 58.8 secs Computing kpt #: 52 total cpu time spent up to now is 59.2 secs Computing kpt #: 53 total cpu time spent up to now is 59.5 secs Computing kpt #: 54 total cpu time spent up to now is 59.8 secs Computing kpt #: 55 total cpu time spent up to now is 60.1 secs Computing kpt #: 56 total cpu time spent up to now is 60.4 secs Computing kpt #: 57 total cpu time spent up to now is 60.7 secs Computing kpt #: 58 total cpu time spent up to now is 61.0 secs Computing kpt #: 59 total cpu time spent up to now is 61.3 secs Computing kpt #: 60 total cpu time spent up to now is 61.6 secs Computing kpt #: 61 total cpu time spent up to now is 62.1 secs Computing kpt #: 62 total cpu time spent up to now is 62.4 secs Computing kpt #: 63 total cpu time spent up to now is 62.8 secs Computing kpt #: 64 total cpu time spent up to now is 63.2 secs Computing kpt #: 65 total cpu time spent up to now is 63.5 secs Computing kpt #: 66 total cpu time spent up to now is 63.9 secs Computing kpt #: 67 total cpu time spent up to now is 64.3 secs Computing kpt #: 68 total cpu time spent up to now is 64.7 secs Computing kpt #: 69 total cpu time spent up to now is 65.2 secs Computing kpt #: 70 total cpu time spent up to now is 65.9 secs Computing kpt #: 71 total cpu time spent up to now is 66.3 secs Computing kpt #: 72 total cpu time spent up to now is 66.6 secs Computing kpt #: 73 total cpu time spent up to now is 67.1 secs Computing kpt #: 74 total cpu time spent up to now is 67.8 secs Computing kpt #: 75 total cpu time spent up to now is 68.1 secs Computing kpt #: 76 total cpu time spent up to now is 68.6 secs Computing kpt #: 77 total cpu time spent up to now is 69.3 secs Computing kpt #: 78 total cpu time spent up to now is 69.7 secs Computing kpt #: 79 total cpu time spent up to now is 70.1 secs Computing kpt #: 80 total cpu time spent up to now is 70.8 secs Computing kpt #: 81 total cpu time spent up to now is 71.2 secs Computing kpt #: 82 total cpu time spent up to now is 71.5 secs Computing kpt #: 83 total cpu time spent up to now is 71.9 secs Computing kpt #: 84 total cpu time spent up to now is 72.3 secs Computing kpt #: 85 total cpu time spent up to now is 72.7 secs Computing kpt #: 86 total cpu time spent up to now is 73.1 secs Computing kpt #: 87 total cpu time spent up to now is 73.5 secs Computing kpt #: 88 total cpu time spent up to now is 73.8 secs Computing kpt #: 89 total cpu time spent up to now is 74.2 secs Computing kpt #: 90 total cpu time spent up to now is 74.6 secs Computing kpt #: 91 total cpu time spent up to now is 75.0 secs Computing kpt #: 92 total cpu time spent up to now is 75.5 secs Computing kpt #: 93 total cpu time spent up to now is 76.1 secs Computing kpt #: 94 total cpu time spent up to now is 76.5 secs Computing kpt #: 95 total cpu time spent up to now is 77.0 secs Computing kpt #: 96 total cpu time spent up to now is 77.4 secs Computing kpt #: 97 total cpu time spent up to now is 77.8 secs Computing kpt #: 98 total cpu time spent up to now is 78.3 secs Computing kpt #: 99 total cpu time spent up to now is 78.7 secs Computing kpt #: 100 total cpu time spent up to now is 79.2 secs Computing kpt #: 101 total cpu time spent up to now is 79.5 secs Computing kpt #: 102 total cpu time spent up to now is 79.9 secs Computing kpt #: 103 total cpu time spent up to now is 80.2 secs Computing kpt #: 104 total cpu time spent up to now is 80.5 secs Computing kpt #: 105 total cpu time spent up to now is 80.8 secs Computing kpt #: 106 total cpu time spent up to now is 81.1 secs Computing kpt #: 107 total cpu time spent up to now is 81.4 secs Computing kpt #: 108 total cpu time spent up to now is 81.7 secs Computing kpt #: 109 total cpu time spent up to now is 82.0 secs Computing kpt #: 110 total cpu time spent up to now is 82.4 secs Computing kpt #: 111 total cpu time spent up to now is 82.8 secs Computing kpt #: 112 total cpu time spent up to now is 83.1 secs Computing kpt #: 113 total cpu time spent up to now is 83.5 secs Computing kpt #: 114 total cpu time spent up to now is 83.9 secs Computing kpt #: 115 total cpu time spent up to now is 84.3 secs Computing kpt #: 116 total cpu time spent up to now is 84.6 secs Computing kpt #: 117 total cpu time spent up to now is 85.0 secs Computing kpt #: 118 total cpu time spent up to now is 85.4 secs Computing kpt #: 119 total cpu time spent up to now is 85.7 secs Computing kpt #: 120 total cpu time spent up to now is 86.2 secs Computing kpt #: 121 total cpu time spent up to now is 86.8 secs Computing kpt #: 122 total cpu time spent up to now is 87.5 secs Computing kpt #: 123 total cpu time spent up to now is 88.0 secs Computing kpt #: 124 total cpu time spent up to now is 88.3 secs Computing kpt #: 125 total cpu time spent up to now is 88.6 secs Computing kpt #: 126 total cpu time spent up to now is 89.0 secs Computing kpt #: 127 total cpu time spent up to now is 89.3 secs Computing kpt #: 128 total cpu time spent up to now is 89.6 secs Computing kpt #: 129 total cpu time spent up to now is 90.1 secs Computing kpt #: 130 total cpu time spent up to now is 90.5 secs Computing kpt #: 131 total cpu time spent up to now is 90.9 secs Computing kpt #: 132 total cpu time spent up to now is 91.4 secs Computing kpt #: 133 total cpu time spent up to now is 92.3 secs Computing kpt #: 134 total cpu time spent up to now is 92.9 secs Computing kpt #: 135 total cpu time spent up to now is 93.4 secs Computing kpt #: 136 total cpu time spent up to now is 93.9 secs Computing kpt #: 137 total cpu time spent up to now is 94.5 secs Computing kpt #: 138 total cpu time spent up to now is 95.1 secs Computing kpt #: 139 total cpu time spent up to now is 95.5 secs Computing kpt #: 140 total cpu time spent up to now is 95.9 secs Computing kpt #: 141 total cpu time spent up to now is 96.8 secs Computing kpt #: 142 total cpu time spent up to now is 97.2 secs Computing kpt #: 143 total cpu time spent up to now is 97.6 secs Computing kpt #: 144 total cpu time spent up to now is 98.0 secs Computing kpt #: 145 total cpu time spent up to now is 98.3 secs Computing kpt #: 146 total cpu time spent up to now is 98.9 secs Computing kpt #: 147 total cpu time spent up to now is 99.4 secs Computing kpt #: 148 total cpu time spent up to now is 99.9 secs Computing kpt #: 149 total cpu time spent up to now is 100.5 secs Computing kpt #: 150 total cpu time spent up to now is 100.9 secs Computing kpt #: 151 total cpu time spent up to now is 101.5 secs Computing kpt #: 152 total cpu time spent up to now is 101.8 secs Computing kpt #: 153 total cpu time spent up to now is 102.2 secs Computing kpt #: 154 total cpu time spent up to now is 102.6 secs Computing kpt #: 155 total cpu time spent up to now is 102.9 secs Computing kpt #: 156 total cpu time spent up to now is 103.2 secs Computing kpt #: 157 total cpu time spent up to now is 103.8 secs Computing kpt #: 158 total cpu time spent up to now is 104.2 secs Computing kpt #: 159 total cpu time spent up to now is 104.6 secs Computing kpt #: 160 total cpu time spent up to now is 104.9 secs Computing kpt #: 161 total cpu time spent up to now is 105.3 secs Computing kpt #: 162 total cpu time spent up to now is 105.8 secs Computing kpt #: 163 total cpu time spent up to now is 106.3 secs Computing kpt #: 164 total cpu time spent up to now is 106.6 secs Computing kpt #: 165 total cpu time spent up to now is 107.0 secs Computing kpt #: 166 total cpu time spent up to now is 107.4 secs Computing kpt #: 167 total cpu time spent up to now is 107.8 secs Computing kpt #: 168 total cpu time spent up to now is 108.2 secs Computing kpt #: 169 total cpu time spent up to now is 108.8 secs Computing kpt #: 170 total cpu time spent up to now is 109.1 secs Computing kpt #: 171 total cpu time spent up to now is 109.4 secs Computing kpt #: 172 total cpu time spent up to now is 109.8 secs Computing kpt #: 173 total cpu time spent up to now is 110.1 secs Computing kpt #: 174 total cpu time spent up to now is 110.4 secs Computing kpt #: 175 total cpu time spent up to now is 110.9 secs Computing kpt #: 176 total cpu time spent up to now is 111.3 secs Computing kpt #: 177 total cpu time spent up to now is 111.7 secs Computing kpt #: 178 total cpu time spent up to now is 112.1 secs Computing kpt #: 179 total cpu time spent up to now is 112.6 secs Computing kpt #: 180 total cpu time spent up to now is 113.2 secs Computing kpt #: 181 total cpu time spent up to now is 113.6 secs Computing kpt #: 182 total cpu time spent up to now is 114.1 secs Computing kpt #: 183 total cpu time spent up to now is 114.5 secs Computing kpt #: 184 total cpu time spent up to now is 114.9 secs Computing kpt #: 185 total cpu time spent up to now is 115.2 secs Computing kpt #: 186 total cpu time spent up to now is 115.6 secs Computing kpt #: 187 total cpu time spent up to now is 116.1 secs Computing kpt #: 188 total cpu time spent up to now is 116.5 secs Computing kpt #: 189 total cpu time spent up to now is 116.9 secs Computing kpt #: 190 total cpu time spent up to now is 117.3 secs Computing kpt #: 191 total cpu time spent up to now is 117.6 secs Computing kpt #: 192 total cpu time spent up to now is 117.9 secs Computing kpt #: 193 total cpu time spent up to now is 118.2 secs Computing kpt #: 194 total cpu time spent up to now is 118.5 secs Computing kpt #: 195 total cpu time spent up to now is 118.9 secs Computing kpt #: 196 total cpu time spent up to now is 119.2 secs Computing kpt #: 197 total cpu time spent up to now is 119.5 secs Computing kpt #: 198 total cpu time spent up to now is 120.0 secs Computing kpt #: 199 total cpu time spent up to now is 120.5 secs Computing kpt #: 200 total cpu time spent up to now is 120.9 secs Computing kpt #: 201 total cpu time spent up to now is 121.4 secs Computing kpt #: 202 total cpu time spent up to now is 121.8 secs Computing kpt #: 203 total cpu time spent up to now is 122.2 secs Computing kpt #: 204 total cpu time spent up to now is 122.6 secs Computing kpt #: 205 total cpu time spent up to now is 123.1 secs Computing kpt #: 206 total cpu time spent up to now is 123.8 secs Computing kpt #: 207 total cpu time spent up to now is 124.2 secs Computing kpt #: 208 total cpu time spent up to now is 124.8 secs Computing kpt #: 209 total cpu time spent up to now is 125.2 secs Computing kpt #: 210 total cpu time spent up to now is 125.6 secs Computing kpt #: 211 total cpu time spent up to now is 126.1 secs Computing kpt #: 212 total cpu time spent up to now is 126.6 secs Computing kpt #: 213 total cpu time spent up to now is 126.9 secs Computing kpt #: 214 total cpu time spent up to now is 127.4 secs Computing kpt #: 215 total cpu time spent up to now is 127.8 secs Computing kpt #: 216 total cpu time spent up to now is 128.2 secs Computing kpt #: 217 total cpu time spent up to now is 128.5 secs Computing kpt #: 218 total cpu time spent up to now is 128.9 secs Computing kpt #: 219 total cpu time spent up to now is 129.3 secs Computing kpt #: 220 total cpu time spent up to now is 129.7 secs Computing kpt #: 221 total cpu time spent up to now is 130.2 secs Computing kpt #: 222 total cpu time spent up to now is 130.6 secs Computing kpt #: 223 total cpu time spent up to now is 131.0 secs Computing kpt #: 224 total cpu time spent up to now is 131.4 secs Computing kpt #: 225 total cpu time spent up to now is 131.8 secs Computing kpt #: 226 total cpu time spent up to now is 132.2 secs Computing kpt #: 227 total cpu time spent up to now is 132.7 secs Computing kpt #: 228 total cpu time spent up to now is 133.0 secs Computing kpt #: 229 total cpu time spent up to now is 133.5 secs Computing kpt #: 230 total cpu time spent up to now is 133.9 secs Computing kpt #: 231 total cpu time spent up to now is 134.2 secs Computing kpt #: 232 total cpu time spent up to now is 134.6 secs Computing kpt #: 233 total cpu time spent up to now is 135.0 secs Computing kpt #: 234 total cpu time spent up to now is 135.4 secs Computing kpt #: 235 total cpu time spent up to now is 135.7 secs Computing kpt #: 236 total cpu time spent up to now is 136.1 secs Computing kpt #: 237 total cpu time spent up to now is 136.5 secs Computing kpt #: 238 total cpu time spent up to now is 136.9 secs Computing kpt #: 239 total cpu time spent up to now is 137.3 secs Computing kpt #: 240 total cpu time spent up to now is 137.7 secs Computing kpt #: 241 total cpu time spent up to now is 138.1 secs Computing kpt #: 242 total cpu time spent up to now is 138.8 secs Computing kpt #: 243 total cpu time spent up to now is 139.6 secs Computing kpt #: 244 total cpu time spent up to now is 140.2 secs Computing kpt #: 245 total cpu time spent up to now is 140.7 secs Computing kpt #: 246 total cpu time spent up to now is 141.2 secs Computing kpt #: 247 total cpu time spent up to now is 141.8 secs Computing kpt #: 248 total cpu time spent up to now is 142.2 secs Computing kpt #: 249 total cpu time spent up to now is 142.6 secs Computing kpt #: 250 total cpu time spent up to now is 143.0 secs Computing kpt #: 251 total cpu time spent up to now is 143.4 secs Computing kpt #: 252 total cpu time spent up to now is 143.7 secs Computing kpt #: 253 total cpu time spent up to now is 144.1 secs Computing kpt #: 254 total cpu time spent up to now is 144.5 secs Computing kpt #: 255 total cpu time spent up to now is 144.9 secs Computing kpt #: 256 total cpu time spent up to now is 145.4 secs Computing kpt #: 257 total cpu time spent up to now is 145.7 secs Computing kpt #: 258 total cpu time spent up to now is 146.1 secs Computing kpt #: 259 total cpu time spent up to now is 146.6 secs Computing kpt #: 260 total cpu time spent up to now is 147.2 secs Computing kpt #: 261 total cpu time spent up to now is 147.7 secs Computing kpt #: 262 total cpu time spent up to now is 148.1 secs Computing kpt #: 263 total cpu time spent up to now is 148.4 secs Computing kpt #: 264 total cpu time spent up to now is 148.8 secs Computing kpt #: 265 total cpu time spent up to now is 149.2 secs Computing kpt #: 266 total cpu time spent up to now is 149.6 secs Computing kpt #: 267 total cpu time spent up to now is 150.0 secs Computing kpt #: 268 total cpu time spent up to now is 150.4 secs Computing kpt #: 269 total cpu time spent up to now is 150.8 secs Computing kpt #: 270 total cpu time spent up to now is 151.6 secs Computing kpt #: 271 total cpu time spent up to now is 152.3 secs Computing kpt #: 272 total cpu time spent up to now is 152.8 secs Computing kpt #: 273 total cpu time spent up to now is 153.3 secs Computing kpt #: 274 total cpu time spent up to now is 153.9 secs Computing kpt #: 275 total cpu time spent up to now is 154.5 secs Computing kpt #: 276 total cpu time spent up to now is 154.9 secs Computing kpt #: 277 total cpu time spent up to now is 155.3 secs Computing kpt #: 278 total cpu time spent up to now is 155.7 secs Computing kpt #: 279 total cpu time spent up to now is 156.1 secs Computing kpt #: 280 total cpu time spent up to now is 156.5 secs Computing kpt #: 281 total cpu time spent up to now is 156.9 secs Computing kpt #: 282 total cpu time spent up to now is 157.4 secs Computing kpt #: 283 total cpu time spent up to now is 158.0 secs Computing kpt #: 284 total cpu time spent up to now is 158.5 secs Computing kpt #: 285 total cpu time spent up to now is 158.9 secs Computing kpt #: 286 total cpu time spent up to now is 159.3 secs Computing kpt #: 287 total cpu time spent up to now is 159.7 secs Computing kpt #: 288 total cpu time spent up to now is 160.1 secs Computing kpt #: 289 total cpu time spent up to now is 160.5 secs Computing kpt #: 290 total cpu time spent up to now is 161.1 secs Computing kpt #: 291 total cpu time spent up to now is 161.6 secs Computing kpt #: 292 total cpu time spent up to now is 162.0 secs Computing kpt #: 293 total cpu time spent up to now is 162.5 secs Computing kpt #: 294 total cpu time spent up to now is 163.0 secs Computing kpt #: 295 total cpu time spent up to now is 163.6 secs Computing kpt #: 296 total cpu time spent up to now is 164.0 secs Computing kpt #: 297 total cpu time spent up to now is 164.5 secs Computing kpt #: 298 total cpu time spent up to now is 164.9 secs Computing kpt #: 299 total cpu time spent up to now is 165.3 secs Computing kpt #: 300 total cpu time spent up to now is 165.8 secs Computing kpt #: 301 total cpu time spent up to now is 166.3 secs Computing kpt #: 302 total cpu time spent up to now is 166.7 secs Computing kpt #: 303 total cpu time spent up to now is 168.5 secs Computing kpt #: 304 total cpu time spent up to now is 169.2 secs Computing kpt #: 305 total cpu time spent up to now is 170.0 secs Computing kpt #: 306 total cpu time spent up to now is 171.0 secs Computing kpt #: 307 total cpu time spent up to now is 171.4 secs Computing kpt #: 308 total cpu time spent up to now is 171.8 secs Computing kpt #: 309 total cpu time spent up to now is 172.2 secs Computing kpt #: 310 total cpu time spent up to now is 172.6 secs Computing kpt #: 311 total cpu time spent up to now is 173.0 secs Computing kpt #: 312 total cpu time spent up to now is 173.4 secs Computing kpt #: 313 total cpu time spent up to now is 173.9 secs Computing kpt #: 314 total cpu time spent up to now is 174.3 secs Computing kpt #: 315 total cpu time spent up to now is 174.7 secs Computing kpt #: 316 total cpu time spent up to now is 175.2 secs Computing kpt #: 317 total cpu time spent up to now is 175.6 secs Computing kpt #: 318 total cpu time spent up to now is 176.2 secs Computing kpt #: 319 total cpu time spent up to now is 176.7 secs Computing kpt #: 320 total cpu time spent up to now is 177.2 secs Computing kpt #: 321 total cpu time spent up to now is 177.6 secs Computing kpt #: 322 total cpu time spent up to now is 178.4 secs Computing kpt #: 323 total cpu time spent up to now is 178.9 secs Computing kpt #: 324 total cpu time spent up to now is 179.3 secs Computing kpt #: 325 total cpu time spent up to now is 180.3 secs Computing kpt #: 326 total cpu time spent up to now is 180.8 secs Computing kpt #: 327 total cpu time spent up to now is 181.3 secs Computing kpt #: 328 total cpu time spent up to now is 182.0 secs Computing kpt #: 329 total cpu time spent up to now is 182.4 secs Computing kpt #: 330 total cpu time spent up to now is 182.8 secs Computing kpt #: 331 total cpu time spent up to now is 183.2 secs Computing kpt #: 332 total cpu time spent up to now is 183.5 secs Computing kpt #: 333 total cpu time spent up to now is 183.9 secs Computing kpt #: 334 total cpu time spent up to now is 184.2 secs Computing kpt #: 335 total cpu time spent up to now is 184.6 secs Computing kpt #: 336 total cpu time spent up to now is 185.0 secs Computing kpt #: 337 total cpu time spent up to now is 185.4 secs Computing kpt #: 338 total cpu time spent up to now is 185.7 secs Computing kpt #: 339 total cpu time spent up to now is 186.1 secs Computing kpt #: 340 total cpu time spent up to now is 186.5 secs Computing kpt #: 341 total cpu time spent up to now is 186.9 secs Computing kpt #: 342 total cpu time spent up to now is 187.3 secs Computing kpt #: 343 total cpu time spent up to now is 187.6 secs Computing kpt #: 344 total cpu time spent up to now is 188.0 secs Computing kpt #: 345 total cpu time spent up to now is 188.4 secs Computing kpt #: 346 total cpu time spent up to now is 188.8 secs Computing kpt #: 347 total cpu time spent up to now is 189.2 secs Computing kpt #: 348 total cpu time spent up to now is 189.5 secs Computing kpt #: 349 total cpu time spent up to now is 189.9 secs Computing kpt #: 350 total cpu time spent up to now is 190.3 secs Computing kpt #: 351 total cpu time spent up to now is 190.7 secs Computing kpt #: 352 total cpu time spent up to now is 191.1 secs Computing kpt #: 353 total cpu time spent up to now is 191.4 secs Computing kpt #: 354 total cpu time spent up to now is 191.8 secs Computing kpt #: 355 total cpu time spent up to now is 192.2 secs Computing kpt #: 356 total cpu time spent up to now is 192.5 secs Computing kpt #: 357 total cpu time spent up to now is 192.9 secs Computing kpt #: 358 total cpu time spent up to now is 193.3 secs Computing kpt #: 359 total cpu time spent up to now is 193.8 secs Computing kpt #: 360 total cpu time spent up to now is 194.5 secs Computing kpt #: 361 total cpu time spent up to now is 194.9 secs Computing kpt #: 362 total cpu time spent up to now is 195.5 secs Computing kpt #: 363 total cpu time spent up to now is 196.0 secs Computing kpt #: 364 total cpu time spent up to now is 196.4 secs Computing kpt #: 365 total cpu time spent up to now is 196.9 secs Computing kpt #: 366 total cpu time spent up to now is 197.4 secs Computing kpt #: 367 total cpu time spent up to now is 197.9 secs Computing kpt #: 368 total cpu time spent up to now is 198.3 secs Computing kpt #: 369 total cpu time spent up to now is 198.6 secs Computing kpt #: 370 total cpu time spent up to now is 199.0 secs Computing kpt #: 371 total cpu time spent up to now is 199.4 secs Computing kpt #: 372 total cpu time spent up to now is 199.8 secs Computing kpt #: 373 total cpu time spent up to now is 200.2 secs Computing kpt #: 374 total cpu time spent up to now is 200.5 secs Computing kpt #: 375 total cpu time spent up to now is 200.9 secs Computing kpt #: 376 total cpu time spent up to now is 201.3 secs Computing kpt #: 377 total cpu time spent up to now is 201.7 secs Computing kpt #: 378 total cpu time spent up to now is 202.0 secs Computing kpt #: 379 total cpu time spent up to now is 202.6 secs Computing kpt #: 380 total cpu time spent up to now is 203.3 secs Computing kpt #: 381 total cpu time spent up to now is 203.7 secs Computing kpt #: 382 total cpu time spent up to now is 204.1 secs Computing kpt #: 383 total cpu time spent up to now is 204.8 secs Computing kpt #: 384 total cpu time spent up to now is 205.7 secs Computing kpt #: 385 total cpu time spent up to now is 206.2 secs Computing kpt #: 386 total cpu time spent up to now is 207.0 secs Computing kpt #: 387 total cpu time spent up to now is 207.7 secs Computing kpt #: 388 total cpu time spent up to now is 208.4 secs Computing kpt #: 389 total cpu time spent up to now is 208.9 secs Computing kpt #: 390 total cpu time spent up to now is 209.4 secs Computing kpt #: 391 total cpu time spent up to now is 209.8 secs Computing kpt #: 392 total cpu time spent up to now is 210.2 secs Computing kpt #: 393 total cpu time spent up to now is 210.5 secs Computing kpt #: 394 total cpu time spent up to now is 210.8 secs Computing kpt #: 395 total cpu time spent up to now is 211.1 secs Computing kpt #: 396 total cpu time spent up to now is 211.5 secs Computing kpt #: 397 total cpu time spent up to now is 211.8 secs Computing kpt #: 398 total cpu time spent up to now is 212.1 secs Computing kpt #: 399 total cpu time spent up to now is 212.4 secs Computing kpt #: 400 total cpu time spent up to now is 212.8 secs Computing kpt #: 401 total cpu time spent up to now is 213.2 secs Computing kpt #: 402 total cpu time spent up to now is 213.5 secs Computing kpt #: 403 total cpu time spent up to now is 213.9 secs Computing kpt #: 404 total cpu time spent up to now is 214.3 secs Computing kpt #: 405 total cpu time spent up to now is 214.7 secs Computing kpt #: 406 total cpu time spent up to now is 215.1 secs Computing kpt #: 407 total cpu time spent up to now is 215.5 secs Computing kpt #: 408 total cpu time spent up to now is 215.9 secs Computing kpt #: 409 total cpu time spent up to now is 216.3 secs Computing kpt #: 410 total cpu time spent up to now is 216.7 secs Computing kpt #: 411 total cpu time spent up to now is 217.1 secs Computing kpt #: 412 total cpu time spent up to now is 217.5 secs Computing kpt #: 413 total cpu time spent up to now is 217.9 secs Computing kpt #: 414 total cpu time spent up to now is 218.3 secs Computing kpt #: 415 total cpu time spent up to now is 218.7 secs Computing kpt #: 416 total cpu time spent up to now is 219.1 secs Computing kpt #: 417 total cpu time spent up to now is 219.5 secs Computing kpt #: 418 total cpu time spent up to now is 219.9 secs Computing kpt #: 419 total cpu time spent up to now is 220.3 secs Computing kpt #: 420 total cpu time spent up to now is 220.7 secs Computing kpt #: 421 total cpu time spent up to now is 221.2 secs Computing kpt #: 422 total cpu time spent up to now is 221.6 secs Computing kpt #: 423 total cpu time spent up to now is 222.0 secs Computing kpt #: 424 total cpu time spent up to now is 222.4 secs Computing kpt #: 425 total cpu time spent up to now is 222.8 secs Computing kpt #: 426 total cpu time spent up to now is 223.2 secs Computing kpt #: 427 total cpu time spent up to now is 223.6 secs Computing kpt #: 428 total cpu time spent up to now is 223.9 secs Computing kpt #: 429 total cpu time spent up to now is 224.3 secs Computing kpt #: 430 total cpu time spent up to now is 224.7 secs Computing kpt #: 431 total cpu time spent up to now is 225.2 secs Computing kpt #: 432 total cpu time spent up to now is 225.6 secs Computing kpt #: 433 total cpu time spent up to now is 226.0 secs Computing kpt #: 434 total cpu time spent up to now is 226.4 secs Computing kpt #: 435 total cpu time spent up to now is 226.8 secs Computing kpt #: 436 total cpu time spent up to now is 227.2 secs Computing kpt #: 437 total cpu time spent up to now is 227.9 secs Computing kpt #: 438 total cpu time spent up to now is 228.8 secs Computing kpt #: 439 total cpu time spent up to now is 229.5 secs Computing kpt #: 440 total cpu time spent up to now is 230.0 secs Computing kpt #: 441 total cpu time spent up to now is 230.4 secs Computing kpt #: 442 total cpu time spent up to now is 230.9 secs Computing kpt #: 443 total cpu time spent up to now is 231.4 secs ethr = 4.55E-11, avg # of iterations = 22.5 total cpu time spent up to now is 231.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1323 PWs) bands (ev): -48.7804 -48.7804 -23.0412 -23.0412 -15.4342 -15.4342 -15.1436 -15.1436 -6.0305 -6.0305 3.1059 3.1059 4.2255 4.2255 8.0159 8.0159 8.0195 8.0195 12.5393 12.5393 12.6178 12.6178 13.6998 13.6998 16.1638 16.1638 16.8071 16.8071 17.1364 17.1364 k = 0.0089 0.0052-0.0000 ( 1327 PWs) bands (ev): -48.7804 -48.7804 -23.0414 -23.0414 -15.4344 -15.4344 -15.1441 -15.1441 -6.0298 -6.0298 3.1052 3.1052 4.2266 4.2266 8.0132 8.0132 8.0199 8.0199 12.5387 12.5387 12.6172 12.6172 13.7015 13.7015 16.1538 16.1538 16.8149 16.8149 17.1425 17.1425 k = 0.0179 0.0103-0.0000 ( 1331 PWs) bands (ev): -48.7803 -48.7803 -23.0418 -23.0418 -15.4346 -15.4346 -15.1454 -15.1454 -6.0277 -6.0277 3.1032 3.1032 4.2298 4.2298 8.0049 8.0049 8.0216 8.0216 12.5368 12.5368 12.6152 12.6152 13.7067 13.7067 16.1258 16.1258 16.8353 16.8353 17.1616 17.1616 k = 0.0268 0.0155-0.0000 ( 1335 PWs) bands (ev): -48.7802 -48.7802 -23.0423 -23.0423 -15.4350 -15.4350 -15.1474 -15.1474 -6.0243 -6.0243 3.0999 3.0999 4.2352 4.2352 7.9910 7.9910 8.0244 8.0244 12.5334 12.5334 12.6123 12.6123 13.7150 13.7150 16.0846 16.0846 16.8624 16.8624 17.1952 17.1952 k = 0.0357 0.0206-0.0000 ( 1335 PWs) bands (ev): -48.7800 -48.7800 -23.0429 -23.0429 -15.4354 -15.4354 -15.1502 -15.1502 -6.0195 -6.0195 3.0953 3.0953 4.2426 4.2426 7.9718 7.9718 8.0284 8.0284 12.5284 12.5284 12.6084 12.6084 13.7261 13.7261 16.0357 16.0357 16.8898 16.8898 17.2443 17.2443 k = 0.0446 0.0258-0.0000 ( 1335 PWs) bands (ev): -48.7798 -48.7798 -23.0437 -23.0437 -15.4360 -15.4360 -15.1537 -15.1537 -6.0133 -6.0133 3.0895 3.0895 4.2522 4.2522 7.9475 7.9475 8.0335 8.0335 12.5213 12.5213 12.6041 12.6041 13.7395 13.7395 15.9831 15.9831 16.9143 16.9143 17.3083 17.3083 k = 0.0536 0.0309-0.0000 ( 1335 PWs) bands (ev): -48.7796 -48.7796 -23.0447 -23.0447 -15.4367 -15.4367 -15.1580 -15.1580 -6.0058 -6.0058 3.0823 3.0823 4.2638 4.2638 7.9183 7.9183 8.0397 8.0397 12.5120 12.5120 12.5996 12.5996 13.7543 13.7543 15.9303 15.9303 16.9352 16.9352 17.3853 17.3853 k = 0.0625 0.0361-0.0000 ( 1335 PWs) bands (ev): -48.7793 -48.7793 -23.0458 -23.0458 -15.4375 -15.4375 -15.1630 -15.1630 -5.9970 -5.9970 3.0740 3.0740 4.2773 4.2773 7.8846 7.8846 8.0469 8.0469 12.5001 12.5001 12.5952 12.5952 13.7698 13.7698 15.8794 15.8794 16.9533 16.9533 17.4726 17.4726 k = 0.0714 0.0412-0.0000 ( 1335 PWs) bands (ev): -48.7789 -48.7789 -23.0471 -23.0471 -15.4385 -15.4385 -15.1687 -15.1687 -5.9869 -5.9869 3.0645 3.0645 4.2928 4.2928 7.8467 7.8467 8.0552 8.0552 12.4857 12.4857 12.5910 12.5910 13.7852 13.7852 15.8324 15.8324 16.9695 16.9695 17.5679 17.5679 k = 0.0804 0.0464-0.0000 ( 1335 PWs) bands (ev): -48.7785 -48.7785 -23.0486 -23.0486 -15.4397 -15.4397 -15.1750 -15.1750 -5.9756 -5.9756 3.0538 3.0538 4.3102 4.3102 7.8048 7.8048 8.0645 8.0645 12.4688 12.4688 12.5869 12.5869 13.7992 13.7992 15.7908 15.7908 16.9849 16.9849 17.6694 17.6694 k = 0.0893 0.0515-0.0000 ( 1335 PWs) bands (ev): -48.7781 -48.7781 -23.0502 -23.0502 -15.4411 -15.4411 -15.1819 -15.1819 -5.9631 -5.9631 3.0420 3.0420 4.3293 4.3293 7.7595 7.7595 8.0747 8.0747 12.4496 12.4496 12.5828 12.5828 13.8111 13.8111 15.7558 15.7558 17.0000 17.0000 17.7757 17.7757 k = 0.0982 0.0567-0.0000 ( 1333 PWs) bands (ev): -48.7776 -48.7776 -23.0519 -23.0519 -15.4426 -15.4426 -15.1893 -15.1893 -5.9495 -5.9495 3.0292 3.0292 4.3501 4.3501 7.7111 7.7111 8.0859 8.0859 12.4282 12.4282 12.5788 12.5788 13.8198 13.8198 15.7283 15.7283 17.0155 17.0155 17.8861 17.8861 k = 0.1071 0.0619-0.0000 ( 1334 PWs) bands (ev): -48.7771 -48.7771 -23.0538 -23.0538 -15.4444 -15.4444 -15.1972 -15.1972 -5.9347 -5.9347 3.0154 3.0154 4.3726 4.3726 7.6599 7.6599 8.0980 8.0980 12.4048 12.4048 12.5745 12.5745 13.8244 13.8244 15.7091 15.7091 17.0317 17.0317 17.9997 17.9997 k = 0.1161 0.0670-0.0000 ( 1338 PWs) bands (ev): -48.7766 -48.7766 -23.0560 -23.0560 -15.4465 -15.4465 -15.2056 -15.2056 -5.9189 -5.9189 3.0006 3.0006 4.3965 4.3965 7.6064 7.6064 8.1108 8.1108 12.3796 12.3796 12.5699 12.5699 13.8243 13.8243 15.6987 15.6987 17.0488 17.0488 18.1160 18.1160 k = 0.1250 0.0722-0.0000 ( 1342 PWs) bands (ev): -48.7760 -48.7760 -23.0582 -23.0582 -15.4489 -15.4489 -15.2143 -15.2143 -5.9021 -5.9021 2.9850 2.9850 4.4218 4.4218 7.5510 7.5510 8.1245 8.1245 12.3529 12.3529 12.5649 12.5649 13.8191 13.8191 15.6972 15.6972 17.0669 17.0669 18.2343 18.2343 k = 0.1339 0.0773-0.0000 ( 1338 PWs) bands (ev): -48.7754 -48.7754 -23.0605 -23.0605 -15.4515 -15.4515 -15.2232 -15.2232 -5.8844 -5.8844 2.9685 2.9685 4.4484 4.4484 7.4939 7.4939 8.1389 8.1389 12.3248 12.3248 12.5593 12.5593 13.8086 13.8086 15.7046 15.7046 17.0864 17.0864 18.3540 18.3540 k = 0.1429 0.0825-0.0000 ( 1334 PWs) bands (ev): -48.7747 -48.7747 -23.0628 -23.0628 -15.4545 -15.4545 -15.2323 -15.2323 -5.8658 -5.8658 2.9513 2.9513 4.4761 4.4761 7.4356 7.4356 8.1539 8.1539 12.2955 12.2955 12.5531 12.5531 13.7929 13.7929 15.7204 15.7204 17.1072 17.1072 18.4738 18.4738 k = 0.1518 0.0876-0.0000 ( 1338 PWs) bands (ev): -48.7740 -48.7740 -23.0655 -23.0655 -15.4580 -15.4580 -15.2415 -15.2415 -5.8464 -5.8464 2.9333 2.9333 4.5049 4.5049 7.3764 7.3764 8.1696 8.1696 12.2651 12.2651 12.5462 12.5462 13.7723 13.7723 15.7439 15.7439 17.1296 17.1296 18.5911 18.5911 k = 0.1607 0.0928-0.0000 ( 1334 PWs) bands (ev): -48.7733 -48.7733 -23.0681 -23.0681 -15.4617 -15.4617 -15.2507 -15.2507 -5.8262 -5.8262 2.9148 2.9148 4.5345 4.5345 7.3166 7.3166 8.1858 8.1858 12.2339 12.2339 12.5386 12.5386 13.7475 13.7475 15.7744 15.7744 17.1536 17.1536 18.7004 18.7004 k = 0.1696 0.0979-0.0000 ( 1334 PWs) bands (ev): -48.7726 -48.7726 -23.0708 -23.0708 -15.4661 -15.4661 -15.2599 -15.2599 -5.8054 -5.8054 2.8956 2.8956 4.5648 4.5648 7.2566 7.2566 8.2025 8.2025 12.2019 12.2019 12.5302 12.5302 13.7189 13.7189 15.8109 15.8109 17.1792 17.1792 18.7899 18.7899 k = 0.1786 0.1031-0.0000 ( 1334 PWs) bands (ev): -48.7718 -48.7718 -23.0737 -23.0737 -15.4709 -15.4709 -15.2688 -15.2688 -5.7839 -5.7839 2.8760 2.8760 4.5956 4.5956 7.1966 7.1966 8.2196 8.2196 12.1693 12.1693 12.5209 12.5209 13.6874 13.6874 15.8525 15.8525 17.2066 17.2066 18.8491 18.8491 k = 0.1875 0.1083-0.0000 ( 1330 PWs) bands (ev): -48.7710 -48.7710 -23.0766 -23.0766 -15.4763 -15.4763 -15.2775 -15.2775 -5.7619 -5.7619 2.8559 2.8559 4.6269 4.6269 7.1370 7.1370 8.2371 8.2371 12.1363 12.1363 12.5108 12.5108 13.6536 13.6536 15.8981 15.8981 17.2358 17.2358 18.8852 18.8852 k = 0.1964 0.1134-0.0000 ( 1330 PWs) bands (ev): -48.7703 -48.7703 -23.0796 -23.0796 -15.4824 -15.4824 -15.2858 -15.2858 -5.7394 -5.7394 2.8355 2.8355 4.6583 4.6583 7.0779 7.0779 8.2549 8.2549 12.1029 12.1029 12.4999 12.4999 13.6182 13.6182 15.9469 15.9469 17.2668 17.2668 18.9110 18.9110 k = 0.2054 0.1186-0.0000 ( 1332 PWs) bands (ev): -48.7694 -48.7694 -23.0827 -23.0827 -15.4891 -15.4891 -15.2937 -15.2937 -5.7165 -5.7165 2.8148 2.8148 4.6898 4.6898 7.0197 7.0197 8.2729 8.2729 12.0694 12.0694 12.4882 12.4882 13.5818 13.5818 15.9980 15.9980 17.2997 17.2997 18.9335 18.9335 k = 0.2143 0.1237-0.0000 ( 1338 PWs) bands (ev): -48.7686 -48.7686 -23.0860 -23.0860 -15.4964 -15.4964 -15.3013 -15.3013 -5.6933 -5.6933 2.7938 2.7938 4.7211 4.7211 6.9626 6.9626 8.2910 8.2910 12.0357 12.0357 12.4756 12.4756 13.5450 13.5450 16.0507 16.0507 17.3344 17.3344 18.9556 18.9556 k = 0.2232 0.1289-0.0000 ( 1330 PWs) bands (ev): -48.7678 -48.7678 -23.0890 -23.0890 -15.5043 -15.5043 -15.3080 -15.3080 -5.6698 -5.6698 2.7727 2.7727 4.7520 4.7520 6.9069 6.9069 8.3093 8.3093 12.0021 12.0021 12.4622 12.4622 13.5083 13.5083 16.1044 16.1044 17.3711 17.3711 18.9785 18.9785 k = 0.2321 0.1340-0.0000 ( 1332 PWs) bands (ev): -48.7669 -48.7669 -23.0922 -23.0922 -15.5128 -15.5128 -15.3144 -15.3144 -5.6462 -5.6462 2.7515 2.7515 4.7824 4.7824 6.8526 6.8526 8.3275 8.3275 11.9686 11.9686 12.4481 12.4481 13.4722 13.4722 16.1584 16.1584 17.4097 17.4097 19.0029 19.0029 k = 0.2411 0.1392-0.0000 ( 1330 PWs) bands (ev): -48.7661 -48.7661 -23.0954 -23.0954 -15.5219 -15.5219 -15.3202 -15.3202 -5.6225 -5.6225 2.7303 2.7303 4.8121 4.8121 6.8002 6.8002 8.3458 8.3458 11.9354 11.9354 12.4333 12.4333 13.4370 13.4370 16.2123 16.2123 17.4501 17.4501 19.0290 19.0290 k = 0.2500 0.1443-0.0000 ( 1330 PWs) bands (ev): -48.7652 -48.7652 -23.0987 -23.0987 -15.5315 -15.5315 -15.3255 -15.3255 -5.5987 -5.5987 2.7091 2.7091 4.8408 4.8408 6.7496 6.7496 8.3640 8.3640 11.9025 11.9025 12.4178 12.4178 13.4031 13.4031 16.2658 16.2658 17.4924 17.4924 19.0569 19.0569 k = 0.2589 0.1495-0.0000 ( 1330 PWs) bands (ev): -48.7644 -48.7644 -23.1019 -23.1019 -15.5415 -15.5415 -15.3302 -15.3302 -5.5749 -5.5749 2.6880 2.6880 4.8684 4.8684 6.7012 6.7012 8.3820 8.3820 11.8701 11.8701 12.4018 12.4018 13.3706 13.3706 16.3184 16.3184 17.5364 17.5364 19.0868 19.0868 k = 0.2679 0.1546-0.0000 ( 1330 PWs) bands (ev): -48.7636 -48.7636 -23.1052 -23.1052 -15.5520 -15.5520 -15.3345 -15.3345 -5.5513 -5.5513 2.6671 2.6671 4.8946 4.8946 6.6551 6.6551 8.3998 8.3998 11.8382 11.8382 12.3853 12.3853 13.3399 13.3399 16.3701 16.3701 17.5821 17.5821 19.1185 19.1185 k = 0.2768 0.1598-0.0000 ( 1330 PWs) bands (ev): -48.7627 -48.7627 -23.1084 -23.1084 -15.5627 -15.5627 -15.3383 -15.3383 -5.5279 -5.5279 2.6464 2.6464 4.9194 4.9194 6.6114 6.6114 8.4173 8.4173 11.8069 11.8069 12.3684 12.3684 13.3112 13.3112 16.4205 16.4205 17.6295 17.6295 19.1518 19.1518 k = 0.2857 0.1650-0.0000 ( 1334 PWs) bands (ev): -48.7619 -48.7619 -23.1117 -23.1117 -15.5736 -15.5736 -15.3417 -15.3417 -5.5047 -5.5047 2.6260 2.6260 4.9425 4.9425 6.5703 6.5703 8.4345 8.4345 11.7763 11.7763 12.3511 12.3511 13.2845 13.2845 16.4696 16.4696 17.6783 17.6783 19.1868 19.1868 k = 0.2946 0.1701-0.0000 ( 1332 PWs) bands (ev): -48.7611 -48.7611 -23.1149 -23.1149 -15.5846 -15.5846 -15.3446 -15.3446 -5.4819 -5.4819 2.6060 2.6060 4.9638 4.9638 6.5319 6.5319 8.4513 8.4513 11.7464 11.7464 12.3337 12.3337 13.2599 13.2599 16.5172 16.5172 17.7286 17.7286 19.2232 19.2232 k = 0.3036 0.1753-0.0000 ( 1328 PWs) bands (ev): -48.7602 -48.7602 -23.1179 -23.1179 -15.5956 -15.5956 -15.3472 -15.3472 -5.4594 -5.4594 2.5864 2.5864 4.9832 4.9832 6.4963 6.4963 8.4678 8.4678 11.7174 11.7174 12.3161 12.3161 13.2376 13.2376 16.5634 16.5634 17.7801 17.7801 19.2608 19.2608 k = 0.3125 0.1804-0.0000 ( 1336 PWs) bands (ev): -48.7595 -48.7595 -23.1212 -23.1212 -15.6067 -15.6067 -15.3497 -15.3497 -5.4374 -5.4374 2.5672 2.5672 5.0006 5.0006 6.4634 6.4634 8.4837 8.4837 11.6892 11.6892 12.2984 12.2984 13.2175 13.2175 16.6080 16.6080 17.8326 17.8326 19.2994 19.2994 k = 0.3214 0.1856-0.0000 ( 1336 PWs) bands (ev): -48.7587 -48.7587 -23.1242 -23.1242 -15.6176 -15.6176 -15.3518 -15.3518 -5.4160 -5.4160 2.5486 2.5486 5.0160 5.0160 6.4335 6.4335 8.4992 8.4992 11.6621 11.6621 12.2809 12.2809 13.1997 13.1997 16.6511 16.6511 17.8860 17.8860 19.3389 19.3389 k = 0.3304 0.1907-0.0000 ( 1340 PWs) bands (ev): -48.7579 -48.7579 -23.1272 -23.1272 -15.6284 -15.6284 -15.3537 -15.3537 -5.3951 -5.3951 2.5305 2.5305 5.0292 5.0292 6.4063 6.4063 8.5141 8.5141 11.6359 11.6359 12.2635 12.2635 13.1840 13.1840 16.6928 16.6928 17.9400 17.9400 19.3788 19.3788 k = 0.3393 0.1959-0.0000 ( 1338 PWs) bands (ev): -48.7572 -48.7572 -23.1300 -23.1300 -15.6389 -15.6389 -15.3553 -15.3553 -5.3749 -5.3749 2.5131 2.5131 5.0404 5.0404 6.3820 6.3820 8.5284 8.5284 11.6107 11.6107 12.2463 12.2463 13.1705 13.1705 16.7329 16.7329 17.9945 17.9945 19.4191 19.4191 k = 0.3482 0.2010-0.0000 ( 1334 PWs) bands (ev): -48.7565 -48.7565 -23.1327 -23.1327 -15.6491 -15.6491 -15.3567 -15.3567 -5.3555 -5.3555 2.4963 2.4963 5.0495 5.0495 6.3604 6.3604 8.5421 8.5421 11.5867 11.5867 12.2295 12.2295 13.1591 13.1591 16.7716 16.7716 18.0491 18.0491 19.4594 19.4594 k = 0.3571 0.2062-0.0000 ( 1334 PWs) bands (ev): -48.7558 -48.7558 -23.1353 -23.1353 -15.6590 -15.6590 -15.3579 -15.3579 -5.3368 -5.3368 2.4802 2.4802 5.0567 5.0567 6.3414 6.3414 8.5551 8.5551 11.5639 11.5639 12.2131 12.2131 13.1496 13.1496 16.8089 16.8089 18.1035 18.1035 19.4995 19.4995 k = 0.3661 0.2114-0.0000 ( 1332 PWs) bands (ev): -48.7552 -48.7552 -23.1378 -23.1378 -15.6685 -15.6685 -15.3590 -15.3590 -5.3189 -5.3189 2.4649 2.4649 5.0622 5.0622 6.3248 6.3248 8.5675 8.5675 11.5422 11.5422 12.1973 12.1973 13.1420 13.1420 16.8447 16.8447 18.1574 18.1574 19.5390 19.5390 k = 0.3750 0.2165-0.0000 ( 1332 PWs) bands (ev): -48.7545 -48.7545 -23.1402 -23.1402 -15.6776 -15.6776 -15.3599 -15.3599 -5.3019 -5.3019 2.4504 2.4504 5.0659 5.0659 6.3106 6.3106 8.5791 8.5791 11.5217 11.5217 12.1821 12.1821 13.1360 13.1360 16.8790 16.8790 18.2106 18.2106 19.5778 19.5778 k = 0.3839 0.2217-0.0000 ( 1332 PWs) bands (ev): -48.7540 -48.7540 -23.1425 -23.1425 -15.6863 -15.6863 -15.3608 -15.3608 -5.2859 -5.2859 2.4367 2.4367 5.0683 5.0683 6.2984 6.2984 8.5901 8.5901 11.5026 11.5026 12.1676 12.1676 13.1315 13.1315 16.9119 16.9119 18.2625 18.2625 19.6155 19.6155 k = 0.3929 0.2268-0.0000 ( 1332 PWs) bands (ev): -48.7534 -48.7534 -23.1446 -23.1446 -15.6944 -15.6944 -15.3615 -15.3615 -5.2709 -5.2709 2.4239 2.4239 5.0694 5.0694 6.2882 6.2882 8.6003 8.6003 11.4847 11.4847 12.1538 12.1538 13.1284 13.1284 16.9432 16.9432 18.3129 18.3129 19.6518 19.6518 k = 0.4018 0.2320-0.0000 ( 1332 PWs) bands (ev): -48.7529 -48.7529 -23.1466 -23.1466 -15.7020 -15.7020 -15.3622 -15.3622 -5.2568 -5.2568 2.4120 2.4120 5.0694 5.0694 6.2796 6.2796 8.6097 8.6097 11.4681 11.4681 12.1409 12.1409 13.1265 13.1265 16.9728 16.9728 18.3614 18.3614 19.6865 19.6865 k = 0.4107 0.2371-0.0000 ( 1336 PWs) bands (ev): -48.7524 -48.7524 -23.1485 -23.1485 -15.7091 -15.7091 -15.3628 -15.3628 -5.2439 -5.2439 2.4010 2.4010 5.0686 5.0686 6.2726 6.2726 8.6184 8.6184 11.4529 11.4529 12.1289 12.1289 13.1255 13.1255 17.0008 17.0008 18.4076 18.4076 19.7193 19.7193 k = 0.4196 0.2423-0.0000 ( 1340 PWs) bands (ev): -48.7520 -48.7520 -23.1503 -23.1503 -15.7156 -15.7156 -15.3633 -15.3633 -5.2321 -5.2321 2.3910 2.3910 5.0671 5.0671 6.2669 6.2669 8.6262 8.6262 11.4391 11.4391 12.1178 12.1178 13.1253 13.1253 17.0268 17.0268 18.4509 18.4509 19.7499 19.7499 k = 0.4286 0.2474-0.0000 ( 1342 PWs) bands (ev): -48.7516 -48.7516 -23.1519 -23.1519 -15.7215 -15.7215 -15.3637 -15.3637 -5.2214 -5.2214 2.3819 2.3819 5.0653 5.0653 6.2622 6.2622 8.6333 8.6333 11.4267 11.4267 12.1078 12.1078 13.1257 13.1257 17.0508 17.0508 18.4911 18.4911 19.7781 19.7781 k = 0.4375 0.2526-0.0000 ( 1338 PWs) bands (ev): -48.7513 -48.7513 -23.1532 -23.1532 -15.7266 -15.7266 -15.3640 -15.3640 -5.2119 -5.2119 2.3739 2.3739 5.0632 5.0632 6.2586 6.2586 8.6395 8.6395 11.4157 11.4157 12.0988 12.0988 13.1266 13.1266 17.0726 17.0726 18.5277 18.5277 19.8037 19.8037 k = 0.4464 0.2577-0.0000 ( 1330 PWs) bands (ev): -48.7509 -48.7509 -23.1542 -23.1542 -15.7309 -15.7309 -15.3642 -15.3642 -5.2036 -5.2036 2.3669 2.3669 5.0610 5.0610 6.2557 6.2557 8.6450 8.6450 11.4061 11.4061 12.0909 12.0909 13.1277 13.1277 17.0920 17.0920 18.5604 18.5604 19.8263 19.8263 k = 0.4554 0.2629-0.0000 ( 1326 PWs) bands (ev): -48.7507 -48.7507 -23.1551 -23.1551 -15.7348 -15.7348 -15.3644 -15.3644 -5.1965 -5.1965 2.3610 2.3610 5.0589 5.0589 6.2535 6.2535 8.6496 8.6496 11.3980 11.3980 12.0842 12.0842 13.1289 13.1289 17.1089 17.1089 18.5887 18.5887 19.8459 19.8459 k = 0.4643 0.2681-0.0000 ( 1328 PWs) bands (ev): -48.7505 -48.7505 -23.1560 -23.1560 -15.7379 -15.7379 -15.3646 -15.3646 -5.1907 -5.1907 2.3561 2.3561 5.0570 5.0570 6.2519 6.2519 8.6533 8.6533 11.3913 11.3913 12.0787 12.0787 13.1301 13.1301 17.1230 17.1230 18.6124 18.6124 19.8622 19.8622 k = 0.4732 0.2732-0.0000 ( 1328 PWs) bands (ev): -48.7503 -48.7503 -23.1566 -23.1566 -15.7404 -15.7404 -15.3648 -15.3648 -5.1862 -5.1862 2.3523 2.3523 5.0555 5.0555 6.2507 6.2507 8.6563 8.6563 11.3861 11.3861 12.0743 12.0743 13.1312 13.1312 17.1341 17.1341 18.6311 18.6311 19.8750 19.8750 k = 0.4821 0.2784-0.0000 ( 1332 PWs) bands (ev): -48.7502 -48.7502 -23.1572 -23.1572 -15.7423 -15.7423 -15.3649 -15.3649 -5.1830 -5.1830 2.3496 2.3496 5.0543 5.0543 6.2499 6.2499 8.6584 8.6584 11.3824 11.3824 12.0712 12.0712 13.1320 13.1320 17.1422 17.1422 18.6446 18.6446 19.8842 19.8842 k = 0.4911 0.2835-0.0000 ( 1332 PWs) bands (ev): -48.7501 -48.7501 -23.1575 -23.1575 -15.7434 -15.7434 -15.3650 -15.3650 -5.1810 -5.1810 2.3479 2.3479 5.0535 5.0535 6.2494 6.2494 8.6597 8.6597 11.3802 11.3802 12.0693 12.0693 13.1325 13.1325 17.1471 17.1471 18.6528 18.6528 19.8898 19.8898 k = 0.5000 0.2887-0.0000 ( 1334 PWs) bands (ev): -48.7501 -48.7501 -23.1576 -23.1576 -15.7437 -15.7437 -15.3650 -15.3650 -5.1804 -5.1804 2.3474 2.3474 5.0533 5.0533 6.2493 6.2493 8.6601 8.6601 11.3794 11.3794 12.0687 12.0687 13.1327 13.1327 17.1487 17.1487 18.6556 18.6556 19.8917 19.8917 k = 0.5000 0.2887-0.0000 ( 1334 PWs) bands (ev): -48.7501 -48.7501 -23.1576 -23.1576 -15.7437 -15.7437 -15.3650 -15.3650 -5.1804 -5.1804 2.3474 2.3474 5.0533 5.0533 6.2493 6.2493 8.6601 8.6601 11.3794 11.3794 12.0687 12.0687 13.1327 13.1327 17.1487 17.1487 18.6556 18.6556 19.8917 19.8917 k = 0.4949 0.2974-0.0000 ( 1332 PWs) bands (ev): -48.7501 -48.7501 -23.1584 -23.1567 -15.7462 -15.7410 -15.3658 -15.3647 -5.1846 -5.1757 2.3470 2.3476 5.0516 5.0575 6.2478 6.2510 8.6489 8.6665 11.3624 11.3759 12.0735 12.0857 13.1280 13.1399 17.1348 17.1535 18.6397 18.6803 19.8814 19.8990 k = 0.4899 0.3062-0.0000 ( 1332 PWs) bands (ev): -48.7501 -48.7501 -23.1594 -23.1560 -15.7485 -15.7382 -15.3672 -15.3649 -5.1883 -5.1706 2.3465 2.3478 5.0524 5.0643 6.2466 6.2530 8.6331 8.6682 11.3276 11.3527 12.0993 12.1217 13.1258 13.1495 17.1122 17.1488 18.6330 18.7131 19.8681 19.9032 k = 0.4848 0.3149-0.0000 ( 1336 PWs) bands (ev): -48.7500 -48.7500 -23.1604 -23.1553 -15.7506 -15.7351 -15.3691 -15.3657 -5.1916 -5.1651 2.3459 2.3478 5.0557 5.0737 6.2458 6.2552 8.6127 8.6650 11.2797 11.3136 12.1423 12.1721 13.1262 13.1614 17.0819 17.1345 18.6356 18.7534 19.8522 19.9043 k = 0.4798 0.3237-0.0000 ( 1336 PWs) bands (ev): -48.7500 -48.7500 -23.1614 -23.1547 -15.7526 -15.7319 -15.3714 -15.3670 -5.1944 -5.1592 2.3453 2.3477 5.0613 5.0856 6.2454 6.2577 8.5879 8.6572 11.2231 11.2632 12.1977 12.2325 13.1291 13.1757 17.0447 17.1109 18.6470 18.8000 19.8338 19.9023 k = 0.4747 0.3324-0.0000 ( 1336 PWs) bands (ev): -48.7499 -48.7499 -23.1625 -23.1541 -15.7543 -15.7284 -15.3741 -15.3688 -5.1967 -5.1530 2.3445 2.3475 5.0693 5.0999 6.2454 6.2603 8.5589 8.6448 11.1609 11.2055 12.2614 12.2996 13.1345 13.1922 17.0014 17.0787 18.6667 18.8522 19.8132 19.8975 k = 0.4697 0.3412-0.0000 ( 1332 PWs) bands (ev): -48.7498 -48.7498 -23.1635 -23.1534 -15.7559 -15.7247 -15.3771 -15.3711 -5.1986 -5.1463 2.3436 2.3472 5.0795 5.1168 6.2459 6.2632 8.5258 8.6278 11.0956 11.1435 12.3307 12.3710 13.1425 13.2109 16.9529 17.0387 18.6939 18.9091 19.7908 19.8900 k = 0.4646 0.3499-0.0000 ( 1332 PWs) bands (ev): -48.7497 -48.7497 -23.1646 -23.1529 -15.7574 -15.7208 -15.3806 -15.3739 -5.2000 -5.1394 2.3426 2.3468 5.0918 5.1360 6.2469 6.2663 8.4890 8.6065 11.0287 11.0790 12.4032 12.4450 13.1531 13.2318 16.8998 16.9917 18.7276 18.9699 19.7670 19.8801 k = 0.4596 0.3587-0.0000 ( 1336 PWs) bands (ev): -48.7496 -48.7496 -23.1658 -23.1526 -15.7588 -15.7168 -15.3845 -15.3774 -5.2010 -5.1322 2.3414 2.3463 5.1061 5.1574 6.2486 6.2695 8.4486 8.5811 10.9612 11.0135 12.4777 12.5205 13.1662 13.2548 16.8430 16.9387 18.7669 19.0337 19.7420 19.8681 k = 0.4545 0.3674-0.0000 ( 1336 PWs) bands (ev): -48.7495 -48.7495 -23.1670 -23.1522 -15.7600 -15.7125 -15.3886 -15.3813 -5.2015 -5.1247 2.3402 2.3456 5.1221 5.1811 6.2509 6.2731 8.4049 8.5518 10.8941 10.9479 12.5531 12.5965 13.1818 13.2798 16.7828 16.8804 18.8108 19.1001 19.7162 19.8545 k = 0.4495 0.3762-0.0000 ( 1332 PWs) bands (ev): -48.7494 -48.7494 -23.1681 -23.1518 -15.7610 -15.7080 -15.3929 -15.3856 -5.2016 -5.1170 2.3389 2.3449 5.1398 5.2068 6.2541 6.2769 8.3582 8.5188 10.8277 10.8828 12.6284 12.6725 13.1998 13.3068 16.7197 16.8178 18.8585 19.1684 19.6899 19.8395 k = 0.4444 0.3849-0.0000 ( 1328 PWs) bands (ev): -48.7492 -48.7492 -23.1692 -23.1515 -15.7620 -15.7033 -15.3974 -15.3904 -5.2013 -5.1092 2.3375 2.3440 5.1589 5.2344 6.2581 6.2810 8.3087 8.4825 10.7627 10.8189 12.7032 12.7477 13.2203 13.3357 16.6543 16.7515 18.9093 19.2381 19.6636 19.8237 k = 0.4394 0.3936-0.0000 ( 1324 PWs) bands (ev): -48.7491 -48.7491 -23.1703 -23.1512 -15.7628 -15.6983 -15.4022 -15.3957 -5.2007 -5.1011 2.3361 2.3430 5.1793 5.2637 6.2630 6.2854 8.2569 8.4431 10.6993 10.7564 12.7769 12.8219 13.2430 13.3666 16.5868 16.6820 18.9624 19.3087 19.6375 19.8073 k = 0.4343 0.4024-0.0000 ( 1324 PWs) bands (ev): -48.7489 -48.7489 -23.1715 -23.1510 -15.7636 -15.6933 -15.4071 -15.4014 -5.1997 -5.0930 2.3345 2.3420 5.2006 5.2946 6.2690 6.2903 8.2029 8.4009 10.6377 10.6957 12.8490 12.8944 13.2679 13.3993 16.5177 16.6101 19.0171 19.3795 19.6120 19.7909 k = 0.4293 0.4111-0.0000 ( 1328 PWs) bands (ev): -48.7487 -48.7487 -23.1728 -23.1509 -15.7644 -15.6881 -15.4121 -15.4076 -5.1983 -5.0849 2.3328 2.3408 5.2227 5.3267 6.2762 6.2957 8.1471 8.3564 10.5783 10.6370 12.9192 12.9651 13.2950 13.4337 16.4472 16.5361 19.0727 19.4501 19.5875 19.7750 k = 0.4242 0.4199-0.0000 ( 1332 PWs) bands (ev): -48.7486 -48.7486 -23.1741 -23.1510 -15.7652 -15.6827 -15.4172 -15.4142 -5.1967 -5.0767 2.3311 2.3396 5.2452 5.3599 6.2847 6.3018 8.0898 8.3098 10.5212 10.5806 12.9872 13.0335 13.3241 13.4697 16.3757 16.4604 19.1287 19.5193 19.5644 19.7606 k = 0.4192 0.4286-0.0000 ( 1328 PWs) bands (ev): -48.7484 -48.7484 -23.1752 -23.1508 -15.7659 -15.6772 -15.4222 -15.4210 -5.1948 -5.0686 2.3293 2.3382 5.2679 5.3939 6.2945 6.3085 8.0314 8.2615 10.4666 10.5266 13.0528 13.0995 13.3551 13.5073 16.3035 16.3836 19.1843 19.5433 19.5851 19.7497 k = 0.4141 0.4374-0.0000 ( 1326 PWs) bands (ev): -48.7482 -48.7482 -23.1763 -23.1508 -15.7665 -15.6714 -15.4281 -15.4271 -5.1927 -5.0606 2.3275 2.3368 5.2906 5.4283 6.3057 6.3161 7.9721 8.2119 10.4147 10.4751 13.1158 13.1626 13.3878 13.5461 16.2308 16.3060 19.2383 19.5248 19.6409 19.7487 k = 0.4091 0.4461-0.0000 ( 1322 PWs) bands (ev): -48.7480 -48.7480 -23.1774 -23.1508 -15.7671 -15.6655 -15.4355 -15.4320 -5.1903 -5.0527 2.3256 2.3354 5.3129 5.4628 6.3184 6.3247 7.9122 8.1614 10.3654 10.4264 13.1760 13.2229 13.4219 13.5861 16.1581 16.2280 19.2891 19.5106 19.6697 19.7745 k = 0.4040 0.4549-0.0000 ( 1323 PWs) bands (ev): -48.7479 -48.7479 -23.1786 -23.1509 -15.7678 -15.6595 -15.4432 -15.4367 -5.1879 -5.0450 2.3237 2.3338 5.3346 5.4971 6.3327 6.3344 7.8521 8.1104 10.3190 10.3804 13.2334 13.2800 13.4573 13.6270 16.0857 16.1499 19.3334 19.5036 19.6718 19.8264 k = 0.3990 0.4636-0.0000 ( 1321 PWs) bands (ev): -48.7477 -48.7477 -23.1796 -23.1510 -15.7684 -15.6534 -15.4510 -15.4412 -5.1853 -5.0375 2.3218 2.3323 5.3553 5.5306 6.3454 6.3484 7.7922 8.0593 10.2756 10.3374 13.2877 13.3338 13.4937 13.6685 16.0139 16.0723 19.3655 19.5092 19.6653 19.8863 k = 0.3939 0.4724-0.0000 ( 1325 PWs) bands (ev): -48.7475 -48.7475 -23.1807 -23.1512 -15.7691 -15.6473 -15.4590 -15.4456 -5.1826 -5.0303 2.3199 2.3307 5.3750 5.5631 6.3579 6.3655 7.7328 8.0085 10.2351 10.2974 13.3388 13.3841 13.5308 13.7104 15.9432 15.9954 19.3809 19.5316 19.6571 19.9469 k = 0.3889 0.4811-0.0000 ( 1325 PWs) bands (ev): -48.7473 -48.7473 -23.1817 -23.1513 -15.7698 -15.6410 -15.4671 -15.4496 -5.1800 -5.0234 2.3180 2.3291 5.3933 5.5940 6.3720 6.3840 7.6742 7.9585 10.1978 10.2604 13.3867 13.4309 13.5682 13.7523 15.8741 15.9199 19.3833 19.5667 19.6490 20.0060 k = 0.3838 0.4899-0.0000 ( 1325 PWs) bands (ev): -48.7472 -48.7472 -23.1826 -23.1515 -15.7705 -15.6346 -15.4753 -15.4534 -5.1773 -5.0169 2.3161 2.3275 5.4102 5.6230 6.3877 6.4034 7.6170 7.9098 10.1636 10.2265 13.4312 13.4739 13.6056 13.7941 15.8070 15.8462 19.3798 19.6072 19.6418 20.0626 k = 0.3788 0.4986-0.0000 ( 1329 PWs) bands (ev): -48.7470 -48.7470 -23.1836 -23.1518 -15.7714 -15.6283 -15.4834 -15.4569 -5.1747 -5.0108 2.3143 2.3259 5.4254 5.6497 6.4050 6.4237 7.5616 7.8629 10.1325 10.1957 13.4720 13.5130 13.6427 13.8353 15.7425 15.7750 19.3743 19.6357 19.6486 20.1159 k = 0.3737 0.5074-0.0000 ( 1339 PWs) bands (ev): -48.7469 -48.7469 -23.1846 -23.1521 -15.7722 -15.6220 -15.4917 -15.4601 -5.1721 -5.0052 2.3125 2.3244 5.4390 5.6738 6.4237 6.4442 7.5084 7.8184 10.1047 10.1682 13.5090 13.5479 13.6790 13.8756 15.6813 15.7069 19.3686 19.6307 19.6885 20.1655 k = 0.3687 0.5161-0.0000 ( 1339 PWs) bands (ev): -48.7468 -48.7468 -23.1853 -23.1523 -15.7729 -15.6156 -15.4996 -15.4629 -5.1698 -5.0001 2.3109 2.3229 5.4508 5.6951 6.4435 6.4647 7.4582 7.7769 10.0802 10.1439 13.5418 13.5785 13.7141 13.9145 15.6242 15.6427 19.3636 19.6268 19.7259 20.2109 k = 0.3636 0.5249-0.0000 ( 1331 PWs) bands (ev): -48.7466 -48.7466 -23.1858 -23.1523 -15.7735 -15.6092 -15.5072 -15.4652 -5.1675 -4.9955 2.3094 2.3216 5.4608 5.7133 6.4639 6.4844 7.4117 7.7391 10.0589 10.1228 13.5705 13.6047 13.7472 13.9514 15.5720 15.5834 19.3595 19.6241 19.7598 20.2515 k = 0.3586 0.5336-0.0000 ( 1327 PWs) bands (ev): -48.7465 -48.7465 -23.1863 -23.1524 -15.7741 -15.6031 -15.5145 -15.4671 -5.1656 -4.9915 2.3080 2.3204 5.4692 5.7285 6.4840 6.5027 7.3697 7.7055 10.0409 10.1050 13.5947 13.6266 13.7776 13.9854 15.5254 15.5301 19.3563 19.6222 19.7897 20.2870 k = 0.3535 0.5424-0.0000 ( 1327 PWs) bands (ev): -48.7464 -48.7464 -23.1868 -23.1526 -15.7747 -15.5973 -15.5214 -15.4687 -5.1638 -4.9882 2.3068 2.3193 5.4758 5.7407 6.5030 6.5189 7.3331 7.6770 10.0262 10.0905 13.6144 13.6442 13.8042 14.0156 15.4840 15.4856 19.3540 19.6212 19.8151 20.3169 k = 0.3485 0.5511-0.0000 ( 1331 PWs) bands (ev): -48.7464 -48.7464 -23.1872 -23.1528 -15.7753 -15.5921 -15.5276 -15.4700 -5.1624 -4.9855 2.3059 2.3184 5.4808 5.7498 6.5196 6.5324 7.3030 7.6541 10.0148 10.0792 13.6296 13.6576 13.8263 14.0408 15.4463 15.4534 19.3526 19.6207 19.8354 20.3408 k = 0.3434 0.5599-0.0000 ( 1327 PWs) bands (ev): -48.7463 -48.7463 -23.1874 -23.1528 -15.7757 -15.5876 -15.5327 -15.4709 -5.1614 -4.9836 2.3051 2.3178 5.4843 5.7561 6.5326 6.5426 7.2806 7.6373 10.0067 10.0711 13.6404 13.6670 13.8428 14.0600 15.4182 15.4296 19.3518 19.6206 19.8504 20.3583 k = 0.3384 0.5686-0.0000 ( 1323 PWs) bands (ev): -48.7463 -48.7463 -23.1875 -23.1528 -15.7759 -15.5846 -15.5360 -15.4714 -5.1607 -4.9824 2.3047 2.3173 5.4864 5.7598 6.5410 6.5488 7.2667 7.6271 10.0019 10.0663 13.6467 13.6725 13.8531 14.0720 15.4008 15.4151 19.3515 19.6207 19.8595 20.3690 k = 0.3333 0.5774-0.0000 ( 1323 PWs) bands (ev): -48.7463 -48.7463 -23.1876 -23.1528 -15.7759 -15.5835 -15.5373 -15.4716 -5.1605 -4.9820 2.3045 2.3172 5.4870 5.7610 6.5439 6.5510 7.2621 7.6238 10.0003 10.0647 13.6488 13.6743 13.8566 14.0761 15.3950 15.4102 19.3515 19.6208 19.8627 20.3726 k = 0.3333 0.5774-0.0000 ( 1323 PWs) bands (ev): -48.7463 -48.7463 -23.1876 -23.1528 -15.7759 -15.5835 -15.5373 -15.4716 -5.1605 -4.9820 2.3045 2.3172 5.4870 5.7610 6.5439 6.5510 7.2621 7.6238 10.0003 10.0647 13.6488 13.6743 13.8566 14.0761 15.3950 15.4102 19.3515 19.6208 19.8627 20.3726 k = 0.3282 0.5685-0.0000 ( 1327 PWs) bands (ev): -48.7463 -48.7463 -23.1876 -23.1529 -15.7759 -15.5847 -15.5361 -15.4714 -5.1608 -4.9824 2.3047 2.3173 5.4864 5.7598 6.5409 6.5488 7.2668 7.6272 10.0019 10.0664 13.6467 13.6725 13.8530 14.0718 15.4010 15.4152 19.3514 19.6207 19.8594 20.3688 k = 0.3231 0.5596-0.0000 ( 1327 PWs) bands (ev): -48.7463 -48.7463 -23.1874 -23.1528 -15.7756 -15.5874 -15.5328 -15.4709 -5.1615 -4.9837 2.3052 2.3179 5.4845 5.7565 6.5323 6.5425 7.2806 7.6373 10.0068 10.0712 13.6406 13.6673 13.8423 14.0594 15.4188 15.4301 19.3512 19.6200 19.8494 20.3572 k = 0.3179 0.5507-0.0000 ( 1323 PWs) bands (ev): -48.7464 -48.7464 -23.1870 -23.1526 -15.7749 -15.5911 -15.5282 -15.4701 -5.1628 -4.9859 2.3062 2.3188 5.4814 5.7511 6.5189 6.5324 7.3023 7.6534 10.0150 10.0793 13.6306 13.6588 13.8251 14.0394 15.4474 15.4541 19.3506 19.6186 19.8326 20.3376 k = 0.3128 0.5418-0.0000 ( 1323 PWs) bands (ev): -48.7465 -48.7465 -23.1866 -23.1524 -15.7739 -15.5954 -15.5227 -15.4690 -5.1648 -4.9890 2.3076 2.3201 5.4773 5.7439 6.5018 6.5192 7.3307 7.6750 10.0263 10.0906 13.6170 13.6473 13.8020 14.0131 15.4857 15.4865 19.3494 19.6164 19.8089 20.3101 k = 0.3077 0.5329-0.0000 ( 1327 PWs) bands (ev): -48.7466 -48.7466 -23.1861 -23.1522 -15.7727 -15.6000 -15.5167 -15.4677 -5.1673 -4.9931 2.3095 2.3219 5.4722 5.7349 6.4821 6.5034 7.3645 7.7012 10.0408 10.1049 13.6000 13.6329 13.7739 13.9816 15.5261 15.5320 19.3473 19.6130 19.7785 20.2748 k = 0.3026 0.5241-0.0000 ( 1327 PWs) bands (ev): -48.7467 -48.7467 -23.1853 -23.1518 -15.7711 -15.6043 -15.5103 -15.4661 -5.1705 -4.9981 2.3119 2.3242 5.4660 5.7243 6.4610 6.4857 7.4024 7.7313 10.0584 10.1223 13.5798 13.6160 13.7420 13.9463 15.5719 15.5850 19.3441 19.6083 19.7415 20.2317 k = 0.2974 0.5152-0.0000 ( 1329 PWs) bands (ev): -48.7469 -48.7469 -23.1845 -23.1514 -15.7691 -15.6085 -15.5039 -15.4643 -5.1744 -5.0042 2.3149 2.3270 5.4590 5.7122 6.4393 6.4669 7.4433 7.7644 10.0789 10.1426 13.5567 13.5966 13.7069 13.9082 15.6225 15.6431 19.3397 19.6021 19.6981 20.1812 k = 0.2923 0.5063-0.0000 ( 1323 PWs) bands (ev): -48.7471 -48.7471 -23.1834 -23.1508 -15.7666 -15.6121 -15.4972 -15.4621 -5.1790 -5.0112 2.3184 2.3303 5.4511 5.6987 6.4178 6.4475 7.4863 7.7999 10.1025 10.1659 13.5311 13.5750 13.6699 13.8684 15.6769 15.7050 19.3337 19.5943 19.6487 20.1236 k = 0.2872 0.4974-0.0000 ( 1323 PWs) bands (ev): -48.7474 -48.7474 -23.1822 -23.1502 -15.7637 -15.6155 -15.4906 -15.4599 -5.1843 -5.0192 2.3225 2.3342 5.4423 5.6838 6.3971 6.4280 7.5307 7.8370 10.1288 10.1920 13.5031 13.5514 13.6315 13.8278 15.7340 15.7694 19.3260 19.5847 19.5940 20.0596 k = 0.2821 0.4885-0.0000 ( 1327 PWs) bands (ev): -48.7476 -48.7476 -23.1810 -23.1496 -15.7604 -15.6185 -15.4840 -15.4576 -5.1903 -5.0282 2.3273 2.3388 5.4327 5.6676 6.3777 6.4089 7.5758 7.8752 10.1580 10.2208 13.4733 13.5259 13.5927 13.7870 15.7928 15.8352 19.3159 19.5348 19.5730 19.9898 k = 0.2769 0.4796-0.0000 ( 1327 PWs) bands (ev): -48.7479 -48.7479 -23.1796 -23.1488 -15.7565 -15.6209 -15.4774 -15.4551 -5.1971 -5.0382 2.3327 2.3440 5.4223 5.6502 6.3599 6.3907 7.6211 7.9139 10.1899 10.2523 13.4418 13.4988 13.5540 13.7464 15.8524 15.9014 19.3024 19.4725 19.5590 19.9152 k = 0.2718 0.4708-0.0000 ( 1327 PWs) bands (ev): -48.7483 -48.7483 -23.1780 -23.1479 -15.7522 -15.6229 -15.4708 -15.4525 -5.2047 -5.0492 2.3387 2.3498 5.4110 5.6316 6.3441 6.3737 7.6663 7.9528 10.2244 10.2864 13.4091 13.4701 13.5161 13.7065 15.9119 15.9670 19.2829 19.4104 19.5420 19.8367 k = 0.2667 0.4619-0.0000 ( 1325 PWs) bands (ev): -48.7486 -48.7486 -23.1762 -23.1468 -15.7473 -15.6243 -15.4642 -15.4497 -5.2131 -5.0613 2.3455 2.3563 5.3990 5.6118 6.3304 6.3583 7.7108 7.9913 10.2614 10.3230 13.3756 13.4401 13.4794 13.6676 15.9705 16.0314 19.2507 19.3556 19.5209 19.7565 k = 0.2615 0.4530-0.0000 ( 1329 PWs) bands (ev): -48.7491 -48.7491 -23.1744 -23.1458 -15.7421 -15.6253 -15.4579 -15.4469 -5.2223 -5.0743 2.3530 2.3636 5.3861 5.5910 6.3191 6.3445 7.7545 8.0292 10.3009 10.3620 13.3416 13.4090 13.4442 13.6299 16.0276 16.0937 19.1979 19.3166 19.4930 19.6777 k = 0.2564 0.4441-0.0000 ( 1329 PWs) bands (ev): -48.7495 -48.7495 -23.1724 -23.1446 -15.7362 -15.6256 -15.4515 -15.4439 -5.2323 -5.0883 2.3612 2.3715 5.3725 5.5691 6.3104 6.3328 7.7970 8.0661 10.3427 10.4033 13.3076 13.3773 13.4107 13.5935 16.0825 16.1532 19.1285 19.2902 19.4526 19.6070 k = 0.2513 0.4352-0.0000 ( 1329 PWs) bands (ev): -48.7500 -48.7500 -23.1702 -23.1433 -15.7298 -15.6254 -15.4452 -15.4409 -5.2431 -5.1033 2.3702 2.3802 5.3579 5.5463 6.3042 6.3232 7.8382 8.1018 10.3868 10.4468 13.2737 13.3453 13.3789 13.5586 16.1346 16.2093 19.0505 19.2688 19.3927 19.5519 k = 0.2462 0.4264-0.0000 ( 1329 PWs) bands (ev): -48.7505 -48.7505 -23.1679 -23.1418 -15.7230 -15.6247 -15.4390 -15.4378 -5.2547 -5.1192 2.3799 2.3896 5.3425 5.5224 6.3007 6.3160 7.8777 8.1359 10.4330 10.4924 13.2403 13.3133 13.3491 13.5253 16.1834 16.2615 18.9683 19.2487 19.3144 19.5120 k = 0.2410 0.4175-0.0000 ( 1331 PWs) bands (ev): -48.7510 -48.7510 -23.1655 -23.1403 -15.7157 -15.6235 -15.4347 -15.4328 -5.2670 -5.1361 2.3903 2.3997 5.3263 5.4976 6.2999 6.3112 7.9155 8.1684 10.4812 10.5400 13.2075 13.2813 13.3216 13.4939 16.2284 16.3093 18.8837 19.2255 19.2288 19.4805 k = 0.2359 0.4086-0.0000 ( 1331 PWs) bands (ev): -48.7515 -48.7515 -23.1629 -23.1387 -15.7078 -15.6216 -15.4314 -15.4267 -5.2802 -5.1538 2.4016 2.4106 5.3091 5.4719 6.3019 6.3090 7.9514 8.1990 10.5313 10.5895 13.1755 13.2493 13.2968 13.4645 16.2693 16.3523 18.7977 19.1315 19.2086 19.4524 k = 0.2308 0.3997-0.0000 ( 1327 PWs) bands (ev): -48.7521 -48.7521 -23.1602 -23.1368 -15.6994 -15.6191 -15.4282 -15.4208 -5.2941 -5.1724 2.4135 2.4222 5.2910 5.4453 6.3068 6.3095 7.9853 8.2275 10.5833 10.6407 13.1444 13.2172 13.2749 13.4372 16.3056 16.3902 18.7112 19.0351 19.1879 19.4257 k = 0.2256 0.3908-0.0000 ( 1327 PWs) bands (ev): -48.7527 -48.7527 -23.1574 -23.1350 -15.6906 -15.6162 -15.4249 -15.4149 -5.3088 -5.1919 2.4262 2.4346 5.2720 5.4179 6.3128 6.3144 8.0169 8.2538 10.6369 10.6936 13.1141 13.1851 13.2562 13.4124 16.3372 16.4227 18.6247 18.9379 19.1668 19.3994 k = 0.2205 0.3819-0.0000 ( 1329 PWs) bands (ev): -48.7534 -48.7534 -23.1545 -23.1330 -15.6814 -15.6127 -15.4215 -15.4091 -5.3242 -5.2121 2.4397 2.4477 5.2520 5.3896 6.3189 6.3249 8.0464 8.2779 10.6921 10.7479 13.0847 13.1530 13.2408 13.3903 16.3637 16.4496 18.5386 18.8408 19.1452 19.3733 k = 0.2154 0.3731-0.0000 ( 1325 PWs) bands (ev): -48.7541 -48.7541 -23.1514 -23.1309 -15.6716 -15.6087 -15.4181 -15.4034 -5.3403 -5.2331 2.4538 2.4615 5.2310 5.3605 6.3279 6.3383 8.0735 8.2996 10.7487 10.8037 13.0562 13.1212 13.2288 13.3711 16.3850 16.4708 18.4534 18.7444 19.1233 19.3471 k = 0.2103 0.3642-0.0000 ( 1325 PWs) bands (ev): -48.7547 -48.7547 -23.1482 -23.1287 -15.6616 -15.6042 -15.4146 -15.3977 -5.3572 -5.2548 2.4687 2.4760 5.2091 5.3305 6.3398 6.3545 8.0983 8.3189 10.8066 10.8607 13.0283 13.0896 13.2203 13.3550 16.4011 16.4862 18.3693 18.6494 19.1012 19.3209 k = 0.2051 0.3553-0.0000 ( 1327 PWs) bands (ev): -48.7555 -48.7555 -23.1451 -23.1265 -15.6513 -15.5994 -15.4110 -15.3921 -5.3746 -5.2772 2.4843 2.4912 5.1862 5.2999 6.3546 6.3735 8.1206 8.3357 10.8657 10.9188 13.0012 13.0585 13.2153 13.3422 16.4119 16.4959 18.2868 18.5560 19.0791 19.2948 k = 0.2000 0.3464-0.0000 ( 1333 PWs) bands (ev): -48.7562 -48.7562 -23.1419 -23.1243 -15.6407 -15.5941 -15.4074 -15.3866 -5.3928 -5.3003 2.5005 2.5071 5.1623 5.2685 6.3723 6.3953 8.1406 8.3501 10.9258 10.9779 12.9747 13.0280 13.2137 13.3330 16.4174 16.4999 18.2059 18.4647 19.0570 19.2687 k = 0.1949 0.3375-0.0000 ( 1329 PWs) bands (ev): -48.7570 -48.7570 -23.1384 -23.1218 -15.6297 -15.5883 -15.4036 -15.3810 -5.4115 -5.3238 2.5174 2.5236 5.1375 5.2363 6.3929 6.4198 8.1582 8.3620 10.9868 11.0379 12.9488 12.9981 13.2155 13.3273 16.4176 16.4984 18.1270 18.3756 19.0351 19.2429 k = 0.1897 0.3286-0.0000 ( 1331 PWs) bands (ev): -48.7578 -48.7578 -23.1350 -23.1194 -15.6186 -15.5823 -15.3997 -15.3754 -5.4307 -5.3479 2.5349 2.5407 5.1118 5.2036 6.4164 6.4471 8.1733 8.3714 11.0486 11.0985 12.9234 12.9689 13.2208 13.3253 16.4127 16.4916 18.0502 18.2892 19.0135 19.2173 k = 0.1846 0.3198-0.0000 ( 1331 PWs) bands (ev): -48.7586 -48.7586 -23.1315 -23.1168 -15.6073 -15.5759 -15.3956 -15.3699 -5.4505 -5.3725 2.5529 2.5584 5.0852 5.1702 6.4428 6.4770 8.1862 8.3784 11.1110 11.1598 12.8986 12.9405 13.2294 13.3270 16.4028 16.4796 17.9757 18.2054 18.9925 19.1922 k = 0.1795 0.3109-0.0000 ( 1331 PWs) bands (ev): -48.7594 -48.7594 -23.1279 -23.1141 -15.5959 -15.5692 -15.3913 -15.3643 -5.4707 -5.3975 2.5714 2.5766 5.0577 5.1362 6.4720 6.5095 8.1967 8.3831 11.1738 11.2214 12.8745 12.9130 13.2413 13.3324 16.3880 16.4627 17.9035 18.1245 18.9721 19.1677 k = 0.1744 0.3020-0.0000 ( 1335 PWs) bands (ev): -48.7602 -48.7602 -23.1244 -23.1115 -15.5847 -15.5624 -15.3868 -15.3586 -5.4914 -5.4228 2.5905 2.5953 5.0294 5.1016 6.5040 6.5446 8.2050 8.3855 11.2370 11.2832 12.8510 12.8865 13.2564 13.3412 16.3687 16.4411 17.8337 18.0467 18.9524 19.1437 k = 0.1692 0.2931-0.0000 ( 1335 PWs) bands (ev): -48.7611 -48.7611 -23.1208 -23.1088 -15.5734 -15.5553 -15.3820 -15.3529 -5.5124 -5.4484 2.6100 2.6144 5.0004 5.0666 6.5387 6.5821 8.2111 8.3857 11.3002 11.3452 12.8283 12.8610 13.2746 13.3535 16.3449 16.4152 17.7666 17.9719 18.9337 19.1205 k = 0.1641 0.2842-0.0000 ( 1335 PWs) bands (ev): -48.7619 -48.7619 -23.1171 -23.1060 -15.5622 -15.5481 -15.3768 -15.3470 -5.5338 -5.4742 2.6299 2.6339 4.9706 5.0312 6.5759 6.6221 8.2152 8.3838 11.3635 11.4071 12.8064 12.8365 13.2957 13.3691 16.3171 16.3853 17.7021 17.9003 18.9160 19.0981 k = 0.1590 0.2754-0.0000 ( 1335 PWs) bands (ev): -48.7628 -48.7628 -23.1134 -23.1031 -15.5513 -15.5408 -15.3713 -15.3410 -5.5554 -5.5002 2.6501 2.6538 4.9402 4.9955 6.6157 6.6643 8.2174 8.3800 11.4266 11.4688 12.7853 12.8131 13.3195 13.3878 16.2855 16.3517 17.6403 17.8319 18.8994 19.0765 k = 0.1538 0.2665-0.0000 ( 1331 PWs) bands (ev): -48.7636 -48.7636 -23.1097 -23.1002 -15.5407 -15.5334 -15.3654 -15.3348 -5.5773 -5.5263 2.6706 2.6740 4.9093 4.9594 6.6580 6.7086 8.2177 8.3743 11.4894 11.5300 12.7651 12.7909 13.3459 13.4094 16.2504 16.3147 17.5814 17.7667 18.8841 19.0559 k = 0.1487 0.2576-0.0000 ( 1337 PWs) bands (ev): -48.7645 -48.7645 -23.1061 -23.0974 -15.5307 -15.5263 -15.3590 -15.3285 -5.5993 -5.5524 2.6913 2.6944 4.8778 4.9232 6.7025 6.7551 8.2163 8.3669 11.5517 11.5908 12.7459 12.7698 13.3747 13.4335 16.2122 16.2746 17.5253 17.7048 18.8700 19.0361 k = 0.1436 0.2487-0.0000 ( 1341 PWs) bands (ev): -48.7653 -48.7653 -23.1026 -23.0946 -15.5210 -15.5191 -15.3522 -15.3220 -5.6215 -5.5784 2.7122 2.7150 4.8460 4.8869 6.7493 6.8035 8.2133 8.3579 11.6134 11.6508 12.7278 12.7499 13.4055 13.4601 16.1713 16.2320 17.4721 17.6461 18.8574 19.0171 k = 0.1385 0.2398-0.0000 ( 1341 PWs) bands (ev): -48.7662 -48.7662 -23.0989 -23.0917 -15.5121 -15.5119 -15.3448 -15.3153 -5.6436 -5.6044 2.7333 2.7357 4.8139 4.8506 6.7981 6.8537 8.2089 8.3475 11.6742 11.7100 12.7107 12.7313 13.4382 13.4886 16.1282 16.1871 17.4219 17.5906 18.8461 18.9989 k = 0.1333 0.2309-0.0000 ( 1337 PWs) bands (ev): -48.7670 -48.7670 -23.0953 -23.0887 -15.5053 -15.5034 -15.3368 -15.3082 -5.6658 -5.6301 2.7543 2.7565 4.7816 4.8143 6.8488 6.9056 8.2032 8.3359 11.7341 11.7682 12.6947 12.7139 13.4724 13.5189 16.0834 16.1405 17.3747 17.5382 18.8364 18.9812 k = 0.1282 0.2221-0.0000 ( 1337 PWs) bands (ev): -48.7679 -48.7679 -23.0917 -23.0858 -15.4987 -15.4955 -15.3282 -15.3009 -5.6878 -5.6556 2.7754 2.7773 4.7491 4.7782 6.9013 6.9589 8.1963 8.3231 11.7928 11.8251 12.6798 12.6977 13.5077 13.5505 16.0373 16.0927 17.3304 17.4889 18.8280 18.9636 k = 0.1231 0.2132-0.0000 ( 1337 PWs) bands (ev): -48.7687 -48.7687 -23.0883 -23.0830 -15.4925 -15.4884 -15.3192 -15.2933 -5.7098 -5.6808 2.7963 2.7980 4.7167 4.7424 6.9553 7.0136 8.1884 8.3094 11.8502 11.8808 12.6661 12.6827 13.5437 13.5829 15.9907 16.0444 17.2892 17.4426 18.8211 18.9453 k = 0.1179 0.2043-0.0000 ( 1337 PWs) bands (ev): -48.7695 -48.7695 -23.0848 -23.0801 -15.4866 -15.4819 -15.3097 -15.2856 -5.7315 -5.7056 2.8171 2.8186 4.6844 4.7070 7.0108 7.0694 8.1797 8.2948 11.9062 11.9349 12.6535 12.6690 13.5800 13.6157 15.9442 15.9961 17.2508 17.3992 18.8153 18.9250 k = 0.1128 0.1954-0.0000 ( 1333 PWs) bands (ev): -48.7703 -48.7703 -23.0814 -23.0772 -15.4809 -15.4760 -15.2998 -15.2775 -5.7529 -5.7299 2.8377 2.8390 4.6523 4.6721 7.0675 7.1262 8.1702 8.2796 11.9605 11.9874 12.6421 12.6566 13.6160 13.6483 15.8986 15.9487 17.2153 17.3586 18.8103 18.8998 k = 0.1077 0.1865-0.0000 ( 1333 PWs) bands (ev): -48.7711 -48.7711 -23.0782 -23.0745 -15.4757 -15.4708 -15.2896 -15.2693 -5.7740 -5.7537 2.8580 2.8591 4.6206 4.6377 7.1251 7.1837 8.1602 8.2639 12.0131 12.0382 12.6319 12.6453 13.6510 13.6801 15.8549 15.9030 17.1826 17.3207 18.8053 18.8648 k = 0.1026 0.1776-0.0000 ( 1339 PWs) bands (ev): -48.7719 -48.7719 -23.0751 -23.0719 -15.4710 -15.4662 -15.2793 -15.2610 -5.7947 -5.7769 2.8779 2.8788 4.5893 4.6041 7.1835 7.2417 8.1497 8.2478 12.0639 12.0870 12.6228 12.6352 13.6846 13.7105 15.8138 15.8599 17.1526 17.2852 18.7978 18.8121 k = 0.0974 0.1688-0.0000 ( 1335 PWs) bands (ev): -48.7727 -48.7727 -23.0720 -23.0692 -15.4665 -15.4620 -15.2687 -15.2525 -5.8149 -5.7995 2.8974 2.8981 4.5586 4.5713 7.2423 7.2998 8.1389 8.2315 12.1126 12.1339 12.6148 12.6263 13.7159 13.7389 15.7763 15.8205 17.1250 17.2522 18.7359 18.7790 k = 0.0923 0.1599-0.0000 ( 1335 PWs) bands (ev): -48.7734 -48.7734 -23.0690 -23.0667 -15.4624 -15.4583 -15.2582 -15.2440 -5.8346 -5.8213 2.9164 2.9170 4.5286 4.5393 7.3014 7.3580 8.1280 8.2151 12.1591 12.1785 12.6079 12.6185 13.7443 13.7644 15.7436 15.7856 17.0999 17.2214 18.6397 18.7229 k = 0.0872 0.1510-0.0000 ( 1335 PWs) bands (ev): -48.7741 -48.7741 -23.0662 -23.0642 -15.4587 -15.4550 -15.2477 -15.2354 -5.8537 -5.8423 2.9348 2.9353 4.4995 4.5084 7.3604 7.4158 8.1170 8.1988 12.2034 12.2210 12.6020 12.6118 13.7691 13.7864 15.7166 15.7564 17.0771 17.1926 18.5317 18.6212 k = 0.0821 0.1421-0.0000 ( 1339 PWs) bands (ev): -48.7748 -48.7748 -23.0636 -23.0619 -15.4554 -15.4522 -15.2374 -15.2270 -5.8721 -5.8625 2.9526 2.9530 4.4712 4.4787 7.4191 7.4731 8.1061 8.1826 12.2452 12.2611 12.5972 12.6061 13.7896 13.8043 15.6963 15.7338 17.0564 17.1658 18.4182 18.5029 k = 0.0769 0.1332-0.0000 ( 1335 PWs) bands (ev): -48.7754 -48.7754 -23.0609 -23.0595 -15.4523 -15.4495 -15.2273 -15.2185 -5.8897 -5.8818 2.9697 2.9700 4.4440 4.4501 7.4770 7.5293 8.0954 8.1667 12.2846 12.2987 12.5934 12.6015 13.8053 13.8177 15.6836 15.7186 17.0376 17.1407 18.3028 18.3811 k = 0.0718 0.1244-0.0000 ( 1335 PWs) bands (ev): -48.7760 -48.7760 -23.0585 -23.0573 -15.4496 -15.4472 -15.2175 -15.2102 -5.9066 -5.9001 2.9861 2.9863 4.4180 4.4229 7.5340 7.5843 8.0851 8.1511 12.3214 12.3338 12.5905 12.5978 13.8159 13.8261 15.6790 15.7114 17.0206 17.1172 18.1874 18.2594 k = 0.0667 0.1155-0.0000 ( 1333 PWs) bands (ev): -48.7766 -48.7766 -23.0562 -23.0553 -15.4471 -15.4452 -15.2081 -15.2021 -5.9226 -5.9174 3.0016 3.0018 4.3932 4.3971 7.5896 7.6377 8.0751 8.1361 12.3554 12.3662 12.5886 12.5951 13.8213 13.8295 15.6830 15.7128 17.0052 17.0951 18.0730 18.1392 k = 0.0615 0.1066-0.0000 ( 1333 PWs) bands (ev): -48.7771 -48.7771 -23.0541 -23.0533 -15.4450 -15.4435 -15.1992 -15.1944 -5.9377 -5.9336 3.0162 3.0164 4.3698 4.3729 7.6434 7.6890 8.0657 8.1216 12.3867 12.3959 12.5876 12.5933 13.8216 13.8281 15.6958 15.7228 16.9912 17.0742 17.9606 18.0212 k = 0.0564 0.0977-0.0000 ( 1335 PWs) bands (ev): -48.7776 -48.7776 -23.0521 -23.0515 -15.4431 -15.4419 -15.1908 -15.1871 -5.9519 -5.9486 3.0299 3.0300 4.3478 4.3502 7.6951 7.7380 8.0568 8.1078 12.4151 12.4228 12.5874 12.5924 13.8172 13.8223 15.7172 15.7412 16.9783 17.0541 17.8507 17.9059 k = 0.0513 0.0888-0.0000 ( 1335 PWs) bands (ev): -48.7781 -48.7781 -23.0503 -23.0499 -15.4414 -15.4405 -15.1830 -15.1802 -5.9650 -5.9626 3.0426 3.0427 4.3274 4.3292 7.7443 7.7842 8.0486 8.0948 12.4405 12.4468 12.5882 12.5923 13.8088 13.8127 15.7466 15.7677 16.9664 17.0347 17.7440 17.7938 k = 0.0462 0.0799-0.0000 ( 1335 PWs) bands (ev): -48.7785 -48.7785 -23.0486 -23.0483 -15.4400 -15.4393 -15.1757 -15.1737 -5.9771 -5.9753 3.0543 3.0543 4.3087 4.3100 7.7905 7.8273 8.0412 8.0826 12.4628 12.4678 12.5898 12.5932 13.7973 13.8002 15.7835 15.8016 16.9549 17.0154 17.6413 17.6857 k = 0.0410 0.0711-0.0000 ( 1335 PWs) bands (ev): -48.7789 -48.7789 -23.0471 -23.0469 -15.4387 -15.4382 -15.1692 -15.1677 -5.9880 -5.9867 3.0649 3.0649 4.2917 4.2926 7.8335 7.8668 8.0346 8.0713 12.4820 12.4858 12.5924 12.5950 13.7836 13.7856 15.8267 15.8418 16.9435 16.9958 17.5437 17.5823 k = 0.0359 0.0622-0.0000 ( 1335 PWs) bands (ev): -48.7793 -48.7793 -23.0458 -23.0457 -15.4376 -15.4373 -15.1633 -15.1624 -5.9977 -5.9969 3.0743 3.0743 4.2765 4.2771 7.8728 7.9024 8.0290 8.0609 12.4980 12.5007 12.5957 12.5976 13.7686 13.7700 15.8752 15.8872 16.9315 16.9751 17.4524 17.4849 k = 0.0308 0.0533-0.0000 ( 1335 PWs) bands (ev): -48.7796 -48.7796 -23.0447 -23.0446 -15.4367 -15.4365 -15.1582 -15.1576 -6.0063 -6.0058 3.0826 3.0826 4.2632 4.2636 7.9080 7.9338 8.0242 8.0515 12.5109 12.5126 12.5997 12.6010 13.7534 13.7543 15.9273 15.9365 16.9179 16.9523 17.3694 17.3952 k = 0.0256 0.0444-0.0000 ( 1335 PWs) bands (ev): -48.7798 -48.7798 -23.0437 -23.0436 -15.4360 -15.4359 -15.1538 -15.1535 -6.0136 -6.0133 3.0896 3.0896 4.2518 4.2520 7.9389 7.9606 8.0205 8.0431 12.5208 12.5218 12.6041 12.6048 13.7388 13.7393 15.9813 15.9878 16.9016 16.9264 17.2969 17.3156 k = 0.0205 0.0355-0.0000 ( 1335 PWs) bands (ev): -48.7800 -48.7800 -23.0429 -23.0429 -15.4354 -15.4354 -15.1502 -15.1500 -6.0197 -6.0195 3.0954 3.0954 4.2424 4.2425 7.9650 7.9825 8.0178 8.0358 12.5282 12.5287 12.6084 12.6088 13.7257 13.7260 16.0347 16.0388 16.8816 16.8971 17.2371 17.2488 k = 0.0154 0.0266-0.0000 ( 1331 PWs) bands (ev): -48.7802 -48.7802 -23.0422 -23.0422 -15.4349 -15.4349 -15.1474 -15.1473 -6.0244 -6.0243 3.1000 3.1000 4.2351 4.2351 7.9861 7.9993 8.0163 8.0296 12.5334 12.5336 12.6122 12.6124 13.7148 13.7149 16.0843 16.0864 16.8581 16.8658 17.1917 17.1973 k = 0.0103 0.0178-0.0000 ( 1331 PWs) bands (ev): -48.7803 -48.7803 -23.0418 -23.0418 -15.4346 -15.4346 -15.1454 -15.1453 -6.0278 -6.0278 3.1032 3.1032 4.2298 4.2298 8.0019 8.0103 8.0162 8.0246 12.5368 12.5368 12.6153 12.6153 13.7066 13.7066 16.1258 16.1265 16.8338 16.8364 17.1604 17.1623 k = 0.0051 0.0089-0.0000 ( 1331 PWs) bands (ev): -48.7804 -48.7804 -23.0415 -23.0415 -15.4344 -15.4344 -15.1441 -15.1441 -6.0298 -6.0298 3.1052 3.1052 4.2266 4.2266 8.0122 8.0146 8.0185 8.0209 12.5387 12.5387 12.6172 12.6172 13.7015 13.7015 16.1538 16.1539 16.8146 16.8149 17.1423 17.1426 k = 0.0000 0.0000 0.0000 ( 1323 PWs) bands (ev): -48.7804 -48.7804 -23.0412 -23.0412 -15.4342 -15.4342 -15.1436 -15.1436 -6.0305 -6.0305 3.1059 3.1059 4.2255 4.2255 8.0159 8.0159 8.0195 8.0195 12.5393 12.5393 12.6178 12.6178 13.6998 13.6998 16.1638 16.1638 16.8071 16.8071 17.1364 17.1364 k = 0.0000 0.0000 0.0000 ( 1323 PWs) bands (ev): -48.7804 -48.7804 -23.0412 -23.0412 -15.4342 -15.4342 -15.1436 -15.1436 -6.0305 -6.0305 3.1059 3.1059 4.2255 4.2255 8.0159 8.0159 8.0195 8.0195 12.5393 12.5393 12.6178 12.6178 13.6998 13.6998 16.1638 16.1638 16.8071 16.8071 17.1364 17.1364 k = 0.0000 0.0000 0.0102 ( 1335 PWs) bands (ev): -48.7804 -48.7804 -23.0415 -23.0415 -15.4346 -15.4346 -15.1438 -15.1438 -6.0295 -6.0295 3.0852 3.0852 4.2475 4.2475 8.0155 8.0177 8.0202 8.0202 12.5363 12.5363 12.6077 12.6209 13.7015 13.7015 16.1633 16.1633 16.7978 16.8242 17.1396 17.1396 k = 0.0000 0.0000 0.0205 ( 1335 PWs) bands (ev): -48.7804 -48.7804 -23.0416 -23.0416 -15.4350 -15.4350 -15.1438 -15.1438 -6.0264 -6.0264 3.0274 3.0274 4.3092 4.3092 8.0165 8.0210 8.0223 8.0223 12.5272 12.5272 12.5907 12.6168 13.7067 13.7067 16.1618 16.1618 16.7962 16.8491 17.1494 17.1494 k = 0.0000 0.0000 0.0307 ( 1335 PWs) bands (ev): -48.7804 -48.7804 -23.0417 -23.0417 -15.4358 -15.4358 -15.1437 -15.1437 -6.0213 -6.0213 2.9421 2.9421 4.4011 4.4011 8.0190 8.0258 8.0259 8.0259 12.5123 12.5123 12.5671 12.6057 13.7155 13.7155 16.1593 16.1593 16.8023 16.8813 17.1656 17.1656 k = 0.0000 0.0000 0.0409 ( 1335 PWs) bands (ev): -48.7804 -48.7804 -23.0418 -23.0418 -15.4368 -15.4368 -15.1436 -15.1436 -6.0141 -6.0141 2.8383 2.8383 4.5139 4.5139 8.0229 8.0310 8.0310 8.0320 12.4916 12.4916 12.5371 12.5877 13.7276 13.7276 16.1558 16.1558 16.8158 16.9207 17.1877 17.1877 k = 0.0000 0.0000 0.0512 ( 1335 PWs) bands (ev): -48.7804 -48.7804 -23.0420 -23.0420 -15.4381 -15.4381 -15.1435 -15.1435 -6.0049 -6.0049 2.7230 2.7230 4.6410 4.6410 8.0283 8.0374 8.0374 8.0396 12.4654 12.4654 12.5011 12.5631 13.7431 13.7431 16.1513 16.1513 16.8362 16.9667 17.2154 17.2154 k = 0.0000 0.0000 0.0614 ( 1335 PWs) bands (ev): -48.7803 -48.7803 -23.0422 -23.0422 -15.4397 -15.4397 -15.1434 -15.1434 -5.9938 -5.9938 2.6006 2.6006 4.7777 4.7777 8.0351 8.0452 8.0452 8.0486 12.4340 12.4340 12.4597 12.5322 13.7619 13.7619 16.1459 16.1459 16.8630 17.0189 17.2481 17.2481 k = 0.0000 0.0000 0.0716 ( 1324 PWs) bands (ev): -48.7803 -48.7803 -23.0422 -23.0422 -15.4414 -15.4414 -15.1432 -15.1432 -5.9806 -5.9806 2.4739 2.4739 4.9214 4.9214 8.0433 8.0545 8.0545 8.0591 12.3978 12.3978 12.4132 12.4954 13.7839 13.7839 16.1395 16.1395 16.8957 17.0766 17.2851 17.2851 k = 0.0000 0.0000 0.0819 ( 1324 PWs) bands (ev): -48.7802 -48.7802 -23.0425 -23.0425 -15.4435 -15.4435 -15.1430 -15.1430 -5.9656 -5.9656 2.3448 2.3448 5.0699 5.0699 8.0529 8.0651 8.0651 8.0709 12.3570 12.3570 12.3622 12.4532 13.8089 13.8089 16.1323 16.1323 16.9334 17.1392 17.3257 17.3257 k = 0.0000 0.0000 0.0921 ( 1324 PWs) bands (ev): -48.7802 -48.7802 -23.0428 -23.0428 -15.4459 -15.4459 -15.1428 -15.1428 -5.9487 -5.9487 2.2146 2.2146 5.2222 5.2222 8.0640 8.0771 8.0771 8.0841 12.3072 12.3120 12.3120 12.4060 13.8368 13.8368 16.1242 16.1242 16.9754 17.2059 17.3689 17.3689 k = 0.0000 0.0000 0.1023 ( 1324 PWs) bands (ev): -48.7802 -48.7802 -23.0432 -23.0432 -15.4485 -15.4485 -15.1426 -15.1426 -5.9300 -5.9300 2.0841 2.0841 5.3774 5.3774 8.0763 8.0904 8.0904 8.0987 12.2486 12.2633 12.2633 12.3544 13.8673 13.8673 16.1154 16.1154 17.0209 17.2760 17.4137 17.4137 k = 0.0000 0.0000 0.1126 ( 1324 PWs) bands (ev): -48.7801 -48.7801 -23.0436 -23.0436 -15.4513 -15.4513 -15.1424 -15.1424 -5.9096 -5.9096 1.9539 1.9539 5.5347 5.5347 8.0901 8.1050 8.1050 8.1145 12.1869 12.2112 12.2112 12.2988 13.9001 13.9001 16.1061 16.1061 17.0688 17.3487 17.4588 17.4588 k = 0.0000 0.0000 0.1228 ( 1324 PWs) bands (ev): -48.7801 -48.7801 -23.0440 -23.0440 -15.4543 -15.4543 -15.1422 -15.1422 -5.8875 -5.8875 1.8245 1.8245 5.6938 5.6938 8.1051 8.1210 8.1210 8.1317 12.1226 12.1562 12.1562 12.2397 13.9350 13.9350 16.0963 16.0963 17.1184 17.4229 17.5029 17.5029 k = 0.0000 0.0000 0.1330 ( 1324 PWs) bands (ev): -48.7800 -48.7800 -23.0444 -23.0444 -15.4575 -15.4575 -15.1419 -15.1419 -5.8638 -5.8638 1.6963 1.6963 5.8542 5.8542 8.1215 8.1381 8.1381 8.1501 12.0561 12.0986 12.0986 12.1777 13.9715 13.9715 16.0863 16.0863 17.1685 17.4976 17.5446 17.5446 k = 0.0000 0.0000 0.1432 ( 1324 PWs) bands (ev): -48.7800 -48.7800 -23.0448 -23.0448 -15.4608 -15.4608 -15.1417 -15.1417 -5.8385 -5.8385 1.5695 1.5695 6.0157 6.0157 8.1391 8.1565 8.1565 8.1698 11.9879 12.0388 12.0388 12.1131 14.0092 14.0092 16.0764 16.0764 17.2182 17.5716 17.5822 17.5822 k = 0.0000 0.0000 0.1535 ( 1336 PWs) bands (ev): -48.7799 -48.7799 -23.0456 -23.0456 -15.4646 -15.4646 -15.1415 -15.1415 -5.8119 -5.8119 1.4444 1.4444 6.1779 6.1779 8.1579 8.1761 8.1761 8.1906 11.9182 11.9772 11.9772 12.0463 14.0475 14.0475 16.0670 16.0670 17.2663 17.6143 17.6143 17.6432 k = 0.0000 0.0000 0.1637 ( 1342 PWs) bands (ev): -48.7799 -48.7799 -23.0462 -23.0462 -15.4683 -15.4683 -15.1412 -15.1412 -5.7839 -5.7839 1.3212 1.3212 6.3405 6.3405 8.1780 8.1968 8.1968 8.2126 11.8475 11.9141 11.9141 11.9779 14.0857 14.0857 16.0586 16.0586 17.3120 17.6395 17.6395 17.7106 k = 0.0000 0.0000 0.1739 ( 1342 PWs) bands (ev): -48.7798 -48.7798 -23.0467 -23.0467 -15.4721 -15.4721 -15.1409 -15.1409 -5.7547 -5.7547 1.2001 1.2001 6.5034 6.5034 8.1992 8.2186 8.2186 8.2356 11.7761 11.8499 11.8499 11.9081 14.1231 14.1231 16.0517 16.0517 17.3542 17.6569 17.6569 17.7714 k = 0.0000 0.0000 0.1842 ( 1336 PWs) bands (ev): -48.7798 -48.7798 -23.0471 -23.0471 -15.4758 -15.4758 -15.1405 -15.1405 -5.7243 -5.7243 1.0814 1.0814 6.6663 6.6663 8.2215 8.2414 8.2414 8.2597 11.7043 11.7848 11.7848 11.8373 14.1589 14.1589 16.0472 16.0472 17.3922 17.6660 17.6660 17.8231 k = 0.0000 0.0000 0.1944 ( 1336 PWs) bands (ev): -48.7797 -48.7797 -23.0476 -23.0476 -15.4796 -15.4796 -15.1402 -15.1402 -5.6930 -5.6930 0.9652 0.9652 6.8289 6.8289 8.2448 8.2652 8.2652 8.2848 11.6324 11.7192 11.7192 11.7658 14.1921 14.1921 16.0457 16.0457 17.4252 17.6671 17.6671 17.8631 k = 0.0000 0.0000 0.2046 ( 1336 PWs) bands (ev): -48.7797 -48.7797 -23.0482 -23.0482 -15.4835 -15.4835 -15.1399 -15.1399 -5.6608 -5.6608 0.8516 0.8516 6.9909 6.9909 8.2692 8.2898 8.2898 8.3107 11.5606 11.6534 11.6534 11.6941 14.2216 14.2216 16.0483 16.0483 17.4527 17.6608 17.6608 17.8896 k = 0.0000 0.0000 0.2149 ( 1342 PWs) bands (ev): -48.7796 -48.7796 -23.0488 -23.0488 -15.4875 -15.4875 -15.1397 -15.1397 -5.6280 -5.6280 0.7408 0.7408 7.1522 7.1522 8.2944 8.3154 8.3154 8.3375 11.4893 11.5876 11.5876 11.6222 14.2464 14.2464 16.0560 16.0560 17.4745 17.6482 17.6482 17.9019 k = 0.0000 0.0000 0.2251 ( 1342 PWs) bands (ev): -48.7795 -48.7795 -23.0494 -23.0494 -15.4914 -15.4914 -15.1394 -15.1394 -5.5945 -5.5945 0.6332 0.6332 7.3123 7.3123 8.3205 8.3416 8.3416 8.3649 11.4188 11.5220 11.5220 11.5506 14.2654 14.2654 16.0699 16.0699 17.4907 17.6303 17.6303 17.9013 k = 0.0000 0.0000 0.2353 ( 1330 PWs) bands (ev): -48.7795 -48.7795 -23.0496 -23.0496 -15.4950 -15.4950 -15.1390 -15.1390 -5.5607 -5.5607 0.5287 0.5287 7.4711 7.4711 8.3474 8.3686 8.3686 8.3930 11.3491 11.4571 11.4571 11.4794 14.2776 14.2776 16.0909 16.0909 17.5015 17.6083 17.6083 17.8901 k = 0.0000 0.0000 0.2456 ( 1330 PWs) bands (ev): -48.7794 -48.7794 -23.0502 -23.0502 -15.4988 -15.4988 -15.1387 -15.1387 -5.5267 -5.5267 0.4276 0.4276 7.6280 7.6280 8.3749 8.3961 8.3961 8.4215 11.2807 11.3930 11.3930 11.4090 14.2823 14.2823 16.1198 16.1198 17.5074 17.5834 17.5834 17.8708 k = 0.0000 0.0000 0.2558 ( 1330 PWs) bands (ev): -48.7793 -48.7793 -23.0507 -23.0507 -15.5026 -15.5026 -15.1384 -15.1384 -5.4926 -5.4926 0.3301 0.3301 7.7827 7.7827 8.4030 8.4242 8.4242 8.4505 11.2137 11.3299 11.3299 11.3396 14.2789 14.2789 16.1575 16.1575 17.5091 17.5564 17.5564 17.8458 k = 0.0000 0.0000 0.2660 ( 1330 PWs) bands (ev): -48.7793 -48.7793 -23.0512 -23.0512 -15.5062 -15.5062 -15.1381 -15.1381 -5.4587 -5.4587 0.2364 0.2364 7.9346 7.9346 8.4316 8.4527 8.4527 8.4796 11.1484 11.2682 11.2682 11.2714 14.2672 14.2672 16.2042 16.2042 17.5071 17.5281 17.5281 17.8170 k = 0.0000 0.0000 0.2763 ( 1330 PWs) bands (ev): -48.7792 -48.7792 -23.0517 -23.0517 -15.5098 -15.5098 -15.1378 -15.1378 -5.4252 -5.4252 0.1467 0.1467 8.0831 8.0831 8.4604 8.4818 8.4818 8.5088 11.0851 11.2046 11.2080 11.2080 14.2475 14.2475 16.2600 16.2600 17.4993 17.4993 17.5023 17.7860 k = 0.0000 0.0000 0.2865 ( 1330 PWs) bands (ev): -48.7792 -48.7792 -23.0522 -23.0522 -15.5132 -15.5132 -15.1375 -15.1375 -5.3922 -5.3922 0.0612 0.0612 8.2271 8.2271 8.4894 8.5118 8.5118 8.5378 11.0240 11.1396 11.1497 11.1497 14.2201 14.2201 16.3249 16.3249 17.4705 17.4705 17.4953 17.7538 k = 0.0000 0.0000 0.2967 ( 1318 PWs) bands (ev): -48.7791 -48.7791 -23.0524 -23.0524 -15.5162 -15.5162 -15.1371 -15.1371 -5.3601 -5.3601 -0.0198 -0.0198 8.3644 8.3644 8.5184 8.5442 8.5442 8.5665 10.9654 11.0766 11.0935 11.0935 14.1860 14.1860 16.3984 16.3984 17.4423 17.4423 17.4868 17.7213 k = 0.0000 0.0000 0.3070 ( 1318 PWs) bands (ev): -48.7790 -48.7790 -23.0528 -23.0528 -15.5193 -15.5193 -15.1369 -15.1369 -5.3290 -5.3290 -0.0962 -0.0962 8.4860 8.4860 8.5472 8.5870 8.5870 8.5946 10.9096 11.0159 11.0397 11.0397 14.1461 14.1461 16.4801 16.4801 17.4150 17.4150 17.4774 17.6891 k = 0.0000 0.0000 0.3172 ( 1318 PWs) bands (ev): -48.7790 -48.7790 -23.0532 -23.0532 -15.5222 -15.5222 -15.1366 -15.1366 -5.2992 -5.2992 -0.1676 -0.1676 8.5613 8.5613 8.5756 8.6219 8.6699 8.6699 10.8569 10.9576 10.9886 10.9886 14.1015 14.1015 16.5695 16.5695 17.3890 17.3890 17.4677 17.6577 k = 0.0000 0.0000 0.3274 ( 1318 PWs) bands (ev): -48.7790 -48.7790 -23.0536 -23.0536 -15.5249 -15.5249 -15.1364 -15.1364 -5.2709 -5.2709 -0.2339 -0.2339 8.5991 8.5991 8.6033 8.6481 8.7831 8.7831 10.8076 10.9022 10.9404 10.9404 14.0536 14.0536 16.6657 16.6657 17.3647 17.3647 17.4580 17.6275 k = 0.0000 0.0000 0.3377 ( 1330 PWs) bands (ev): -48.7789 -48.7789 -23.0542 -23.0542 -15.5275 -15.5275 -15.1365 -15.1365 -5.2443 -5.2443 -0.2948 -0.2948 8.6274 8.6274 8.6302 8.6728 8.8973 8.8973 10.7621 10.8500 10.8955 10.8955 14.0038 14.0038 16.7681 16.7681 17.3425 17.3425 17.4489 17.5988 k = 0.0000 0.0000 0.3479 ( 1330 PWs) bands (ev): -48.7789 -48.7789 -23.0545 -23.0545 -15.5298 -15.5298 -15.1363 -15.1363 -5.2198 -5.2198 -0.3500 -0.3500 8.6522 8.6522 8.6558 8.6958 9.0055 9.0055 10.7207 10.8012 10.8543 10.8543 13.9536 13.9536 16.8759 16.8759 17.3230 17.3230 17.4406 17.5719 k = 0.0000 0.0000 0.3581 ( 1324 PWs) bands (ev): -48.7789 -48.7789 -23.0547 -23.0547 -15.5317 -15.5317 -15.1361 -15.1361 -5.1975 -5.1975 -0.3994 -0.3994 8.6743 8.6743 8.6800 8.7168 9.1054 9.1054 10.6838 10.7562 10.8169 10.8169 13.9045 13.9045 16.9876 16.9876 17.3070 17.3070 17.4335 17.5469 k = 0.0000 0.0000 0.3683 ( 1330 PWs) bands (ev): -48.7788 -48.7788 -23.0551 -23.0551 -15.5336 -15.5336 -15.1359 -15.1359 -5.1777 -5.1777 -0.4428 -0.4428 8.6941 8.6941 8.7023 8.7354 9.1952 9.1952 10.6517 10.7154 10.7838 10.7838 13.8578 13.8578 17.0996 17.0996 17.2978 17.2978 17.4279 17.5240 k = 0.0000 0.0000 0.3786 ( 1330 PWs) bands (ev): -48.7788 -48.7788 -23.0553 -23.0553 -15.5351 -15.5351 -15.1358 -15.1358 -5.1605 -5.1605 -0.4798 -0.4798 8.7112 8.7112 8.7225 8.7512 9.2738 9.2738 10.6248 10.6791 10.7552 10.7552 13.8153 13.8153 17.1946 17.1946 17.3123 17.3123 17.4239 17.5032 k = 0.0000 0.0000 0.3888 ( 1330 PWs) bands (ev): -48.7788 -48.7788 -23.0555 -23.0555 -15.5364 -15.5364 -15.1357 -15.1357 -5.1462 -5.1462 -0.5104 -0.5104 8.7257 8.7257 8.7403 8.7640 9.3400 9.3400 10.6034 10.6477 10.7315 10.7315 13.7781 13.7781 17.2288 17.2288 17.3938 17.3938 17.4218 17.4848 k = 0.0000 0.0000 0.3990 ( 1324 PWs) bands (ev): -48.7788 -48.7788 -23.0555 -23.0555 -15.5372 -15.5372 -15.1356 -15.1356 -5.1349 -5.1349 -0.5343 -0.5343 8.7372 8.7372 8.7552 8.7735 9.3928 9.3928 10.5878 10.6215 10.7127 10.7127 13.7477 13.7477 17.2304 17.2304 17.4217 17.4687 17.5132 17.5132 k = 0.0000 0.0000 0.4093 ( 1324 PWs) bands (ev): -48.7788 -48.7788 -23.0556 -23.0556 -15.5379 -15.5379 -15.1355 -15.1355 -5.1267 -5.1267 -0.5515 -0.5515 8.7455 8.7455 8.7671 8.7795 9.4312 9.4312 10.5781 10.6009 10.6992 10.6992 13.7252 13.7252 17.2274 17.2274 17.4238 17.4549 17.6405 17.6405 k = 0.0000 0.0000 0.4195 ( 1324 PWs) bands (ev): -48.7787 -48.7787 -23.0556 -23.0556 -15.5383 -15.5383 -15.1355 -15.1355 -5.1217 -5.1217 -0.5619 -0.5619 8.7506 8.7506 8.7756 8.7819 9.4545 9.4545 10.5746 10.5861 10.6910 10.6910 13.7113 13.7113 17.2249 17.2249 17.4281 17.4436 17.7639 17.7639 k = 0.0000 0.0000 0.4297 ( 1336 PWs) bands (ev): -48.7788 -48.7788 -23.0559 -23.0559 -15.5386 -15.5386 -15.1357 -15.1357 -5.1201 -5.1201 -0.5654 -0.5654 8.7523 8.7523 8.7805 8.7805 9.4623 9.4623 10.5773 10.5773 10.6883 10.6883 13.7066 13.7066 17.2240 17.2240 17.4346 17.4346 17.8363 17.8363 k = 0.0000 0.0000 0.4297 ( 1336 PWs) bands (ev): -48.7788 -48.7788 -23.0559 -23.0559 -15.5386 -15.5386 -15.1357 -15.1357 -5.1201 -5.1201 -0.5654 -0.5654 8.7523 8.7523 8.7805 8.7805 9.4623 9.4623 10.5773 10.5773 10.6883 10.6883 13.7066 13.7066 17.2240 17.2240 17.4346 17.4346 17.8363 17.8363 k = 0.0089 0.0052 0.4297 ( 1324 PWs) bands (ev): -48.7787 -48.7787 -23.0558 -23.0558 -15.5385 -15.5385 -15.1359 -15.1359 -5.1201 -5.1201 -0.5641 -0.5641 8.7509 8.7509 8.7792 8.7792 9.4618 9.4618 10.5766 10.5766 10.6879 10.6879 13.7085 13.7085 17.2224 17.2224 17.4321 17.4321 17.8406 17.8406 k = 0.0179 0.0103 0.4297 ( 1324 PWs) bands (ev): -48.7786 -48.7786 -23.0560 -23.0560 -15.5386 -15.5386 -15.1370 -15.1370 -5.1202 -5.1202 -0.5605 -0.5605 8.7467 8.7467 8.7751 8.7751 9.4603 9.4603 10.5743 10.5743 10.6870 10.6870 13.7143 13.7143 17.2174 17.2174 17.4259 17.4259 17.8533 17.8533 k = 0.0268 0.0155 0.4297 ( 1324 PWs) bands (ev): -48.7785 -48.7785 -23.0564 -23.0564 -15.5387 -15.5387 -15.1389 -15.1389 -5.1205 -5.1205 -0.5544 -0.5544 8.7395 8.7395 8.7687 8.7687 9.4577 9.4577 10.5691 10.5691 10.6869 10.6869 13.7239 13.7239 17.2079 17.2079 17.4200 17.4200 17.8743 17.8743 k = 0.0357 0.0206 0.4297 ( 1320 PWs) bands (ev): -48.7784 -48.7784 -23.0569 -23.0569 -15.5388 -15.5388 -15.1415 -15.1415 -5.1207 -5.1207 -0.5458 -0.5458 8.7289 8.7289 8.7601 8.7601 9.4541 9.4541 10.5599 10.5599 10.6891 10.6891 13.7373 13.7373 17.1931 17.1931 17.4182 17.4182 17.9035 17.9035 k = 0.0446 0.0258 0.4297 ( 1320 PWs) bands (ev): -48.7781 -48.7781 -23.0577 -23.0577 -15.5390 -15.5390 -15.1448 -15.1448 -5.1211 -5.1211 -0.5350 -0.5350 8.7147 8.7147 8.7500 8.7500 9.4494 9.4494 10.5455 10.5455 10.6949 10.6949 13.7541 13.7541 17.1734 17.1734 17.4228 17.4228 17.9405 17.9405 k = 0.0536 0.0309 0.4297 ( 1316 PWs) bands (ev): -48.7779 -48.7779 -23.0585 -23.0585 -15.5392 -15.5392 -15.1488 -15.1488 -5.1216 -5.1216 -0.5218 -0.5218 8.6969 8.6969 8.7383 8.7383 9.4437 9.4437 10.5256 10.5256 10.7049 10.7049 13.7744 13.7744 17.1503 17.1503 17.4343 17.4343 17.9847 17.9847 k = 0.0625 0.0361 0.4297 ( 1316 PWs) bands (ev): -48.7776 -48.7776 -23.0596 -23.0596 -15.5395 -15.5395 -15.1536 -15.1536 -5.1221 -5.1221 -0.5063 -0.5063 8.6755 8.6755 8.7254 8.7254 9.4370 9.4370 10.5008 10.5008 10.7189 10.7189 13.7980 13.7980 17.1257 17.1257 17.4522 17.4522 18.0355 18.0355 k = 0.0714 0.0412 0.4297 ( 1316 PWs) bands (ev): -48.7772 -48.7772 -23.0608 -23.0608 -15.5398 -15.5398 -15.1590 -15.1590 -5.1227 -5.1227 -0.4885 -0.4885 8.6508 8.6508 8.7110 8.7110 9.4292 9.4292 10.4715 10.4715 10.7367 10.7367 13.8246 13.8246 17.1013 17.1013 17.4756 17.4756 18.0919 18.0919 k = 0.0804 0.0464 0.4297 ( 1316 PWs) bands (ev): -48.7769 -48.7769 -23.0621 -23.0621 -15.5403 -15.5403 -15.1651 -15.1651 -5.1234 -5.1234 -0.4686 -0.4686 8.6228 8.6228 8.6953 8.6953 9.4204 9.4204 10.4386 10.4386 10.7579 10.7579 13.8541 13.8541 17.0784 17.0784 17.5038 17.5038 18.1528 18.1528 k = 0.0893 0.0515 0.4297 ( 1312 PWs) bands (ev): -48.7764 -48.7764 -23.0636 -23.0636 -15.5408 -15.5408 -15.1716 -15.1716 -5.1242 -5.1242 -0.4467 -0.4467 8.5918 8.5918 8.6783 8.6783 9.4107 9.4107 10.4027 10.4027 10.7823 10.7823 13.8862 13.8862 17.0578 17.0578 17.5363 17.5363 18.2163 18.2163 k = 0.0982 0.0567 0.4297 ( 1314 PWs) bands (ev): -48.7760 -48.7760 -23.0653 -23.0653 -15.5414 -15.5414 -15.1788 -15.1788 -5.1250 -5.1250 -0.4227 -0.4227 8.5581 8.5581 8.6600 8.6600 9.3999 9.3999 10.3644 10.3644 10.8096 10.8096 13.9209 13.9209 17.0401 17.0401 17.5726 17.5726 18.2801 18.2801 k = 0.1071 0.0619 0.4297 ( 1318 PWs) bands (ev): -48.7755 -48.7755 -23.0671 -23.0671 -15.5422 -15.5422 -15.1865 -15.1865 -5.1259 -5.1259 -0.3968 -0.3968 8.5219 8.5219 8.6404 8.6404 9.3883 9.3883 10.3242 10.3242 10.8398 10.8398 13.9579 13.9579 17.0256 17.0256 17.6124 17.6124 18.3409 18.3409 k = 0.1161 0.0670 0.4297 ( 1316 PWs) bands (ev): -48.7749 -48.7749 -23.0690 -23.0690 -15.5430 -15.5430 -15.1946 -15.1946 -5.1269 -5.1269 -0.3691 -0.3691 8.4832 8.4832 8.6197 8.6197 9.3758 9.3758 10.2827 10.2827 10.8726 10.8726 13.9971 13.9971 17.0147 17.0147 17.6553 17.6553 18.3943 18.3943 k = 0.1250 0.0722 0.4297 ( 1320 PWs) bands (ev): -48.7743 -48.7743 -23.0712 -23.0712 -15.5440 -15.5440 -15.2033 -15.2033 -5.1279 -5.1279 -0.3397 -0.3397 8.4423 8.4423 8.5978 8.5978 9.3625 9.3625 10.2402 10.2402 10.9079 10.9079 14.0383 14.0383 17.0073 17.0073 17.7011 17.7011 18.4348 18.4348 k = 0.1339 0.0773 0.4297 ( 1320 PWs) bands (ev): -48.7737 -48.7737 -23.0733 -23.0733 -15.5452 -15.5452 -15.2122 -15.2122 -5.1290 -5.1290 -0.3087 -0.3087 8.3995 8.3995 8.5749 8.5749 9.3484 9.3484 10.1972 10.1972 10.9456 10.9456 14.0814 14.0814 17.0035 17.0035 17.7495 17.7495 18.4572 18.4572 k = 0.1429 0.0825 0.4297 ( 1324 PWs) bands (ev): -48.7731 -48.7731 -23.0757 -23.0757 -15.5465 -15.5465 -15.2215 -15.2215 -5.1301 -5.1301 -0.2763 -0.2763 8.3548 8.3548 8.5511 8.5511 9.3337 9.3337 10.1541 10.1541 10.9857 10.9857 14.1262 14.1262 17.0033 17.0033 17.8002 17.8002 18.4585 18.4585 k = 0.1518 0.0876 0.4297 ( 1326 PWs) bands (ev): -48.7724 -48.7724 -23.0782 -23.0782 -15.5480 -15.5480 -15.2309 -15.2309 -5.1313 -5.1313 -0.2424 -0.2424 8.3084 8.3084 8.5265 8.5265 9.3184 9.3184 10.1113 10.1113 11.0280 11.0280 14.1726 14.1726 17.0065 17.0065 17.8528 17.8528 18.4390 18.4390 k = 0.1607 0.0928 0.4297 ( 1326 PWs) bands (ev): -48.7717 -48.7717 -23.0806 -23.0806 -15.5497 -15.5497 -15.2406 -15.2406 -5.1325 -5.1325 -0.2073 -0.2073 8.2606 8.2606 8.5011 8.5011 9.3026 9.3026 10.0691 10.0691 11.0723 11.0723 14.2204 14.2204 17.0131 17.0131 17.9069 17.9069 18.4022 18.4022 k = 0.1696 0.0979 0.4297 ( 1326 PWs) bands (ev): -48.7710 -48.7710 -23.0832 -23.0832 -15.5517 -15.5517 -15.2503 -15.2503 -5.1337 -5.1337 -0.1712 -0.1712 8.2115 8.2115 8.4751 8.4751 9.2864 9.2864 10.0277 10.0277 11.1187 11.1187 14.2695 14.2695 17.0228 17.0228 17.9617 17.9617 18.3528 18.3528 k = 0.1786 0.1031 0.4297 ( 1326 PWs) bands (ev): -48.7702 -48.7702 -23.0859 -23.0859 -15.5539 -15.5539 -15.2601 -15.2601 -5.1350 -5.1350 -0.1340 -0.1340 8.1613 8.1613 8.4486 8.4486 9.2698 9.2698 9.9875 9.9875 11.1670 11.1670 14.3196 14.3196 17.0355 17.0355 18.0153 18.0153 18.2963 18.2963 k = 0.1875 0.1083 0.4297 ( 1326 PWs) bands (ev): -48.7695 -48.7695 -23.0887 -23.0887 -15.5564 -15.5564 -15.2699 -15.2699 -5.1363 -5.1363 -0.0960 -0.0960 8.1101 8.1101 8.4216 8.4216 9.2529 9.2529 9.9488 9.9488 11.2171 11.2171 14.3708 14.3708 17.0509 17.0509 18.0617 18.0617 18.2417 18.2417 k = 0.1964 0.1134 0.4297 ( 1326 PWs) bands (ev): -48.7687 -48.7687 -23.0915 -23.0915 -15.5592 -15.5592 -15.2795 -15.2795 -5.1377 -5.1377 -0.0573 -0.0573 8.0583 8.0583 8.3943 8.3943 9.2358 9.2358 9.9117 9.9117 11.2689 11.2689 14.4226 14.4226 17.0688 17.0688 18.0759 18.0759 18.2161 18.2161 k = 0.2054 0.1186 0.4297 ( 1326 PWs) bands (ev): -48.7679 -48.7679 -23.0944 -23.0944 -15.5623 -15.5623 -15.2890 -15.2890 -5.1391 -5.1391 -0.0181 -0.0181 8.0058 8.0058 8.3667 8.3667 9.2186 9.2186 9.8764 9.8764 11.3221 11.3221 14.4749 14.4749 17.0889 17.0889 18.0338 18.0338 18.2452 18.2452 k = 0.2143 0.1237 0.4297 ( 1328 PWs) bands (ev): -48.7670 -48.7670 -23.0973 -23.0973 -15.5659 -15.5659 -15.2983 -15.2983 -5.1404 -5.1404 0.0216 0.0216 7.9530 7.9530 8.3390 8.3390 9.2013 9.2013 9.8432 9.8432 11.3768 11.3768 14.5275 14.5275 17.1109 17.1109 17.9676 17.9676 18.2981 18.2981 k = 0.2232 0.1289 0.4297 ( 1332 PWs) bands (ev): -48.7662 -48.7662 -23.1004 -23.1004 -15.5699 -15.5699 -15.3073 -15.3073 -5.1418 -5.1418 0.0615 0.0615 7.8999 7.8999 8.3112 8.3112 9.1840 9.1840 9.8122 9.8122 11.4328 11.4328 14.5799 14.5799 17.1344 17.1344 17.8955 17.8955 18.3577 18.3577 k = 0.2321 0.1340 0.4297 ( 1328 PWs) bands (ev): -48.7654 -48.7654 -23.1033 -23.1033 -15.5742 -15.5742 -15.3158 -15.3158 -5.1432 -5.1432 0.1016 0.1016 7.8468 7.8468 8.2834 8.2834 9.1669 9.1669 9.7835 9.7835 11.4898 11.4898 14.6319 14.6319 17.1589 17.1589 17.8229 17.8229 18.4197 18.4197 k = 0.2411 0.1392 0.4297 ( 1340 PWs) bands (ev): -48.7646 -48.7646 -23.1066 -23.1066 -15.5791 -15.5791 -15.3241 -15.3241 -5.1446 -5.1446 0.1417 0.1417 7.7938 7.7938 8.2557 8.2557 9.1498 9.1498 9.7572 9.7572 11.5479 11.5479 14.6831 14.6831 17.1837 17.1837 17.7522 17.7522 18.4827 18.4827 k = 0.2500 0.1443 0.4297 ( 1338 PWs) bands (ev): -48.7637 -48.7637 -23.1096 -23.1096 -15.5843 -15.5843 -15.3318 -15.3318 -5.1461 -5.1461 0.1816 0.1816 7.7411 7.7411 8.2283 8.2283 9.1330 9.1330 9.7334 9.7334 11.6067 11.6067 14.7329 14.7329 17.2081 17.2081 17.6855 17.6855 18.5460 18.5460 k = 0.2589 0.1495 0.4297 ( 1338 PWs) bands (ev): -48.7629 -48.7629 -23.1126 -23.1126 -15.5899 -15.5899 -15.3390 -15.3390 -5.1475 -5.1475 0.2212 0.2212 7.6888 7.6888 8.2011 8.2011 9.1165 9.1165 9.7122 9.7122 11.6662 11.6662 14.7808 14.7808 17.2307 17.2307 17.6250 17.6250 18.6092 18.6092 k = 0.2679 0.1546 0.4297 ( 1338 PWs) bands (ev): -48.7620 -48.7620 -23.1157 -23.1157 -15.5959 -15.5959 -15.3457 -15.3457 -5.1489 -5.1489 0.2605 0.2605 7.6371 7.6371 8.1743 8.1743 9.1002 9.1002 9.6936 9.6936 11.7262 11.7262 14.8262 14.8262 17.2493 17.2493 17.5738 17.5738 18.6718 18.6718 k = 0.2768 0.1598 0.4297 ( 1338 PWs) bands (ev): -48.7612 -48.7612 -23.1187 -23.1187 -15.6024 -15.6024 -15.3518 -15.3518 -5.1502 -5.1502 0.2992 0.2992 7.5861 7.5861 8.1479 8.1479 9.0843 9.0843 9.6777 9.6777 11.7865 11.7865 14.8684 14.8684 17.2609 17.2609 17.5356 17.5356 18.7334 18.7334 k = 0.2857 0.1650 0.4297 ( 1338 PWs) bands (ev): -48.7603 -48.7603 -23.1217 -23.1217 -15.6091 -15.6091 -15.3574 -15.3574 -5.1516 -5.1516 0.3372 0.3372 7.5360 7.5360 8.1220 8.1220 9.0689 9.0689 9.6644 9.6644 11.8469 11.8469 14.9067 14.9067 17.2624 17.2624 17.5145 17.5145 18.7938 18.7938 k = 0.2946 0.1701 0.4297 ( 1336 PWs) bands (ev): -48.7595 -48.7595 -23.1247 -23.1247 -15.6162 -15.6162 -15.3625 -15.3625 -5.1530 -5.1530 0.3745 0.3745 7.4869 7.4869 8.0967 8.0967 9.0538 9.0538 9.6537 9.6537 11.9072 11.9072 14.9403 14.9403 17.2538 17.2538 17.5113 17.5113 18.8524 18.8524 k = 0.3036 0.1753 0.4297 ( 1340 PWs) bands (ev): -48.7587 -48.7587 -23.1277 -23.1277 -15.6235 -15.6235 -15.3671 -15.3671 -5.1543 -5.1543 0.4108 0.4108 7.4389 7.4389 8.0720 8.0720 9.0393 9.0393 9.6455 9.6455 11.9672 11.9672 14.9685 14.9685 17.2395 17.2395 17.5222 17.5222 18.9087 18.9087 k = 0.3125 0.1804 0.4297 ( 1340 PWs) bands (ev): -48.7579 -48.7579 -23.1306 -23.1306 -15.6310 -15.6310 -15.3712 -15.3712 -5.1556 -5.1556 0.4462 0.4462 7.3922 7.3922 8.0480 8.0480 9.0253 9.0253 9.6397 9.6397 12.0267 12.0267 14.9907 14.9907 17.2254 17.2254 17.5422 17.5422 18.9620 18.9620 k = 0.3214 0.1856 0.4297 ( 1340 PWs) bands (ev): -48.7572 -48.7572 -23.1334 -23.1334 -15.6387 -15.6387 -15.3749 -15.3749 -5.1568 -5.1568 0.4804 0.4804 7.3469 7.3469 8.0247 8.0247 9.0118 9.0118 9.6364 9.6364 12.0856 12.0856 15.0062 15.0062 17.2158 17.2158 17.5676 17.5676 19.0113 19.0113 k = 0.3304 0.1907 0.4297 ( 1336 PWs) bands (ev): -48.7564 -48.7564 -23.1361 -23.1361 -15.6463 -15.6463 -15.3781 -15.3781 -5.1581 -5.1581 0.5135 0.5135 7.3031 7.3031 8.0023 8.0023 8.9989 8.9989 9.6352 9.6352 12.1435 12.1435 15.0148 15.0148 17.2133 17.2133 17.5960 17.5960 19.0550 19.0550 k = 0.3393 0.1959 0.4297 ( 1336 PWs) bands (ev): -48.7557 -48.7557 -23.1387 -23.1387 -15.6540 -15.6540 -15.3809 -15.3809 -5.1592 -5.1592 0.5453 0.5453 7.2609 7.2609 7.9807 7.9807 8.9866 8.9866 9.6362 9.6362 12.2003 12.2003 15.0165 15.0165 17.2193 17.2193 17.6261 17.6261 19.0913 19.0913 k = 0.3482 0.2010 0.4297 ( 1340 PWs) bands (ev): -48.7550 -48.7550 -23.1414 -23.1414 -15.6617 -15.6617 -15.3834 -15.3834 -5.1604 -5.1604 0.5758 0.5758 7.2205 7.2205 7.9600 7.9600 8.9748 8.9748 9.6391 9.6391 12.2557 12.2557 15.0113 15.0113 17.2344 17.2344 17.6574 17.6574 19.1183 19.1183 k = 0.3571 0.2062 0.4297 ( 1340 PWs) bands (ev): -48.7543 -48.7543 -23.1439 -23.1439 -15.6692 -15.6692 -15.3855 -15.3855 -5.1615 -5.1615 0.6048 0.6048 7.1818 7.1818 7.9403 7.9403 8.9638 8.9638 9.6438 9.6438 12.3096 12.3096 14.9997 14.9997 17.2584 17.2584 17.6894 17.6894 19.1352 19.1352 k = 0.3661 0.2114 0.4297 ( 1344 PWs) bands (ev): -48.7537 -48.7537 -23.1463 -23.1463 -15.6766 -15.6766 -15.3874 -15.3874 -5.1625 -5.1625 0.6323 0.6323 7.1450 7.1450 7.9215 7.9215 8.9533 8.9533 9.6500 9.6500 12.3617 12.3617 14.9825 14.9825 17.2907 17.2907 17.7219 17.7219 19.1431 19.1431 k = 0.3750 0.2165 0.4297 ( 1346 PWs) bands (ev): -48.7530 -48.7530 -23.1486 -23.1486 -15.6838 -15.6838 -15.3891 -15.3891 -5.1635 -5.1635 0.6582 0.6582 7.1102 7.1102 7.9038 7.9038 8.9435 8.9435 9.6576 9.6576 12.4117 12.4117 14.9605 14.9605 17.3305 17.3305 17.7551 17.7551 19.1444 19.1444 k = 0.3839 0.2217 0.4297 ( 1346 PWs) bands (ev): -48.7525 -48.7525 -23.1508 -23.1508 -15.6906 -15.6906 -15.3904 -15.3904 -5.1645 -5.1645 0.6825 0.6825 7.0775 7.0775 7.8872 7.8872 8.9344 8.9344 9.6662 9.6662 12.4595 12.4595 14.9347 14.9347 17.3763 17.3763 17.7893 17.7893 19.1416 19.1416 k = 0.3929 0.2268 0.4297 ( 1346 PWs) bands (ev): -48.7519 -48.7519 -23.1528 -23.1528 -15.6971 -15.6971 -15.3916 -15.3916 -5.1653 -5.1653 0.7052 0.7052 7.0469 7.0469 7.8716 7.8716 8.9259 8.9259 9.6757 9.6757 12.5048 12.5048 14.9062 14.9062 17.4265 17.4265 17.8250 17.8250 19.1362 19.1362 k = 0.4018 0.2320 0.4297 ( 1346 PWs) bands (ev): -48.7514 -48.7514 -23.1547 -23.1547 -15.7033 -15.7033 -15.3926 -15.3926 -5.1662 -5.1662 0.7262 0.7262 7.0185 7.0185 7.8572 7.8572 8.9181 8.9181 9.6858 9.6858 12.5474 12.5474 14.8758 14.8758 17.4791 17.4791 17.8629 17.8629 19.1296 19.1296 k = 0.4107 0.2371 0.4297 ( 1344 PWs) bands (ev): -48.7509 -48.7509 -23.1564 -23.1564 -15.7090 -15.7090 -15.3934 -15.3934 -5.1669 -5.1669 0.7455 0.7455 6.9924 6.9924 7.8439 7.8439 8.9110 8.9110 9.6962 9.6962 12.5871 12.5871 14.8448 14.8448 17.5319 17.5319 17.9041 17.9041 19.1223 19.1223 k = 0.4196 0.2423 0.4297 ( 1344 PWs) bands (ev): -48.7505 -48.7505 -23.1579 -23.1579 -15.7143 -15.7143 -15.3942 -15.3942 -5.1676 -5.1676 0.7630 0.7630 6.9686 6.9686 7.8319 7.8319 8.9045 8.9045 9.7067 9.7067 12.6237 12.6237 14.8138 14.8138 17.5825 17.5825 17.9496 17.9496 19.1148 19.1148 k = 0.4286 0.2474 0.4297 ( 1344 PWs) bands (ev): -48.7501 -48.7501 -23.1594 -23.1594 -15.7191 -15.7191 -15.3948 -15.3948 -5.1682 -5.1682 0.7787 0.7787 6.9472 6.9472 7.8210 7.8210 8.8988 8.8988 9.7170 9.7170 12.6571 12.6571 14.7839 14.7839 17.6288 17.6288 18.0002 18.0002 19.1075 19.1075 k = 0.4375 0.2526 0.4297 ( 1344 PWs) bands (ev): -48.7498 -48.7498 -23.1607 -23.1607 -15.7234 -15.7234 -15.3953 -15.3953 -5.1688 -5.1688 0.7926 0.7926 6.9282 6.9282 7.8114 7.8114 8.8937 8.8937 9.7267 9.7267 12.6869 12.6869 14.7557 14.7557 17.6691 17.6691 18.0559 18.0559 19.1005 19.1005 k = 0.4464 0.2577 0.4297 ( 1348 PWs) bands (ev): -48.7495 -48.7495 -23.1619 -23.1619 -15.7272 -15.7272 -15.3958 -15.3958 -5.1693 -5.1693 0.8047 0.8047 6.9116 6.9116 7.8030 7.8030 8.8892 8.8892 9.7358 9.7358 12.7131 12.7131 14.7299 14.7299 17.7028 17.7028 18.1155 18.1155 19.0940 19.0940 k = 0.4554 0.2629 0.4297 ( 1348 PWs) bands (ev): -48.7492 -48.7492 -23.1628 -23.1628 -15.7304 -15.7304 -15.3961 -15.3961 -5.1697 -5.1697 0.8149 0.8149 6.8975 6.8975 7.7959 7.7959 8.8855 8.8855 9.7438 9.7438 12.7356 12.7356 14.7071 14.7071 17.7299 17.7299 18.1768 18.1768 19.0881 19.0881 k = 0.4643 0.2681 0.4297 ( 1348 PWs) bands (ev): -48.7490 -48.7490 -23.1636 -23.1636 -15.7331 -15.7331 -15.3963 -15.3963 -5.1700 -5.1700 0.8233 0.8233 6.8860 6.8860 7.7900 7.7900 8.8824 8.8824 9.7508 9.7508 12.7541 12.7541 14.6878 14.6878 17.7510 17.7510 18.2364 18.2364 19.0829 19.0829 k = 0.4732 0.2732 0.4297 ( 1352 PWs) bands (ev): -48.7488 -48.7488 -23.1643 -23.1643 -15.7352 -15.7352 -15.3966 -15.3966 -5.1703 -5.1703 0.8298 0.8298 6.8770 6.8770 7.7855 7.7855 8.8800 8.8800 9.7563 9.7563 12.7686 12.7686 14.6723 14.6723 17.7667 17.7667 18.2904 18.2904 19.0785 19.0785 k = 0.4821 0.2784 0.4297 ( 1352 PWs) bands (ev): -48.7487 -48.7487 -23.1647 -23.1647 -15.7367 -15.7367 -15.3967 -15.3967 -5.1705 -5.1705 0.8345 0.8345 6.8705 6.8705 7.7822 7.7822 8.8783 8.8783 9.7604 9.7604 12.7791 12.7791 14.6611 14.6611 17.7776 17.7776 18.3340 18.3340 19.0751 19.0751 k = 0.4911 0.2835 0.4297 ( 1348 PWs) bands (ev): -48.7486 -48.7486 -23.1649 -23.1649 -15.7376 -15.7376 -15.3967 -15.3967 -5.1706 -5.1706 0.8373 0.8373 6.8667 6.8667 7.7803 7.7803 8.8773 8.8773 9.7629 9.7629 12.7854 12.7854 14.6543 14.6543 17.7839 17.7839 18.3626 18.3626 19.0728 19.0728 k = 0.5000 0.2887 0.4297 ( 1348 PWs) bands (ev): -48.7486 -48.7486 -23.1650 -23.1650 -15.7379 -15.7379 -15.3967 -15.3967 -5.1706 -5.1706 0.8383 0.8383 6.8654 6.8654 7.7796 7.7796 8.8770 8.8770 9.7638 9.7638 12.7875 12.7875 14.6520 14.6520 17.7860 17.7860 18.3727 18.3727 19.0720 19.0720 k = 0.5000 0.2887 0.4297 ( 1348 PWs) bands (ev): -48.7486 -48.7486 -23.1650 -23.1650 -15.7379 -15.7379 -15.3967 -15.3967 -5.1706 -5.1706 0.8383 0.8383 6.8654 6.8654 7.7796 7.7796 8.8770 8.8770 9.7638 9.7638 12.7875 12.7875 14.6520 14.6520 17.7860 17.7860 18.3727 18.3727 19.0720 19.0720 k = 0.4949 0.2974 0.4297 ( 1348 PWs) bands (ev): -48.7486 -48.7486 -23.1658 -23.1642 -15.7394 -15.7362 -15.3981 -15.3959 -5.1706 -5.1706 0.8290 0.8485 6.8633 6.8643 7.7800 7.7813 8.8760 8.8773 9.7613 9.7691 12.7741 12.7979 14.6464 14.6594 17.7869 17.7875 18.3520 18.3802 19.0091 19.1178 k = 0.4899 0.3062 0.4297 ( 1352 PWs) bands (ev): -48.7486 -48.7486 -23.1667 -23.1636 -15.7407 -15.7342 -15.3999 -15.3957 -5.1706 -5.1705 0.8208 0.8597 6.8581 6.8602 7.7824 7.7849 8.8744 8.8769 9.7615 9.7772 12.7577 12.8051 14.6428 14.6686 17.7896 17.7915 18.3211 18.3720 18.9426 19.1346 k = 0.4848 0.3149 0.4297 ( 1352 PWs) bands (ev): -48.7486 -48.7486 -23.1676 -23.1630 -15.7417 -15.7320 -15.4023 -15.3960 -5.1706 -5.1704 0.8136 0.8718 6.8499 6.8530 7.7868 7.7905 8.8722 8.8759 9.7646 9.7881 12.7383 12.8093 14.6410 14.6796 17.7926 17.7978 18.2836 18.3467 18.8818 19.1237 k = 0.4798 0.3237 0.4297 ( 1348 PWs) bands (ev): -48.7485 -48.7485 -23.1685 -23.1623 -15.7425 -15.7296 -15.4050 -15.3967 -5.1705 -5.1703 0.8074 0.8849 6.8389 6.8430 7.7930 7.7980 8.8692 8.8741 9.7706 9.8018 12.7162 12.8102 14.6410 14.6924 17.7940 17.8056 18.2438 18.3050 18.8306 19.0956 k = 0.4747 0.3324 0.4297 ( 1348 PWs) bands (ev): -48.7484 -48.7484 -23.1695 -23.1617 -15.7431 -15.7269 -15.4082 -15.3980 -5.1705 -5.1701 0.8022 0.8987 6.8252 6.8303 7.8010 7.8072 8.8655 8.8717 9.7793 9.8183 12.6912 12.8078 14.6427 14.7067 17.7902 17.8132 18.2068 18.2514 18.7892 19.0591 k = 0.4697 0.3412 0.4297 ( 1348 PWs) bands (ev): -48.7484 -48.7484 -23.1705 -23.1612 -15.7435 -15.7239 -15.4119 -15.3999 -5.1704 -5.1700 0.7981 0.9134 6.8091 6.8152 7.8106 7.8180 8.8611 8.8685 9.7909 9.8376 12.6636 12.8022 14.6461 14.7227 17.7770 17.8173 18.1789 18.1932 18.7552 19.0187 k = 0.4646 0.3499 0.4297 ( 1348 PWs) bands (ev): -48.7483 -48.7483 -23.1715 -23.1608 -15.7437 -15.7207 -15.4160 -15.4023 -5.1703 -5.1698 0.7949 0.9288 6.7908 6.7979 7.8216 7.8303 8.8559 8.8645 9.8054 9.8596 12.6333 12.7933 14.6510 14.7400 17.7506 17.8119 18.1405 18.1653 18.7258 18.9764 k = 0.4596 0.3587 0.4297 ( 1348 PWs) bands (ev): -48.7482 -48.7482 -23.1726 -23.1604 -15.7437 -15.7173 -15.4204 -15.4052 -5.1701 -5.1696 0.7926 0.9448 6.7706 6.7787 7.8339 7.8438 8.8500 8.8598 9.8226 9.8844 12.6003 12.7810 14.6573 14.7587 17.7104 17.7889 18.1047 18.1682 18.6987 18.9329 k = 0.4545 0.3674 0.4297 ( 1344 PWs) bands (ev): -48.7480 -48.7480 -23.1736 -23.1599 -15.7435 -15.7137 -15.4251 -15.4085 -5.1700 -5.1694 0.7913 0.9613 6.7488 6.7578 7.8474 7.8585 8.8432 8.8542 9.8428 9.9120 12.5649 12.7654 14.6649 14.7784 17.6591 17.7441 18.0921 18.1860 18.6728 18.8885 k = 0.4495 0.3762 0.4297 ( 1346 PWs) bands (ev): -48.7479 -48.7479 -23.1747 -23.1597 -15.7431 -15.7098 -15.4302 -15.4124 -5.1698 -5.1691 0.7908 0.9783 6.7256 6.7355 7.8620 7.8742 8.8355 8.8477 9.8658 9.9423 12.5270 12.7464 14.6735 14.7992 17.6007 17.6823 18.0989 18.2157 18.6476 18.8431 k = 0.4444 0.3849 0.4297 ( 1338 PWs) bands (ev): -48.7477 -48.7477 -23.1757 -23.1593 -15.7425 -15.7056 -15.4354 -15.4167 -5.1696 -5.1689 0.7911 0.9958 6.7013 6.7121 7.8774 7.8907 8.8269 8.8403 9.8917 9.9754 12.4866 12.7241 14.6829 14.8207 17.5387 17.6113 18.1176 18.2543 18.6234 18.7968 k = 0.4394 0.3936 0.4297 ( 1342 PWs) bands (ev): -48.7476 -48.7476 -23.1769 -23.1592 -15.7420 -15.7013 -15.4410 -15.4216 -5.1694 -5.1686 0.7922 1.0134 6.6762 6.6879 7.8936 7.9081 8.8175 8.8319 9.9204 10.0111 12.4438 12.6985 14.6930 14.8429 17.4759 17.5371 18.1416 18.2996 18.6015 18.7497 k = 0.4343 0.4024 0.4297 ( 1338 PWs) bands (ev): -48.7474 -48.7474 -23.1779 -23.1590 -15.7412 -15.6967 -15.4466 -15.4267 -5.1692 -5.1684 0.7939 1.0313 6.6505 6.6631 7.9105 7.9261 8.8071 8.8227 9.9520 10.0495 12.3987 12.6695 14.7036 14.8654 17.4143 17.4630 18.1654 18.3497 18.5841 18.7022 k = 0.4293 0.4111 0.4297 ( 1338 PWs) bands (ev): -48.7473 -48.7473 -23.1791 -23.1589 -15.7404 -15.6919 -15.4525 -15.4324 -5.1690 -5.1681 0.7963 1.0493 6.6245 6.6379 7.9281 7.9448 8.7957 8.8124 9.9864 10.0906 12.3512 12.6373 14.7143 14.8880 17.3553 17.3914 18.1840 18.4019 18.5746 18.6558 k = 0.4242 0.4199 0.4297 ( 1342 PWs) bands (ev): -48.7471 -48.7471 -23.1803 -23.1589 -15.7395 -15.6870 -15.4584 -15.4385 -5.1688 -5.1678 0.7993 1.0672 6.5984 6.6126 7.9461 7.9639 8.7835 8.8012 10.0237 10.1342 12.3015 12.6018 14.7250 14.9106 17.3002 17.3235 18.1924 18.4502 18.5768 18.6157 k = 0.4192 0.4286 0.4297 ( 1342 PWs) bands (ev): -48.7469 -48.7469 -23.1814 -23.1589 -15.7386 -15.6819 -15.4643 -15.4448 -5.1686 -5.1675 0.8027 1.0849 6.5723 6.5873 7.9647 7.9834 8.7703 8.7890 10.0639 10.1804 12.2497 12.5633 14.7355 14.9327 17.2497 17.2605 18.1873 18.4732 18.5933 18.6026 k = 0.4141 0.4374 0.4297 ( 1346 PWs) bands (ev): -48.7468 -48.7468 -23.1826 -23.1590 -15.7376 -15.6766 -15.4703 -15.4515 -5.1684 -5.1673 0.8065 1.1024 6.5466 6.5624 7.9836 8.0033 8.7562 8.7759 10.1068 10.2290 12.1956 12.5216 14.7455 14.9543 17.2031 17.2046 18.1686 18.4488 18.6235 18.6379 k = 0.4091 0.4461 0.4297 ( 1342 PWs) bands (ev): -48.7466 -48.7466 -23.1836 -23.1590 -15.7365 -15.6711 -15.4761 -15.4585 -5.1682 -5.1670 0.8106 1.1196 6.5214 6.5379 8.0028 8.0235 8.7413 8.7618 10.1524 10.2800 12.1395 12.4769 14.7549 14.9749 17.1519 17.1654 18.1387 18.4016 18.6647 18.6967 k = 0.4040 0.4549 0.4297 ( 1342 PWs) bands (ev): -48.7464 -48.7464 -23.1846 -23.1591 -15.7355 -15.6654 -15.4818 -15.4657 -5.1681 -5.1668 0.8150 1.1363 6.4969 6.5140 8.0223 8.0439 8.7255 8.7469 10.2008 10.3331 12.0814 12.4295 14.7634 14.9944 17.1076 17.1327 18.1002 18.3472 18.7135 18.7627 k = 0.3990 0.4636 0.4297 ( 1342 PWs) bands (ev): -48.7462 -48.7462 -23.1856 -23.1592 -15.7345 -15.6596 -15.4873 -15.4731 -5.1679 -5.1665 0.8196 1.1524 6.4733 6.4910 8.0420 8.0645 8.7091 8.7312 10.2519 10.3884 12.0214 12.3794 14.7711 15.0124 17.0705 17.1067 18.0556 18.2895 18.7672 18.8314 k = 0.3939 0.4724 0.4297 ( 1340 PWs) bands (ev): -48.7461 -48.7461 -23.1866 -23.1593 -15.7335 -15.6536 -15.4926 -15.4807 -5.1677 -5.1663 0.8243 1.1678 6.4506 6.4690 8.0619 8.0851 8.6919 8.7148 10.3055 10.4455 11.9595 12.3270 14.7777 15.0288 17.0410 17.0877 18.0064 18.2299 18.8236 18.9012 k = 0.3889 0.4811 0.4297 ( 1344 PWs) bands (ev): -48.7459 -48.7459 -23.1876 -23.1595 -15.7327 -15.6475 -15.4977 -15.4885 -5.1676 -5.1661 0.8290 1.1824 6.4292 6.4481 8.0817 8.1058 8.6743 8.6978 10.3615 10.5042 11.8960 12.2724 14.7833 15.0434 17.0194 17.0758 17.9537 18.1690 18.8812 18.9709 k = 0.3838 0.4899 0.4297 ( 1340 PWs) bands (ev): -48.7457 -48.7457 -23.1884 -23.1596 -15.7319 -15.6412 -15.5023 -15.4962 -5.1674 -5.1659 0.8336 1.1962 6.4091 6.4285 8.1015 8.1263 8.6562 8.6804 10.4200 10.5643 11.8308 12.2160 14.7877 15.0561 17.0058 17.0711 17.8984 18.1071 18.9387 19.0395 k = 0.3788 0.4986 0.4297 ( 1344 PWs) bands (ev): -48.7456 -48.7456 -23.1893 -23.1599 -15.7312 -15.6349 -15.5068 -15.5042 -5.1673 -5.1657 0.8381 1.2090 6.3904 6.4103 8.1211 8.1465 8.6380 8.6626 10.4806 10.6253 11.7643 12.1582 14.7911 15.0668 17.0004 17.0734 17.8409 18.0445 18.9947 19.1063 k = 0.3737 0.5074 0.4297 ( 1344 PWs) bands (ev): -48.7455 -48.7455 -23.1901 -23.1601 -15.7306 -15.6285 -15.5121 -15.5107 -5.1672 -5.1656 0.8424 1.2208 6.3733 6.3936 8.1403 8.1664 8.6197 8.6447 10.5433 10.6867 11.6964 12.0997 14.7936 15.0755 17.0032 17.0825 17.7819 17.9817 19.0483 19.1704 k = 0.3687 0.5161 0.4297 ( 1344 PWs) bands (ev): -48.7453 -48.7453 -23.1907 -23.1603 -15.7302 -15.6220 -15.5201 -15.5142 -5.1671 -5.1654 0.8465 1.2314 6.3579 6.3786 8.1589 8.1857 8.6016 8.6269 10.6079 10.7479 11.6275 12.0410 14.7951 15.0823 17.0140 17.0982 17.7216 17.9189 19.0985 19.2310 k = 0.3636 0.5249 0.4297 ( 1344 PWs) bands (ev): -48.7452 -48.7452 -23.1914 -23.1605 -15.7298 -15.6154 -15.5279 -15.5173 -5.1671 -5.1653 0.8502 1.2407 6.3443 6.3653 8.1767 8.2040 8.5841 8.6096 10.6740 10.8079 11.5579 11.9833 14.7959 15.0874 17.0325 17.1201 17.6605 17.8567 19.1442 19.2873 k = 0.3586 0.5336 0.4297 ( 1344 PWs) bands (ev): -48.7451 -48.7451 -23.1919 -23.1606 -15.7296 -15.6088 -15.5357 -15.5198 -5.1670 -5.1652 0.8534 1.2488 6.3326 6.3538 8.1933 8.2211 8.5676 8.5933 10.7414 10.8655 11.4877 11.9276 14.7961 15.0910 17.0586 17.1473 17.5988 17.7956 19.1845 19.3382 k = 0.3535 0.5424 0.4297 ( 1344 PWs) bands (ev): -48.7450 -48.7450 -23.1924 -23.1608 -15.7294 -15.6021 -15.5434 -15.5219 -5.1670 -5.1652 0.8563 1.2556 6.3228 6.3443 8.2082 8.2365 8.5526 8.5783 10.8095 10.9189 11.4175 11.8758 14.7958 15.0933 17.0919 17.1789 17.5367 17.7365 19.2187 19.3827 k = 0.3485 0.5511 0.4297 ( 1348 PWs) bands (ev): -48.7450 -48.7450 -23.1928 -23.1610 -15.7294 -15.5955 -15.5509 -15.5236 -5.1669 -5.1651 0.8585 1.2609 6.3151 6.3368 8.2208 8.2497 8.5397 8.5654 10.8773 10.9660 11.3481 11.8301 14.7953 15.0946 17.1320 17.2132 17.4747 17.6812 19.2459 19.4198 k = 0.3434 0.5599 0.4297 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1931 -23.1611 -15.7295 -15.5891 -15.5579 -15.5247 -5.1669 -5.1651 0.8602 1.2648 6.3095 6.3313 8.2306 8.2598 8.5297 8.5554 10.9430 11.0035 11.2816 11.7936 14.7947 15.0952 17.1782 17.2470 17.4129 17.6325 19.2656 19.4478 k = 0.3384 0.5686 0.4297 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1933 -23.1612 -15.7295 -15.5834 -15.5640 -15.5254 -5.1669 -5.1651 0.8613 1.2671 6.3062 6.3280 8.2368 8.2662 8.5233 8.5489 11.0003 11.0281 11.2238 11.7697 14.7942 15.0953 17.2300 17.2743 17.3521 17.5965 19.2774 19.4654 k = 0.3333 0.5774 0.4297 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1933 -23.1612 -15.7295 -15.5805 -15.5671 -15.5256 -5.1669 -5.1650 0.8616 1.2679 6.3050 6.3269 8.2389 8.2684 8.5211 8.5467 11.0278 11.0367 11.1961 11.7614 14.7940 15.0953 17.2756 17.2855 17.3034 17.5824 19.2814 19.4713 k = 0.3333 0.5774 0.4297 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1933 -23.1612 -15.7295 -15.5805 -15.5671 -15.5256 -5.1669 -5.1650 0.8616 1.2679 6.3050 6.3269 8.2389 8.2684 8.5211 8.5467 11.0278 11.0367 11.1961 11.7614 14.7940 15.0953 17.2756 17.2855 17.3034 17.5824 19.2814 19.4713 k = 0.3282 0.5685 0.4297 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1932 -23.1612 -15.7295 -15.5834 -15.5640 -15.5254 -5.1669 -5.1651 0.8613 1.2671 6.3062 6.3280 8.2368 8.2662 8.5234 8.5490 10.9996 11.0278 11.2244 11.7700 14.7943 15.0954 17.2270 17.2731 17.3551 17.5977 19.2774 19.4655 k = 0.3231 0.5596 0.4297 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1931 -23.1611 -15.7294 -15.5888 -15.5581 -15.5248 -5.1669 -5.1651 0.8601 1.2646 6.3098 6.3316 8.2305 8.2596 8.5301 8.5557 10.9411 11.0023 11.2830 11.7944 14.7953 15.0959 17.1678 17.2404 17.4230 17.6390 19.2658 19.4493 k = 0.3179 0.5507 0.4297 ( 1350 PWs) bands (ev): -48.7450 -48.7450 -23.1928 -23.1610 -15.7291 -15.5947 -15.5516 -15.5238 -5.1669 -5.1651 0.8580 1.2604 6.3158 6.3375 8.2207 8.2494 8.5405 8.5663 10.8744 10.9633 11.3497 11.8315 14.7972 15.0970 17.1095 17.1961 17.4957 17.6975 19.2470 19.4246 k = 0.3128 0.5418 0.4297 ( 1350 PWs) bands (ev): -48.7451 -48.7451 -23.1923 -23.1608 -15.7287 -15.6004 -15.5448 -15.5224 -5.1669 -5.1651 0.8550 1.2545 6.3243 6.3458 8.2082 8.2364 8.5541 8.5800 10.8052 10.9142 11.4183 11.8774 14.8002 15.0989 17.0526 17.1464 17.5722 17.7666 19.2217 19.3930 k = 0.3077 0.5329 0.4297 ( 1342 PWs) bands (ev): -48.7452 -48.7452 -23.1916 -23.1603 -15.7279 -15.6058 -15.5378 -15.5207 -5.1669 -5.1651 0.8512 1.2468 6.3353 6.3566 8.1937 8.2213 8.5701 8.5961 10.7357 10.8583 11.4867 11.9289 14.8045 15.1019 16.9973 17.0945 17.6519 17.8430 19.1905 19.3554 k = 0.3026 0.5241 0.4297 ( 1342 PWs) bands (ev): -48.7453 -48.7453 -23.1909 -23.1600 -15.7270 -15.6109 -15.5309 -15.5187 -5.1669 -5.1651 0.8463 1.2375 6.3488 6.3698 8.1780 8.2048 8.5879 8.6140 10.6667 10.7978 11.5538 11.9832 14.8105 15.1061 16.9440 17.0421 17.7342 17.9247 19.1542 19.3129 k = 0.2974 0.5152 0.4297 ( 1342 PWs) bands (ev): -48.7455 -48.7455 -23.1901 -23.1596 -15.7259 -15.6156 -15.5241 -15.5165 -5.1668 -5.1651 0.8404 1.2264 6.3647 6.3855 8.1615 8.1875 8.6070 8.6333 10.5985 10.7345 11.6187 12.0383 14.8183 15.1116 16.8929 16.9901 17.8185 18.0104 19.1135 19.2658 k = 0.2923 0.5063 0.4297 ( 1346 PWs) bands (ev): -48.7457 -48.7457 -23.1893 -23.1592 -15.7245 -15.6201 -15.5173 -15.5141 -5.1667 -5.1651 0.8335 1.2135 6.3832 6.4037 8.1446 8.1699 8.6271 8.6534 10.5317 10.6697 11.6808 12.0925 14.8282 15.1185 16.8442 16.9392 17.9040 18.0992 19.0692 19.2149 k = 0.2872 0.4974 0.4297 ( 1346 PWs) bands (ev): -48.7459 -48.7459 -23.1882 -23.1586 -15.7227 -15.6240 -15.5114 -15.5104 -5.1667 -5.1651 0.8255 1.1989 6.4041 6.4243 8.1278 8.1522 8.6479 8.6742 10.4664 10.6042 11.7396 12.1445 14.8403 15.1270 16.7980 16.8897 17.9897 18.1903 19.0223 19.1606 k = 0.2821 0.4885 0.4297 ( 1346 PWs) bands (ev): -48.7462 -48.7462 -23.1869 -23.1579 -15.7206 -15.6275 -15.5086 -15.5037 -5.1665 -5.1650 0.8164 1.1825 6.4276 6.4473 8.1113 8.1347 8.6692 8.6955 10.4028 10.5389 11.7945 12.1934 14.8550 15.1370 16.7548 16.8419 18.0747 18.2826 18.9737 19.1036 k = 0.2769 0.4796 0.4297 ( 1342 PWs) bands (ev): -48.7465 -48.7465 -23.1855 -23.1570 -15.7179 -15.6304 -15.5056 -15.4970 -5.1664 -5.1650 0.8063 1.1645 6.4534 6.4728 8.0953 8.1178 8.6907 8.7170 10.3413 10.4743 11.8452 12.2382 14.8723 15.1485 16.7146 16.7962 18.1571 18.3753 18.9251 19.0445 k = 0.2718 0.4708 0.4297 ( 1342 PWs) bands (ev): -48.7468 -48.7468 -23.1840 -23.1562 -15.7150 -15.6330 -15.5024 -15.4904 -5.1662 -5.1649 0.7949 1.1447 6.4817 6.5007 8.0800 8.1014 8.7125 8.7386 10.2818 10.4108 11.8911 12.2782 14.8923 15.1614 16.6779 16.7526 18.2345 18.4669 18.8786 18.9847 k = 0.2667 0.4619 0.4297 ( 1334 PWs) bands (ev): -48.7472 -48.7472 -23.1822 -23.1551 -15.7115 -15.6349 -15.4991 -15.4838 -5.1660 -5.1647 0.7824 1.1233 6.5124 6.5309 8.0655 8.0859 8.7343 8.7603 10.2247 10.3488 11.9319 12.3127 14.9150 15.1755 16.6450 16.7116 18.3029 18.5544 18.8381 18.9264 k = 0.2615 0.4530 0.4297 ( 1330 PWs) bands (ev): -48.7476 -48.7476 -23.1804 -23.1539 -15.7077 -15.6365 -15.4956 -15.4772 -5.1657 -5.1645 0.7687 1.1002 6.5454 6.5634 8.0521 8.0713 8.7561 8.7820 10.1700 10.2886 11.9673 12.3413 14.9402 15.1905 16.6162 16.6733 18.3558 18.6306 18.8096 18.8765 k = 0.2564 0.4441 0.4297 ( 1330 PWs) bands (ev): -48.7480 -48.7480 -23.1784 -23.1528 -15.7036 -15.6376 -15.4921 -15.4708 -5.1654 -5.1643 0.7538 1.0755 6.5808 6.5982 8.0397 8.0579 8.7778 8.8035 10.1179 10.2304 11.9970 12.3636 14.9677 15.2058 16.5919 16.6382 18.3846 18.6714 18.8013 18.8582 k = 0.2513 0.4352 0.4297 ( 1330 PWs) bands (ev): -48.7485 -48.7485 -23.1764 -23.1515 -15.6991 -15.6383 -15.4885 -15.4645 -5.1650 -5.1640 0.7377 1.0492 6.6184 6.6353 8.0286 8.0455 8.7994 8.8249 10.0685 10.1746 12.0210 12.3795 14.9969 15.2210 16.5728 16.6066 18.3842 18.6513 18.8179 18.8961 k = 0.2462 0.4264 0.4297 ( 1330 PWs) bands (ev): -48.7490 -48.7490 -23.1742 -23.1502 -15.6942 -15.6386 -15.4848 -15.4581 -5.1646 -5.1637 0.7203 1.0213 6.6581 6.6745 8.0187 8.0345 8.8207 8.8460 10.0219 10.1214 12.0389 12.3888 15.0271 15.2354 16.5593 16.5790 18.3582 18.5981 18.8549 18.9608 k = 0.2410 0.4175 0.4297 ( 1334 PWs) bands (ev): -48.7495 -48.7495 -23.1720 -23.1488 -15.6889 -15.6384 -15.4809 -15.4519 -5.1641 -5.1633 0.7017 0.9919 6.7000 6.7158 8.0103 8.0248 8.8418 8.8669 9.9783 10.0708 12.0510 12.3917 15.0576 15.2482 16.5520 16.5562 18.3154 18.5346 18.9031 19.0270 k = 0.2359 0.4086 0.4297 ( 1334 PWs) bands (ev): -48.7501 -48.7501 -23.1696 -23.1472 -15.6833 -15.6377 -15.4769 -15.4456 -5.1635 -5.1628 0.6819 0.9610 6.7440 6.7591 8.0033 8.0166 8.8627 8.8874 9.9377 10.0231 12.0572 12.3881 15.0872 15.2585 16.5387 16.5515 18.2629 18.4675 18.9546 19.0841 k = 0.2308 0.3997 0.4297 ( 1340 PWs) bands (ev): -48.7507 -48.7507 -23.1672 -23.1457 -15.6775 -15.6367 -15.4728 -15.4395 -5.1630 -5.1624 0.6608 0.9286 6.7899 6.8043 7.9978 8.0098 8.8832 8.9076 9.9002 9.9784 12.0577 12.3784 15.1147 15.2655 16.5274 16.5584 18.2049 18.3989 19.0044 19.1238 k = 0.2256 0.3908 0.4297 ( 1340 PWs) bands (ev): -48.7513 -48.7513 -23.1646 -23.1439 -15.6713 -15.6352 -15.4685 -15.4333 -5.1623 -5.1618 0.6386 0.8949 6.8378 6.8515 7.9940 8.0047 8.9034 8.9274 9.8660 9.9368 12.0526 12.3629 15.1389 15.2685 16.5232 16.5731 18.1437 18.3299 19.0492 19.1402 k = 0.2205 0.3819 0.4297 ( 1340 PWs) bands (ev): -48.7519 -48.7519 -23.1618 -23.1421 -15.6648 -15.6333 -15.4641 -15.4271 -5.1616 -5.1612 0.6151 0.8599 6.8874 6.9003 7.9917 8.0011 8.9233 8.9469 9.8350 9.8986 12.0423 12.3420 15.1584 15.2668 16.5269 16.5958 18.0809 18.2610 19.0860 19.1342 k = 0.2154 0.3731 0.4297 ( 1340 PWs) bands (ev): -48.7526 -48.7526 -23.1590 -23.1401 -15.6581 -15.6311 -15.4594 -15.4209 -5.1608 -5.1605 0.5903 0.8236 6.9387 6.9509 7.9912 7.9992 8.9429 8.9659 9.8073 9.8637 12.0269 12.3159 15.1722 15.2600 16.5393 16.6266 18.0172 18.1926 19.1121 19.1128 k = 0.2103 0.3642 0.4297 ( 1336 PWs) bands (ev): -48.7533 -48.7533 -23.1560 -23.1380 -15.6512 -15.6284 -15.4545 -15.4146 -5.1600 -5.1598 0.5645 0.7860 6.9916 7.0030 7.9923 7.9990 8.9621 8.9845 9.7830 9.8322 12.0069 12.2852 15.1792 15.2480 16.5608 16.6654 17.9534 18.1250 19.0820 19.1244 k = 0.2051 0.3553 0.4297 ( 1324 PWs) bands (ev): -48.7539 -48.7539 -23.1527 -23.1356 -15.6440 -15.6253 -15.4492 -15.4082 -5.1592 -5.1590 0.5374 0.7474 7.0461 7.0565 7.9952 8.0005 8.9809 9.0027 9.7621 9.8043 11.9826 12.2502 15.1790 15.2306 16.5915 16.7118 17.8899 18.0585 19.0451 19.1209 k = 0.2000 0.3464 0.4297 ( 1328 PWs) bands (ev): -48.7547 -48.7547 -23.1497 -23.1335 -15.6371 -15.6222 -15.4437 -15.4019 -5.1582 -5.1581 0.5092 0.7077 7.1019 7.1114 7.9999 8.0037 8.9993 9.0204 9.7446 9.7800 11.9542 12.2114 15.1713 15.2082 16.6313 16.7652 17.8271 17.9932 19.0042 19.1026 k = 0.1949 0.3375 0.4297 ( 1330 PWs) bands (ev): -48.7555 -48.7555 -23.1466 -23.1312 -15.6302 -15.6188 -15.4380 -15.3955 -5.1572 -5.1572 0.4799 0.6670 7.1589 7.1674 8.0064 8.0088 9.0174 9.0377 9.7305 9.7593 11.9223 12.1692 15.1563 15.1809 16.6797 16.8251 17.7651 17.9295 18.9602 19.0731 k = 0.1897 0.3286 0.4297 ( 1330 PWs) bands (ev): -48.7562 -48.7562 -23.1433 -23.1289 -15.6233 -15.6151 -15.4318 -15.3890 -5.1563 -5.1562 0.4496 0.6254 7.2170 7.2245 8.0147 8.0156 9.0352 9.0546 9.7199 9.7423 11.8872 12.1240 15.1345 15.1492 16.7357 16.8908 17.7044 17.8675 18.9138 19.0362 k = 0.1846 0.3198 0.4297 ( 1330 PWs) bands (ev): -48.7570 -48.7570 -23.1400 -23.1265 -15.6165 -15.6113 -15.4253 -15.3824 -5.1552 -5.1551 0.4183 0.5830 7.2762 7.2825 8.0242 8.0248 9.0526 9.0711 9.7128 9.7290 11.8492 12.0762 15.1065 15.1136 16.7985 16.9616 17.6450 17.8076 18.8652 18.9941 k = 0.1795 0.3109 0.4297 ( 1334 PWs) bands (ev): -48.7578 -48.7578 -23.1368 -23.1240 -15.6099 -15.6075 -15.4183 -15.3756 -5.1542 -5.1540 0.3860 0.5399 7.3361 7.3412 8.0346 8.0367 9.0696 9.0871 9.7090 9.7193 11.8087 12.0261 15.0731 15.0744 16.8670 17.0368 17.5871 17.7500 18.8148 18.9483 k = 0.1744 0.3020 0.4297 ( 1334 PWs) bands (ev): -48.7587 -48.7587 -23.1334 -23.1215 -15.6036 -15.6035 -15.4109 -15.3687 -5.1531 -5.1529 0.3528 0.4962 7.3967 7.4006 8.0468 8.0504 9.0863 9.1028 9.7087 9.7134 11.7660 11.9741 15.0321 15.0349 16.9397 17.1157 17.5310 17.6953 18.7627 18.8998 k = 0.1692 0.2931 0.4297 ( 1330 PWs) bands (ev): -48.7595 -48.7595 -23.1299 -23.1188 -15.5993 -15.5974 -15.4030 -15.3616 -5.1519 -5.1517 0.3189 0.4519 7.4578 7.4603 8.0608 8.0660 9.1027 9.1180 9.7111 9.7117 11.7215 11.9206 14.9872 14.9928 17.0153 17.1977 17.4769 17.6441 18.7093 18.8490 k = 0.1641 0.2842 0.4297 ( 1334 PWs) bands (ev): -48.7603 -48.7603 -23.1266 -23.1163 -15.5952 -15.5917 -15.3948 -15.3543 -5.1507 -5.1504 0.2842 0.4072 7.5193 7.5203 8.0765 8.0833 9.1188 9.1330 9.7125 9.7180 11.6755 11.8658 14.9400 14.9473 17.0918 17.2818 17.4251 17.5979 18.6545 18.7964 k = 0.1590 0.2754 0.4297 ( 1338 PWs) bands (ev): -48.7612 -48.7612 -23.1232 -23.1137 -15.5912 -15.5864 -15.3860 -15.3469 -5.1495 -5.1492 0.2488 0.3622 7.5804 7.5809 8.0939 8.1023 9.1345 9.1475 9.7174 9.7276 11.6283 11.8100 14.8910 14.8992 17.1656 17.3587 17.3849 17.5594 18.5986 18.7421 k = 0.1538 0.2665 0.4297 ( 1338 PWs) bands (ev): -48.7621 -48.7621 -23.1198 -23.1110 -15.5872 -15.5813 -15.3767 -15.3392 -5.1482 -5.1479 0.2129 0.3170 7.6403 7.6425 8.1130 8.1231 9.1499 9.1618 9.7259 9.7405 11.5801 11.7536 14.8405 14.8490 17.2299 17.3247 17.4593 17.5348 18.5418 18.6865 k = 0.1487 0.2576 0.4297 ( 1338 PWs) bands (ev): -48.7629 -48.7629 -23.1163 -23.1083 -15.5832 -15.5767 -15.3671 -15.3313 -5.1469 -5.1466 0.1766 0.2718 7.6999 7.7038 8.1337 8.1456 9.1651 9.1758 9.7377 9.7564 11.5313 11.6968 14.7888 14.7972 17.2723 17.2799 17.5364 17.5478 18.4843 18.6298 k = 0.1436 0.2487 0.4297 ( 1338 PWs) bands (ev): -48.7638 -48.7638 -23.1129 -23.1056 -15.5794 -15.5724 -15.3570 -15.3232 -5.1456 -5.1453 0.1398 0.2265 7.7590 7.7647 8.1560 8.1697 9.1800 9.1896 9.7529 9.7754 11.4821 11.6397 14.7363 14.7442 17.2372 17.2826 17.5734 17.6372 18.4263 18.5723 k = 0.1385 0.2398 0.4297 ( 1334 PWs) bands (ev): -48.7646 -48.7646 -23.1095 -23.1028 -15.5756 -15.5684 -15.3466 -15.3149 -5.1443 -5.1439 0.1028 0.1814 7.8174 7.8250 8.1798 8.1953 9.1946 9.2032 9.7714 9.7973 11.4327 11.5828 14.6832 14.6904 17.1972 17.2689 17.6373 17.7264 18.3681 18.5144 k = 0.1333 0.2309 0.4297 ( 1334 PWs) bands (ev): -48.7655 -48.7655 -23.1061 -23.1001 -15.5721 -15.5649 -15.3358 -15.3064 -5.1430 -5.1426 0.0657 0.1366 7.8749 7.8845 8.2051 8.2223 9.2090 9.2165 9.7929 9.8221 11.3834 11.5261 14.6297 14.6361 17.1599 17.2446 17.7143 17.8146 18.3101 18.4564 k = 0.1282 0.2221 0.4297 ( 1334 PWs) bands (ev): -48.7663 -48.7663 -23.1028 -23.0974 -15.5688 -15.5617 -15.3249 -15.2977 -5.1416 -5.1412 0.0285 0.0922 7.9314 7.9429 8.2317 8.2506 9.2232 9.2298 9.8174 9.8495 11.3345 11.4700 14.5762 14.5817 17.1255 17.2168 17.7960 17.9006 18.2530 18.3991 k = 0.1231 0.2132 0.4297 ( 1334 PWs) bands (ev): -48.7671 -48.7671 -23.0996 -23.0947 -15.5656 -15.5588 -15.3138 -15.2889 -5.1403 -5.1399 -0.0086 0.0483 7.9866 8.0001 8.2595 8.2801 9.2372 9.2429 9.8447 9.8794 11.2860 11.4146 14.5229 14.5275 17.0941 17.1887 17.8774 17.9826 18.1983 18.3440 k = 0.1179 0.2043 0.4297 ( 1334 PWs) bands (ev): -48.7680 -48.7680 -23.0964 -23.0920 -15.5626 -15.5562 -15.3025 -15.2799 -5.1389 -5.1386 -0.0455 0.0050 8.0404 8.0558 8.2884 8.3106 9.2510 9.2559 9.8747 9.9116 11.2383 11.3600 14.4699 14.4736 17.0659 17.1620 17.9519 18.0555 18.1508 18.2956 k = 0.1128 0.1954 0.4297 ( 1330 PWs) bands (ev): -48.7687 -48.7687 -23.0932 -23.0893 -15.5598 -15.5539 -15.2911 -15.2708 -5.1376 -5.1373 -0.0821 -0.0375 8.0928 8.1099 8.3183 8.3419 9.2646 9.2688 9.9071 9.9460 11.1915 11.3065 14.4174 14.4203 17.0411 17.1373 17.9964 18.1032 18.1321 18.2691 k = 0.1077 0.1865 0.4297 ( 1330 PWs) bands (ev): -48.7695 -48.7695 -23.0901 -23.0868 -15.5573 -15.5519 -15.2799 -15.2617 -5.1363 -5.1360 -0.1182 -0.0791 8.1437 8.1623 8.3490 8.3737 9.2782 9.2816 9.9417 9.9823 11.1457 11.2543 14.3657 14.3678 17.0196 17.1152 17.9798 18.0987 18.1720 18.2906 k = 0.1026 0.1776 0.4297 ( 1326 PWs) bands (ev): -48.7703 -48.7703 -23.0871 -23.0842 -15.5549 -15.5500 -15.2686 -15.2525 -5.1350 -5.1347 -0.1537 -0.1197 8.1929 8.2128 8.3803 8.4057 9.2916 9.2945 9.9783 10.0203 11.1012 11.2034 14.3148 14.3162 17.0017 17.0960 17.9350 18.0585 18.2363 18.3421 k = 0.0974 0.1688 0.4297 ( 1332 PWs) bands (ev): -48.7711 -48.7711 -23.0844 -23.0818 -15.5528 -15.5485 -15.2576 -15.2435 -5.1337 -5.1334 -0.1886 -0.1592 8.2405 8.2613 8.4119 8.4378 9.3049 9.3072 10.0167 10.0597 11.0581 11.1541 14.2649 14.2658 16.9874 17.0800 17.8844 18.0078 18.3004 18.3962 k = 0.0923 0.1599 0.4297 ( 1328 PWs) bands (ev): -48.7718 -48.7718 -23.0816 -23.0794 -15.5508 -15.5470 -15.2466 -15.2344 -5.1324 -5.1322 -0.2226 -0.1975 8.2864 8.3078 8.4436 8.4695 9.3180 9.3199 10.0566 10.1003 11.0165 11.1065 14.2162 14.2166 16.9768 17.0672 17.8330 17.9543 18.3567 18.4423 k = 0.0872 0.1510 0.4297 ( 1328 PWs) bands (ev): -48.7725 -48.7725 -23.0789 -23.0770 -15.5491 -15.5458 -15.2359 -15.2255 -5.1312 -5.1310 -0.2556 -0.2344 8.3308 8.3522 8.4750 8.5005 9.3310 9.3324 10.0976 10.1416 10.9767 11.0608 14.1688 14.1688 16.9700 17.0578 17.7824 17.9006 18.4001 18.4743 k = 0.0821 0.1421 0.4297 ( 1328 PWs) bands (ev): -48.7731 -48.7731 -23.0764 -23.0748 -15.5475 -15.5447 -15.2256 -15.2167 -5.1301 -5.1299 -0.2876 -0.2698 8.3735 8.3947 8.5059 8.5306 9.3437 9.3448 10.1396 10.1835 10.9387 11.0169 14.1225 14.1228 16.9671 17.0520 17.7333 17.8476 18.4258 18.4876 k = 0.0769 0.1332 0.4297 ( 1328 PWs) bands (ev): -48.7738 -48.7738 -23.0740 -23.0727 -15.5461 -15.5438 -15.2156 -15.2082 -5.1290 -5.1288 -0.3184 -0.3036 8.4145 8.4351 8.5359 8.5595 9.3562 9.3570 10.1820 10.2256 10.9026 10.9752 14.0779 14.0784 16.9682 17.0498 17.6861 17.7960 18.4305 18.4795 k = 0.0718 0.1244 0.4297 ( 1324 PWs) bands (ev): -48.7744 -48.7744 -23.0716 -23.0706 -15.5449 -15.5429 -15.2059 -15.1998 -5.1279 -5.1278 -0.3478 -0.3357 8.4539 8.4736 8.5648 8.5869 9.3684 9.3689 10.2247 10.2674 10.8687 10.9357 14.0350 14.0357 16.9731 17.0512 17.6414 17.7463 18.4132 18.4506 k = 0.0667 0.1155 0.4297 ( 1324 PWs) bands (ev): -48.7750 -48.7750 -23.0695 -23.0686 -15.5438 -15.5422 -15.1968 -15.1918 -5.1269 -5.1268 -0.3758 -0.3661 8.4916 8.5101 8.5922 8.6127 9.3802 9.3805 10.2671 10.3086 10.8371 10.8984 13.9941 13.9949 16.9821 17.0561 17.5993 17.6987 18.3770 18.4048 k = 0.0615 0.1066 0.4297 ( 1316 PWs) bands (ev): -48.7755 -48.7755 -23.0673 -23.0666 -15.5427 -15.5414 -15.1881 -15.1842 -5.1259 -5.1258 -0.4023 -0.3946 8.5274 8.5445 8.6180 8.6368 9.3915 9.3917 10.3088 10.3487 10.8078 10.8636 13.9552 13.9560 16.9948 17.0646 17.5602 17.6535 18.3273 18.3474 k = 0.0564 0.0977 0.4297 ( 1316 PWs) bands (ev): -48.7760 -48.7760 -23.0655 -23.0649 -15.5418 -15.5409 -15.1800 -15.1770 -5.1250 -5.1249 -0.4271 -0.4211 8.5613 8.5769 8.6421 8.6589 9.4022 9.4022 10.3495 10.3872 10.7810 10.8314 13.9185 13.9193 17.0113 17.0765 17.5245 17.6111 18.2694 18.2839 k = 0.0513 0.0888 0.4297 ( 1316 PWs) bands (ev): -48.7764 -48.7764 -23.0638 -23.0634 -15.5411 -15.5404 -15.1725 -15.1702 -5.1242 -5.1241 -0.4501 -0.4456 8.5931 8.6070 8.6643 8.6791 9.4122 9.4122 10.3885 10.4237 10.7570 10.8019 13.8842 13.8849 17.0313 17.0914 17.4925 17.5718 18.2079 18.2181 k = 0.0462 0.0799 0.4297 ( 1316 PWs) bands (ev): -48.7769 -48.7769 -23.0622 -23.0619 -15.5405 -15.5400 -15.1656 -15.1639 -5.1234 -5.1234 -0.4712 -0.4680 8.6227 8.6348 8.6845 8.6974 9.4214 9.4214 10.4254 10.4575 10.7359 10.7752 13.8524 13.8529 17.0545 17.1089 17.4646 17.5359 18.1464 18.1534 k = 0.0410 0.0711 0.4297 ( 1316 PWs) bands (ev): -48.7773 -48.7773 -23.0608 -23.0606 -15.5400 -15.5396 -15.1594 -15.1582 -5.1227 -5.1227 -0.4905 -0.4881 8.6497 8.6600 8.7030 8.7137 9.4298 9.4299 10.4597 10.4881 10.7180 10.7516 13.8232 13.8237 17.0802 17.1283 17.4414 17.5039 18.0873 18.0918 k = 0.0359 0.0622 0.4297 ( 1316 PWs) bands (ev): -48.7776 -48.7776 -23.0596 -23.0594 -15.5396 -15.5393 -15.1538 -15.1530 -5.1221 -5.1221 -0.5076 -0.5061 8.6741 8.6823 8.7196 8.7282 9.4374 9.4374 10.4906 10.5146 10.7037 10.7313 13.7969 13.7973 17.1077 17.1487 17.4236 17.4763 18.0322 18.0349 k = 0.0308 0.0533 0.4297 ( 1316 PWs) bands (ev): -48.7779 -48.7779 -23.0585 -23.0584 -15.5392 -15.5391 -15.1490 -15.1484 -5.1216 -5.1216 -0.5227 -0.5217 8.6954 8.7016 8.7345 8.7409 9.4439 9.4440 10.5174 10.5365 10.6932 10.7146 13.7736 13.7739 17.1358 17.1687 17.4118 17.4537 17.9825 17.9839 k = 0.0256 0.0444 0.4297 ( 1316 PWs) bands (ev): -48.7781 -48.7781 -23.0576 -23.0575 -15.5390 -15.5389 -15.1448 -15.1445 -5.1211 -5.1211 -0.5356 -0.5350 8.7135 8.7177 8.7476 8.7520 9.4496 9.4496 10.5395 10.5531 10.6869 10.7018 13.7536 13.7537 17.1627 17.1867 17.4067 17.4371 17.9391 17.9398 k = 0.0205 0.0355 0.4297 ( 1320 PWs) bands (ev): -48.7784 -48.7784 -23.0569 -23.0569 -15.5388 -15.5387 -15.1415 -15.1413 -5.1207 -5.1207 -0.5462 -0.5459 8.7281 8.7305 8.7589 8.7614 9.4542 9.4542 10.5562 10.5644 10.6845 10.6933 13.7369 13.7370 17.1863 17.2012 17.4084 17.4274 17.9027 17.9029 k = 0.0154 0.0266 0.4297 ( 1324 PWs) bands (ev): -48.7785 -48.7785 -23.0564 -23.0564 -15.5387 -15.5387 -15.1389 -15.1388 -5.1204 -5.1204 -0.5545 -0.5544 8.7391 8.7402 8.7682 8.7693 9.4577 9.4577 10.5674 10.5712 10.6848 10.6889 13.7238 13.7238 17.2045 17.2118 17.4153 17.4247 17.8739 17.8740 k = 0.0103 0.0178 0.4297 ( 1324 PWs) bands (ev): -48.7787 -48.7787 -23.0560 -23.0560 -15.5386 -15.5386 -15.1370 -15.1370 -5.1202 -5.1202 -0.5605 -0.5605 8.7466 8.7469 8.7750 8.7753 9.4603 9.4603 10.5737 10.5749 10.6864 10.6877 13.7143 13.7143 17.2163 17.2187 17.4244 17.4275 17.8531 17.8531 k = 0.0051 0.0089 0.4297 ( 1324 PWs) bands (ev): -48.7787 -48.7787 -23.0558 -23.0558 -15.5385 -15.5385 -15.1359 -15.1359 -5.1201 -5.1201 -0.5641 -0.5641 8.7509 8.7510 8.7792 8.7792 9.4618 9.4618 10.5766 10.5767 10.6878 10.6880 13.7085 13.7085 17.2223 17.2226 17.4319 17.4323 17.8405 17.8405 k = 0.0000 0.0000 0.4297 ( 1336 PWs) bands (ev): -48.7788 -48.7788 -23.0559 -23.0559 -15.5386 -15.5386 -15.1357 -15.1357 -5.1201 -5.1201 -0.5654 -0.5654 8.7523 8.7523 8.7805 8.7805 9.4623 9.4623 10.5773 10.5773 10.6883 10.6883 13.7066 13.7066 17.2240 17.2240 17.4346 17.4346 17.8363 17.8363 k = 0.5000 0.2887 0.4297 ( 1348 PWs) bands (ev): -48.7486 -48.7486 -23.1650 -23.1650 -15.7379 -15.7379 -15.3967 -15.3967 -5.1706 -5.1706 0.8383 0.8383 6.8654 6.8654 7.7796 7.7796 8.8770 8.8770 9.7638 9.7638 12.7875 12.7875 14.6520 14.6520 17.7860 17.7860 18.3727 18.3727 19.0720 19.0720 k = 0.5000 0.2887 0.4195 ( 1348 PWs) bands (ev): -48.7486 -48.7486 -23.1650 -23.1650 -15.7383 -15.7375 -15.3968 -15.3966 -5.1727 -5.1685 0.8377 0.8415 6.8547 6.8738 7.7803 7.7808 8.8542 8.8778 9.7474 9.7984 12.7847 12.7867 14.6469 14.6501 17.7749 17.8045 18.3538 18.3908 19.0614 19.0805 k = 0.5000 0.2887 0.4093 ( 1348 PWs) bands (ev): -48.7486 -48.7486 -23.1650 -23.1649 -15.7387 -15.7371 -15.3968 -15.3964 -5.1748 -5.1665 0.8397 0.8475 6.8419 6.8799 7.7829 7.7838 8.8127 8.8555 9.7504 9.8480 12.7784 12.7823 14.6349 14.6413 17.7705 17.8307 18.3337 18.4087 19.0490 19.0868 k = 0.5000 0.2887 0.3990 ( 1352 PWs) bands (ev): -48.7486 -48.7486 -23.1651 -23.1649 -15.7391 -15.7368 -15.3968 -15.3962 -5.1769 -5.1644 0.8445 0.8561 6.8271 6.8837 7.7873 7.7887 8.7564 8.8118 9.7713 9.9085 12.7685 12.7744 14.6163 14.6258 17.7718 17.8645 18.3122 18.4271 19.0352 19.0907 k = 0.5000 0.2887 0.3888 ( 1348 PWs) bands (ev): -48.7486 -48.7486 -23.1650 -23.1647 -15.7395 -15.7364 -15.3965 -15.3957 -5.1790 -5.1624 0.8519 0.8673 6.8104 6.8852 7.7935 7.7954 8.6885 8.7504 9.8067 9.9767 12.7551 12.7629 14.5915 14.6040 17.7775 17.9054 18.2891 18.4465 19.0204 19.0924 k = 0.5000 0.2887 0.3786 ( 1348 PWs) bands (ev): -48.7487 -48.7487 -23.1649 -23.1646 -15.7399 -15.7360 -15.3963 -15.3953 -5.1810 -5.1605 0.8621 0.8812 6.7918 6.8842 7.8017 7.8039 8.6118 8.6751 9.8528 10.0499 12.7384 12.7480 14.5609 14.5764 17.7862 17.9527 18.2645 18.4678 19.0048 19.0918 k = 0.5000 0.2887 0.3683 ( 1340 PWs) bands (ev): -48.7487 -48.7487 -23.1647 -23.1642 -15.7402 -15.7356 -15.3959 -15.3947 -5.1830 -5.1586 0.8749 0.8977 6.7716 6.8808 7.8116 7.8141 8.5282 8.5893 9.9065 10.1264 12.7184 12.7297 14.5252 14.5435 17.7962 18.0045 18.2395 18.4915 18.9890 19.0890 k = 0.5000 0.2887 0.3581 ( 1340 PWs) bands (ev): -48.7487 -48.7487 -23.1646 -23.1641 -15.7406 -15.7353 -15.3955 -15.3942 -5.1849 -5.1568 0.8903 0.9168 6.7498 6.8750 7.8233 7.8261 8.4388 8.4957 9.9654 10.2048 12.6952 12.7081 14.4850 14.5060 17.8059 18.0568 18.2173 18.5183 18.9731 19.0842 k = 0.5000 0.2887 0.3479 ( 1336 PWs) bands (ev): -48.7487 -48.7487 -23.1644 -23.1638 -15.7409 -15.7349 -15.3949 -15.3935 -5.1868 -5.1552 0.9085 0.9384 6.7267 6.8668 7.8368 7.8398 8.3448 8.3960 10.0279 10.2844 12.6689 12.6834 14.4408 14.4646 17.8137 18.0957 18.2110 18.5486 18.9574 19.0775 k = 0.5000 0.2887 0.3377 ( 1336 PWs) bands (ev): -48.7488 -48.7488 -23.1643 -23.1636 -15.7413 -15.7347 -15.3944 -15.3928 -5.1886 -5.1536 0.9292 0.9626 6.7022 6.8563 7.8520 7.8549 8.2469 8.2916 10.0929 10.3645 12.6398 12.6556 14.3934 14.4197 17.8186 18.0966 18.2445 18.5826 18.9422 19.0690 k = 0.5000 0.2887 0.3274 ( 1338 PWs) bands (ev): -48.7488 -48.7488 -23.1642 -23.1635 -15.7417 -15.7345 -15.3938 -15.3921 -5.1903 -5.1521 0.9526 0.9893 6.6767 6.8434 7.8687 7.8714 8.1457 8.1839 10.1598 10.4448 12.6079 12.6249 14.3433 14.3721 17.8195 18.0714 18.3051 18.6199 18.9278 19.0590 k = 0.5000 0.2887 0.3172 ( 1344 PWs) bands (ev): -48.7488 -48.7488 -23.1641 -23.1634 -15.7421 -15.7344 -15.3932 -15.3914 -5.1919 -5.1508 0.9786 1.0185 6.6501 6.8284 7.8866 7.8883 8.0420 8.0743 10.2280 10.5249 12.5734 12.5914 14.2910 14.3224 17.8161 18.0373 18.3748 18.6600 18.9148 19.0476 k = 0.5000 0.2887 0.3070 ( 1352 PWs) bands (ev): -48.7489 -48.7489 -23.1641 -23.1633 -15.7425 -15.7344 -15.3926 -15.3906 -5.1935 -5.1496 1.0072 1.0501 6.6226 6.8111 7.8983 7.9006 7.9414 7.9707 10.2971 10.6046 12.5365 12.5554 14.2370 14.2709 17.8082 17.9995 18.4480 18.7014 18.9039 19.0353 k = 0.5000 0.2887 0.2967 ( 1352 PWs) bands (ev): -48.7489 -48.7489 -23.1639 -23.1631 -15.7429 -15.7343 -15.3917 -15.3897 -5.1949 -5.1485 1.0382 1.0841 6.5944 6.7917 7.8220 7.8313 7.9328 7.9439 10.3670 10.6839 12.4975 12.5170 14.1818 14.2182 17.7961 17.9597 18.5224 18.7415 18.8975 19.0222 k = 0.5000 0.2887 0.2865 ( 1346 PWs) bands (ev): -48.7490 -48.7490 -23.1636 -23.1627 -15.7431 -15.7342 -15.3907 -15.3887 -5.1962 -5.1476 1.0718 1.1204 6.5654 6.7702 7.7127 7.7189 7.9548 7.9626 10.4374 10.7625 12.4564 12.4763 14.1259 14.1648 17.7800 17.9186 18.5968 18.7748 18.9004 19.0087 k = 0.5000 0.2887 0.2763 ( 1338 PWs) bands (ev): -48.7490 -48.7490 -23.1632 -23.1623 -15.7433 -15.7340 -15.3897 -15.3876 -5.1974 -5.1469 1.1079 1.1591 6.5358 6.7465 7.6013 7.6023 7.9791 7.9861 10.5081 10.8403 12.4135 12.4336 14.0695 14.1110 17.7604 17.8768 18.6701 18.7935 18.9200 18.9954 k = 0.5000 0.2887 0.2660 ( 1338 PWs) bands (ev): -48.7491 -48.7491 -23.1630 -23.1620 -15.7436 -15.7340 -15.3887 -15.3865 -5.1985 -5.1463 1.1463 1.1999 6.5055 6.7205 7.4848 7.4887 8.0049 8.0116 10.5791 10.9173 12.3690 12.3891 14.0131 14.0571 17.7377 17.8346 18.7410 18.7969 18.9562 18.9832 k = 0.5000 0.2887 0.2558 ( 1338 PWs) bands (ev): -48.7491 -48.7491 -23.1627 -23.1618 -15.7439 -15.7341 -15.3876 -15.3855 -5.1995 -5.1459 1.1870 1.2429 6.4744 6.6921 7.3675 7.3758 8.0321 8.0386 10.6502 10.9933 12.3232 12.3429 13.9568 14.0034 17.7125 17.7923 18.7920 18.8068 18.9745 19.0018 k = 0.5000 0.2887 0.2456 ( 1338 PWs) bands (ev): -48.7492 -48.7492 -23.1625 -23.1615 -15.7442 -15.7342 -15.3865 -15.3844 -5.2003 -5.1456 1.2300 1.2879 6.4426 6.6607 7.2515 7.2630 8.0604 8.0668 10.7212 11.0683 12.2763 12.2954 13.9009 13.9502 17.6852 17.7501 18.7836 18.8598 18.9769 19.0517 k = 0.5000 0.2887 0.2353 ( 1330 PWs) bands (ev): -48.7492 -48.7492 -23.1621 -23.1611 -15.7443 -15.7343 -15.3853 -15.3831 -5.2010 -5.1456 1.2752 1.3349 6.4097 6.6258 7.1379 7.1511 8.0898 8.0962 10.7920 11.1421 12.2284 12.2466 13.8457 13.8978 17.6563 17.7083 18.7738 18.8845 19.0060 19.1034 k = 0.5000 0.2887 0.2251 ( 1330 PWs) bands (ev): -48.7493 -48.7493 -23.1618 -23.1608 -15.7446 -15.7345 -15.3841 -15.3820 -5.2016 -5.1457 1.3225 1.3838 6.3753 6.5859 7.0286 7.0409 8.1202 8.1265 10.8626 11.2145 12.1800 12.1968 13.7913 13.8462 17.6262 17.6671 18.7635 18.8841 19.0584 19.1558 k = 0.5000 0.2887 0.2149 ( 1330 PWs) bands (ev): -48.7493 -48.7493 -23.1616 -23.1605 -15.7448 -15.7347 -15.3829 -15.3808 -5.2020 -5.1460 1.3717 1.4343 6.3388 6.5391 6.9260 6.9335 8.1514 8.1576 10.9326 11.2856 12.1311 12.1463 13.7380 13.7957 17.5952 17.6267 18.7531 18.8744 19.1183 19.2084 k = 0.5000 0.2887 0.2046 ( 1330 PWs) bands (ev): -48.7494 -48.7494 -23.1613 -23.1603 -15.7450 -15.7350 -15.3817 -15.3797 -5.2023 -5.1464 1.4228 1.4865 6.2991 6.4827 6.8303 6.8333 8.1832 8.1895 11.0019 11.3551 12.0823 12.0953 13.6859 13.7464 17.5637 17.5871 18.7428 18.8615 19.1795 19.2606 k = 0.5000 0.2887 0.1944 ( 1330 PWs) bands (ev): -48.7494 -48.7494 -23.1610 -23.1600 -15.7452 -15.7353 -15.3805 -15.3785 -5.2024 -5.1471 1.4755 1.5401 6.2547 6.4143 6.7333 6.7534 8.2156 8.2218 11.0702 11.4230 12.0336 12.0440 13.6352 13.6984 17.5319 17.5485 18.7327 18.8476 19.2401 19.3122 k = 0.5000 0.2887 0.1842 ( 1330 PWs) bands (ev): -48.7495 -48.7495 -23.1608 -23.1598 -15.7453 -15.7356 -15.3792 -15.3774 -5.2024 -5.1479 1.5298 1.5949 6.2039 6.3333 6.6447 6.6873 8.2484 8.2546 11.1373 11.4889 11.9857 11.9927 13.5859 13.6519 17.5002 17.5111 18.7230 18.8332 19.2992 19.3630 k = 0.5000 0.2887 0.1739 ( 1330 PWs) bands (ev): -48.7496 -48.7496 -23.1605 -23.1595 -15.7455 -15.7360 -15.3780 -15.3763 -5.2023 -5.1488 1.5854 1.6508 6.1448 6.2421 6.5668 6.6333 8.2814 8.2875 11.2029 11.5528 11.9388 11.9416 13.5383 13.6069 17.4688 17.4750 18.7138 18.8189 19.3565 19.4127 k = 0.5000 0.2887 0.1637 ( 1330 PWs) bands (ev): -48.7496 -48.7496 -23.1602 -23.1593 -15.7456 -15.7364 -15.3768 -15.3751 -5.2020 -5.1499 1.6422 1.7075 6.0765 6.1443 6.5009 6.5881 8.3145 8.3205 11.2662 11.6144 11.8911 11.8937 13.4924 13.5635 17.4378 17.4403 18.7050 18.8047 19.4117 19.4610 k = 0.5000 0.2887 0.1535 ( 1330 PWs) bands (ev): -48.7497 -48.7497 -23.1600 -23.1591 -15.7457 -15.7368 -15.3756 -15.3740 -5.2016 -5.1512 1.6998 1.7647 5.9996 6.0431 6.4469 6.5492 8.3474 8.3533 11.3267 11.6734 11.8414 11.8512 13.4485 13.5217 17.4071 17.4077 18.6967 18.7908 19.4647 19.5079 k = 0.5000 0.2887 0.1432 ( 1332 PWs) bands (ev): -48.7497 -48.7497 -23.1598 -23.1589 -15.7458 -15.7373 -15.3745 -15.3730 -5.2010 -5.1526 1.7579 1.8221 5.9161 5.9409 6.4033 6.5146 8.3799 8.3857 11.3830 11.7290 11.7935 11.8126 13.4065 13.4816 17.3754 17.3784 18.6890 18.7772 19.5153 19.5529 k = 0.5000 0.2887 0.1330 ( 1334 PWs) bands (ev): -48.7498 -48.7498 -23.1596 -23.1587 -15.7458 -15.7377 -15.3734 -15.3720 -5.2003 -5.1541 1.8164 1.8794 5.8286 5.8395 6.3680 6.4832 8.4118 8.4175 11.4330 11.7422 11.7802 11.7863 13.3668 13.4433 17.3455 17.3502 18.6818 18.7642 19.5634 19.5961 k = 0.5000 0.2887 0.1228 ( 1338 PWs) bands (ev): -48.7498 -48.7498 -23.1594 -23.1586 -15.7459 -15.7383 -15.3724 -15.3711 -5.1995 -5.1558 1.8746 1.9361 5.7395 5.7402 6.3393 6.4542 8.4429 8.4484 11.4729 11.6978 11.7578 11.8350 13.3293 13.4068 17.3173 17.3233 18.6753 18.7517 19.6087 19.6371 k = 0.5000 0.2887 0.1126 ( 1332 PWs) bands (ev): -48.7498 -48.7498 -23.1591 -23.1583 -15.7458 -15.7387 -15.3713 -15.3701 -5.1985 -5.1575 1.9323 1.9918 5.6442 5.6507 6.3157 6.4274 8.4729 8.4782 11.4974 11.6541 11.7508 11.8815 13.2944 13.3721 17.2910 17.2978 18.6695 18.7397 19.6512 19.6757 k = 0.5000 0.2887 0.1023 ( 1334 PWs) bands (ev): -48.7499 -48.7499 -23.1589 -23.1582 -15.7458 -15.7392 -15.3703 -15.3692 -5.1974 -5.1594 1.9889 2.0458 5.5523 5.5639 6.2962 6.4025 8.5017 8.5067 11.5034 11.6125 11.7623 11.9242 13.2622 13.3392 17.2667 17.2739 18.6644 18.7284 19.6906 19.7118 k = 0.5000 0.2887 0.0921 ( 1336 PWs) bands (ev): -48.7499 -48.7499 -23.1587 -23.1581 -15.7457 -15.7397 -15.3695 -15.3685 -5.1961 -5.1613 2.0439 2.0978 5.4654 5.4805 6.2801 6.3794 8.5288 8.5335 11.4944 11.5733 11.7890 11.9627 13.2329 13.3083 17.2445 17.2518 18.6599 18.7177 19.7269 19.7450 k = 0.5000 0.2887 0.0819 ( 1334 PWs) bands (ev): -48.7500 -48.7500 -23.1585 -23.1579 -15.7456 -15.7402 -15.3686 -15.3677 -5.1948 -5.1633 2.0967 2.1468 5.3844 5.4015 6.2671 6.3579 8.5541 8.5584 11.4773 11.5369 11.8241 11.9967 13.2068 13.2792 17.2243 17.2314 18.6563 18.7077 19.7600 19.7753 k = 0.5000 0.2887 0.0716 ( 1338 PWs) bands (ev): -48.7500 -48.7500 -23.1584 -23.1579 -15.7455 -15.7407 -15.3679 -15.3672 -5.1933 -5.1654 2.1464 2.1923 5.3103 5.3281 6.2569 6.3382 8.5772 8.5812 11.4571 11.5036 11.8624 12.0256 13.1840 13.2523 17.2065 17.2131 18.6533 18.6984 19.7895 19.8025 k = 0.5000 0.2887 0.0614 ( 1338 PWs) bands (ev): -48.7500 -48.7500 -23.1583 -23.1578 -15.7454 -15.7412 -15.3672 -15.3666 -5.1917 -5.1675 2.1925 2.2335 5.2438 5.2614 6.2491 6.3201 8.5980 8.6015 11.4371 11.4738 11.9009 12.0493 13.1648 13.2274 17.1909 17.1969 18.6512 18.6899 19.8156 19.8263 k = 0.5000 0.2887 0.0512 ( 1334 PWs) bands (ev): -48.7500 -48.7500 -23.1580 -23.1577 -15.7451 -15.7416 -15.3666 -15.3661 -5.1900 -5.1696 2.2341 2.2695 5.1861 5.2024 6.2438 6.3038 8.6161 8.6191 11.4188 11.4476 11.9378 12.0674 13.1494 13.2049 17.1776 17.1829 18.6498 18.6822 19.8379 19.8467 k = 0.5000 0.2887 0.0409 ( 1334 PWs) bands (ev): -48.7501 -48.7501 -23.1579 -23.1576 -15.7449 -15.7421 -15.3661 -15.3657 -5.1882 -5.1718 2.2703 2.2995 5.1378 5.1520 6.2406 6.2892 8.6314 8.6338 11.4033 11.4254 11.9721 12.0796 13.1380 13.1847 17.1668 17.1712 18.6493 18.6752 19.8565 19.8633 k = 0.5000 0.2887 0.0307 ( 1338 PWs) bands (ev): -48.7501 -48.7501 -23.1579 -23.1577 -15.7447 -15.7426 -15.3657 -15.3654 -5.1864 -5.1740 2.3004 2.3229 5.0998 5.1111 6.2397 6.2765 8.6435 8.6454 11.3912 11.4073 12.0029 12.0859 13.1307 13.1672 17.1585 17.1618 18.6496 18.6690 19.8712 19.8763 k = 0.5000 0.2887 0.0205 ( 1338 PWs) bands (ev): -48.7501 -48.7501 -23.1578 -23.1577 -15.7444 -15.7430 -15.3654 -15.3652 -5.1844 -5.1761 2.3236 2.3389 5.0727 5.0806 6.2409 6.2655 8.6525 8.6537 11.3830 11.3936 12.0296 12.0860 13.1274 13.1525 17.1527 17.1550 18.6508 18.6637 19.8821 19.8854 k = 0.5000 0.2887 0.0102 ( 1334 PWs) bands (ev): -48.7501 -48.7501 -23.1577 -23.1576 -15.7441 -15.7434 -15.3651 -15.3650 -5.1824 -5.1782 2.3394 2.3472 5.0571 5.0612 6.2441 6.2564 8.6580 8.6586 11.3790 11.3843 12.0517 12.0803 13.1281 13.1409 17.1494 17.1506 18.6527 18.6592 19.8889 19.8905 k = 0.5000 0.2887-0.0000 ( 1334 PWs) bands (ev): -48.7501 -48.7501 -23.1576 -23.1576 -15.7437 -15.7437 -15.3650 -15.3650 -5.1804 -5.1804 2.3474 2.3474 5.0533 5.0533 6.2493 6.2493 8.6601 8.6601 11.3794 11.3794 12.0687 12.0687 13.1327 13.1327 17.1487 17.1487 18.6556 18.6556 19.8917 19.8917 k = 0.3333 0.5774-0.0000 ( 1323 PWs) bands (ev): -48.7463 -48.7463 -23.1876 -23.1528 -15.7759 -15.5835 -15.5373 -15.4716 -5.1605 -4.9820 2.3045 2.3172 5.4870 5.7610 6.5439 6.5510 7.2621 7.6238 10.0003 10.0647 13.6488 13.6743 13.8566 14.0761 15.3950 15.4102 19.3515 19.6208 19.8627 20.3726 k = 0.3333 0.5774 0.0102 ( 1323 PWs) bands (ev): -48.7463 -48.7463 -23.1876 -23.1528 -15.7759 -15.5835 -15.5373 -15.4716 -5.1605 -4.9822 2.3011 2.3148 5.4922 5.7653 6.5456 6.5526 7.2602 7.6207 10.0025 10.0684 13.6460 13.6709 13.8574 14.0766 15.3969 15.4122 19.3492 19.6138 19.8669 20.3722 k = 0.3333 0.5774 0.0205 ( 1323 PWs) bands (ev): -48.7463 -48.7463 -23.1876 -23.1529 -15.7757 -15.5834 -15.5375 -15.4719 -5.1605 -4.9830 2.2908 2.3077 5.5077 5.7784 6.5507 6.5574 7.2546 7.6116 10.0092 10.0795 13.6375 13.6606 13.8600 14.0782 15.4028 15.4180 19.3425 19.5942 19.8785 20.3710 k = 0.3333 0.5774 0.0307 ( 1323 PWs) bands (ev): -48.7462 -48.7462 -23.1876 -23.1529 -15.7754 -15.5833 -15.5378 -15.4722 -5.1606 -4.9842 2.2739 2.2959 5.5333 5.7999 6.5591 6.5654 7.2454 7.5966 10.0202 10.0977 13.6232 13.6437 13.8644 14.0810 15.4125 15.4277 19.3313 19.5648 19.8943 20.3689 k = 0.3333 0.5774 0.0409 ( 1323 PWs) bands (ev): -48.7462 -48.7462 -23.1877 -23.1530 -15.7749 -15.5831 -15.5382 -15.4728 -5.1607 -4.9860 2.2508 2.2798 5.5685 5.8298 6.5709 6.5765 7.2327 7.5761 10.0354 10.1227 13.6030 13.6201 13.8704 14.0854 15.4260 15.4413 19.3160 19.5283 19.9117 20.3658 k = 0.3333 0.5774 0.0512 ( 1323 PWs) bands (ev): -48.7462 -48.7462 -23.1877 -23.1531 -15.7743 -15.5829 -15.5387 -15.4734 -5.1607 -4.9882 2.2220 2.2596 5.6129 5.8675 6.5860 6.5908 7.2167 7.5504 10.0545 10.1540 13.5768 13.5902 13.8782 14.0915 15.4432 15.4586 19.2965 19.4866 19.9291 20.3613 k = 0.3333 0.5774 0.0614 ( 1326 PWs) bands (ev): -48.7462 -48.7462 -23.1879 -23.1532 -15.7737 -15.5827 -15.5394 -15.4743 -5.1608 -4.9909 2.1880 2.2357 5.6659 5.9129 6.6044 6.6082 7.1977 7.5202 10.0774 10.1912 13.5446 13.5540 13.8878 14.0996 15.4641 15.4796 19.2732 19.4406 19.9453 20.3552 k = 0.3333 0.5774 0.0716 ( 1320 PWs) bands (ev): -48.7462 -48.7462 -23.1878 -23.1532 -15.7728 -15.5824 -15.5401 -15.4751 -5.1610 -4.9940 2.1494 2.2084 5.7267 5.9653 6.6260 6.6286 7.1760 7.4859 10.1038 10.2335 13.5064 13.5119 13.8990 14.1098 15.4887 15.5042 19.2462 19.3912 19.9595 20.3473 k = 0.3333 0.5774 0.0819 ( 1335 PWs) bands (ev): -48.7462 -48.7462 -23.1882 -23.1537 -15.7721 -15.5823 -15.5411 -15.4764 -5.1611 -4.9976 2.1069 2.1781 5.7947 6.0243 6.6509 6.6519 7.1518 7.4481 10.1333 10.2804 13.4624 13.4640 13.9120 14.1224 15.5167 15.5323 19.2159 19.3387 19.9713 20.3372 k = 0.3333 0.5774 0.0921 ( 1335 PWs) bands (ev): -48.7461 -48.7461 -23.1883 -23.1539 -15.7711 -15.5819 -15.5421 -15.4776 -5.1613 -5.0016 2.0610 2.1453 5.8692 6.0895 6.6779 6.6790 7.1256 7.4073 10.1656 10.3313 13.4109 13.4127 13.9267 14.1373 15.5481 15.5638 19.1823 19.2835 19.9804 20.3246 k = 0.3333 0.5774 0.1023 ( 1326 PWs) bands (ev): -48.7461 -48.7461 -23.1883 -23.1539 -15.7698 -15.5813 -15.5431 -15.4788 -5.1614 -5.0060 2.0124 2.1103 5.9496 6.1603 6.7066 6.7103 7.0979 7.3641 10.2003 10.3857 13.3526 13.3578 13.9431 14.1546 15.5829 15.5987 19.1459 19.2259 19.9867 20.3093 k = 0.3333 0.5774 0.1126 ( 1326 PWs) bands (ev): -48.7460 -48.7460 -23.1884 -23.1541 -15.7686 -15.5809 -15.5442 -15.4803 -5.1616 -5.0108 1.9616 2.0736 6.0350 6.2361 6.7374 6.7446 7.0691 7.3189 10.2372 10.4429 13.2896 13.2978 13.9612 14.1741 15.6208 15.6368 19.1067 19.1659 19.9900 20.2910 k = 0.3333 0.5774 0.1228 ( 1320 PWs) bands (ev): -48.7460 -48.7460 -23.1884 -23.1542 -15.7671 -15.5803 -15.5454 -15.4817 -5.1618 -5.0159 1.9091 2.0355 6.1250 6.3166 6.7699 6.7820 7.0402 7.2721 10.2759 10.5024 13.2222 13.2332 13.9810 14.1959 15.6620 15.6781 19.0650 19.1038 19.9902 20.2694 k = 0.3333 0.5774 0.1330 ( 1320 PWs) bands (ev): -48.7459 -48.7459 -23.1886 -23.1544 -15.7658 -15.5798 -15.5467 -15.4833 -5.1620 -5.0214 1.8555 1.9965 6.2188 6.4010 6.8025 6.8223 7.0128 7.2243 10.3160 10.5636 13.1507 13.1643 14.0024 14.2199 15.7061 15.7224 19.0209 19.0397 19.9873 20.2445 k = 0.3333 0.5774 0.1432 ( 1332 PWs) bands (ev): -48.7459 -48.7459 -23.1890 -23.1549 -15.7645 -15.5795 -15.5481 -15.4852 -5.1622 -5.0271 1.8012 1.9568 6.3159 6.4891 6.8318 6.8656 6.9904 7.1758 10.3573 10.6262 13.0754 13.0915 14.0255 14.2459 15.7532 15.7697 18.9735 18.9746 19.9813 20.2161 k = 0.3333 0.5774 0.1535 ( 1326 PWs) bands (ev): -48.7458 -48.7458 -23.1891 -23.1550 -15.7629 -15.5789 -15.5494 -15.4868 -5.1624 -5.0331 1.7465 1.9167 6.4157 6.5802 6.8493 6.9117 6.9819 7.1270 10.3994 10.6896 12.9967 13.0151 14.0501 14.2740 15.8032 15.8198 18.9056 18.9262 19.9723 20.1843 k = 0.3333 0.5774 0.1637 ( 1326 PWs) bands (ev): -48.7458 -48.7458 -23.1892 -23.1553 -15.7613 -15.5783 -15.5509 -15.4886 -5.1626 -5.0394 1.6918 1.8765 6.5177 6.6740 6.8454 6.9606 6.9969 7.0781 10.4420 10.7535 12.9150 12.9354 14.0764 14.3039 15.8559 15.8727 18.8359 18.8758 19.9604 20.1490 k = 0.3333 0.5774 0.1739 ( 1326 PWs) bands (ev): -48.7457 -48.7457 -23.1894 -23.1556 -15.7597 -15.5777 -15.5524 -15.4905 -5.1629 -5.0458 1.6375 1.8365 6.6212 6.7698 6.8247 7.0122 7.0296 7.0310 10.4849 10.8174 12.8305 12.8530 14.1041 14.3356 15.9112 15.9283 18.7646 18.8236 19.9457 20.1104 k = 0.3333 0.5774 0.1842 ( 1326 PWs) bands (ev): -48.7457 -48.7457 -23.1896 -23.1559 -15.7580 -15.5771 -15.5540 -15.4925 -5.1631 -5.0524 1.5837 1.7970 6.7256 6.7964 6.8668 6.9820 7.0666 7.0749 10.5277 10.8810 12.7436 12.7681 14.1332 14.3689 15.9690 15.9863 18.6917 18.7695 19.9284 20.0688 k = 0.3333 0.5774 0.1944 ( 1332 PWs) bands (ev): -48.7457 -48.7457 -23.1899 -23.1563 -15.7563 -15.5765 -15.5557 -15.4946 -5.1633 -5.0591 1.5308 1.7580 6.7651 6.8305 6.9300 6.9703 7.1237 7.1242 10.5703 10.9440 12.6546 12.6811 14.1638 14.4037 16.0291 16.0466 18.6175 18.7138 19.9087 20.0246 k = 0.3333 0.5774 0.2046 ( 1344 PWs) bands (ev): -48.7456 -48.7456 -23.1903 -23.1568 -15.7547 -15.5760 -15.5575 -15.4968 -5.1636 -5.0659 1.4790 1.7198 6.7327 6.8861 6.9349 7.0674 7.1769 7.1837 10.6125 11.0061 12.5639 12.5923 14.1955 14.4399 16.0913 16.1091 18.5420 18.6564 19.8869 19.9780 k = 0.3333 0.5774 0.2149 ( 1344 PWs) bands (ev): -48.7456 -48.7456 -23.1905 -23.1571 -15.7529 -15.5754 -15.5591 -15.4988 -5.1638 -5.0727 1.4285 1.6825 6.7001 6.8410 7.0381 7.1672 7.2322 7.2468 10.6539 11.0669 12.4718 12.5021 14.2285 14.4772 16.1555 16.1736 18.4655 18.5975 19.8633 19.9297 k = 0.3333 0.5774 0.2251 ( 1350 PWs) bands (ev): -48.7455 -48.7455 -23.1908 -23.1575 -15.7513 -15.5748 -15.5608 -15.5009 -5.1641 -5.0796 1.3794 1.6464 6.6678 6.7969 7.1390 7.2672 7.2896 7.3135 10.6944 11.1263 12.3787 12.4110 14.2624 14.5156 16.2214 16.2398 18.3883 18.5371 19.8382 19.8802 k = 0.3333 0.5774 0.2353 ( 1350 PWs) bands (ev): -48.7455 -48.7455 -23.1910 -23.1578 -15.7495 -15.5742 -15.5624 -15.5029 -5.1643 -5.0864 1.3320 1.6114 6.6360 6.7541 7.2361 7.3487 7.3667 7.3845 10.7339 11.1839 12.2849 12.3192 14.2973 14.5548 16.2889 16.3075 18.3105 18.4755 19.8119 19.8300 k = 0.3333 0.5774 0.2456 ( 1350 PWs) bands (ev): -48.7454 -48.7454 -23.1912 -23.1581 -15.7478 -15.5736 -15.5640 -15.5049 -5.1645 -5.0931 1.2863 1.5778 6.6050 6.7129 7.3278 7.4092 7.4609 7.4654 10.7720 11.2396 12.1909 12.2272 14.3328 14.5946 16.3576 16.3764 18.2324 18.4128 19.7797 19.7848 k = 0.3333 0.5774 0.2558 ( 1347 PWs) bands (ev): -48.7454 -48.7454 -23.1914 -23.1583 -15.7461 -15.5730 -15.5654 -15.5068 -5.1647 -5.0998 1.2425 1.5456 6.5750 6.6733 7.4132 7.4708 7.5427 7.5626 10.8088 11.2931 12.0969 12.1354 14.3689 14.6348 16.4272 16.4463 18.1544 18.3492 19.7300 19.7572 k = 0.3333 0.5774 0.2660 ( 1347 PWs) bands (ev): -48.7453 -48.7453 -23.1915 -23.1586 -15.7444 -15.5724 -15.5669 -15.5086 -5.1650 -5.1063 1.2007 1.5150 6.5462 6.6354 7.4926 7.5331 7.6290 7.6579 10.8440 11.3444 12.0034 12.0441 14.4053 14.6751 16.4974 16.5167 18.0769 18.2850 19.6814 19.7295 k = 0.3333 0.5774 0.2763 ( 1347 PWs) bands (ev): -48.7453 -48.7453 -23.1917 -23.1589 -15.7428 -15.5718 -15.5684 -15.5105 -5.1652 -5.1126 1.1611 1.4859 6.5186 6.5995 7.5676 7.5958 7.7174 7.7509 10.8775 11.3931 11.9108 11.9539 14.4418 14.7153 16.5678 16.5873 18.0004 18.2206 19.6343 19.7020 k = 0.3333 0.5774 0.2865 ( 1347 PWs) bands (ev): -48.7452 -48.7452 -23.1919 -23.1591 -15.7413 -15.5713 -15.5698 -15.5122 -5.1654 -5.1187 1.1236 1.4584 6.4923 6.5655 7.6393 7.6585 7.8059 7.8411 10.9091 11.4392 11.8196 11.8652 14.4780 14.7552 16.6380 16.6576 17.9251 18.1564 19.5893 19.6751 k = 0.3333 0.5774 0.2967 ( 1353 PWs) bands (ev): -48.7452 -48.7452 -23.1922 -23.1595 -15.7398 -15.5713 -15.5707 -15.5141 -5.1656 -5.1245 1.0884 1.4326 6.4675 6.5335 7.7088 7.7208 7.8926 7.9280 10.9387 11.4825 11.7302 11.7786 14.5138 14.7943 16.7075 16.7273 17.8517 18.0928 19.5467 19.6490 k = 0.3333 0.5774 0.3070 ( 1353 PWs) bands (ev): -48.7451 -48.7451 -23.1923 -23.1597 -15.7383 -15.5726 -15.5702 -15.5157 -5.1658 -5.1301 1.0555 1.4087 6.4442 6.5036 7.7762 7.7823 7.9764 8.0111 10.9661 11.5230 11.6431 11.6945 14.5489 14.8324 16.7758 16.7956 17.7807 18.0304 19.5069 19.6240 k = 0.3333 0.5774 0.3172 ( 1347 PWs) bands (ev): -48.7451 -48.7451 -23.1924 -23.1598 -15.7369 -15.5737 -15.5697 -15.5171 -5.1659 -5.1354 1.0251 1.3865 6.4226 6.4759 7.8415 7.8425 8.0564 8.0898 10.9912 11.5590 11.5605 11.6137 14.5828 14.8692 16.8424 16.8621 17.7126 17.9697 19.4701 19.6004 k = 0.3333 0.5774 0.3274 ( 1350 PWs) bands (ev): -48.7451 -48.7451 -23.1926 -23.1601 -15.7358 -15.5749 -15.5693 -15.5186 -5.1661 -5.1403 0.9971 1.3661 6.4026 6.4505 7.9009 7.9044 8.1318 8.1639 11.0138 11.4784 11.5369 11.5949 14.6154 14.9044 16.9066 16.9262 17.6480 17.9113 19.4364 19.5784 k = 0.3333 0.5774 0.3377 ( 1356 PWs) bands (ev): -48.7450 -48.7450 -23.1928 -23.1604 -15.7347 -15.5760 -15.5689 -15.5200 -5.1662 -5.1448 0.9716 1.3476 6.3844 6.4273 7.9568 7.9646 8.2018 8.2326 11.0336 11.4020 11.4650 11.6263 14.6462 14.9375 16.9679 16.9871 17.5873 17.8559 19.4061 19.5582 k = 0.3333 0.5774 0.3479 ( 1356 PWs) bands (ev): -48.7450 -48.7450 -23.1929 -23.1606 -15.7336 -15.5769 -15.5686 -15.5211 -5.1664 -5.1489 0.9487 1.3309 6.3680 6.4064 8.0097 8.0213 8.2661 8.2956 11.0501 11.3305 11.3990 11.6544 14.6749 14.9683 17.0256 17.0443 17.5313 17.8040 19.3792 19.5399 k = 0.3333 0.5774 0.3581 ( 1350 PWs) bands (ev): -48.7450 -48.7450 -23.1929 -23.1606 -15.7327 -15.5776 -15.5682 -15.5220 -5.1665 -5.1526 0.9285 1.3162 6.3534 6.3879 8.0588 8.0741 8.3240 8.3524 11.0629 11.2647 11.3402 11.6794 14.7012 14.9965 17.0790 17.0969 17.4803 17.7563 19.3557 19.5237 k = 0.3333 0.5774 0.3683 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1930 -23.1608 -15.7318 -15.5784 -15.5679 -15.5230 -5.1666 -5.1558 0.9108 1.3035 6.3406 6.3718 8.1035 8.1221 8.3752 8.4027 11.0708 11.2054 11.2902 11.7011 14.7247 15.0216 17.1274 17.1444 17.4350 17.7132 19.3355 19.5097 k = 0.3333 0.5774 0.3786 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1931 -23.1609 -15.7311 -15.5790 -15.5677 -15.5238 -5.1667 -5.1586 0.8958 1.2926 6.3298 6.3581 8.1429 8.1645 8.4191 8.4459 11.0727 11.1533 11.2511 11.7194 14.7453 15.0435 17.1701 17.1859 17.3958 17.6753 19.3187 19.4978 k = 0.3333 0.5774 0.3888 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1932 -23.1610 -15.7306 -15.5795 -15.5675 -15.5244 -5.1668 -5.1609 0.8836 1.2837 6.3209 6.3469 8.1764 8.2007 8.4555 8.4817 11.0681 11.1094 11.2241 11.7345 14.7625 15.0618 17.2065 17.2209 17.3631 17.6431 19.3051 19.4882 k = 0.3333 0.5774 0.3990 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1932 -23.1611 -15.7301 -15.5799 -15.5673 -15.5250 -5.1668 -5.1627 0.8740 1.2768 6.3140 6.3382 8.2032 8.2297 8.4841 8.5100 11.0584 11.0743 11.2083 11.7463 14.7761 15.0763 17.2360 17.2488 17.3372 17.6172 19.2946 19.4807 k = 0.3333 0.5774 0.4093 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1933 -23.1612 -15.7298 -15.5802 -15.5672 -15.5253 -5.1669 -5.1640 0.8671 1.2719 6.3090 6.3319 8.2229 8.2510 8.5046 8.5303 11.0477 11.0486 11.2004 11.7547 14.7860 15.0868 17.2577 17.2690 17.3185 17.5981 19.2872 19.4755 k = 0.3333 0.5774 0.4195 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1933 -23.1612 -15.7296 -15.5804 -15.5671 -15.5255 -5.1669 -5.1648 0.8630 1.2689 6.3060 6.3281 8.2349 8.2641 8.5170 8.5426 11.0330 11.0396 11.1970 11.7597 14.7920 15.0932 17.2711 17.2814 17.3072 17.5863 19.2828 19.4723 k = 0.3333 0.5774 0.4297 ( 1350 PWs) bands (ev): -48.7449 -48.7449 -23.1933 -23.1612 -15.7295 -15.5805 -15.5671 -15.5256 -5.1669 -5.1650 0.8616 1.2679 6.3050 6.3269 8.2389 8.2684 8.5211 8.5467 11.0278 11.0367 11.1961 11.7614 14.7940 15.0953 17.2756 17.2855 17.3034 17.5824 19.2814 19.4713 Writing output data file HfN2.save init_run : 3.21s CPU 13.22s WALL ( 1 calls) electrons : 189.82s CPU 194.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.33s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 189.76s CPU 193.86s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.83s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.15s CPU 0.45s WALL ( 1 calls) newd : 0.08s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 443 calls) cegterg : 152.28s CPU 153.61s WALL ( 734 calls) Called by sum_band: Called by *egterg: h_psi : 69.52s CPU 74.28s WALL ( 11127 calls) s_psi : 4.88s CPU 5.77s WALL ( 11127 calls) g_psi : 0.07s CPU 0.17s WALL ( 9950 calls) cdiaghg : 57.18s CPU 55.56s WALL ( 10393 calls) cegterg:over : 14.10s CPU 11.90s WALL ( 9950 calls) cegterg:upda : 0.59s CPU 1.81s WALL ( 9950 calls) cegterg:last : 0.79s CPU 1.42s WALL ( 2065 calls) Called by h_psi: h_psi:vloc : 57.42s CPU 62.18s WALL ( 11127 calls) h_psi:vnl : 12.08s CPU 11.98s WALL ( 11127 calls) add_vuspsi : 2.02s CPU 4.02s WALL ( 11127 calls) General routines calbec : 10.04s CPU 7.87s WALL ( 11127 calls) fft : 0.32s CPU 1.37s WALL ( 19 calls) ffts : 0.04s CPU 0.10s WALL ( 4 calls) fftw : 55.53s CPU 59.66s WALL ( 757476 calls) interpolate : 0.10s CPU 0.15s WALL ( 4 calls) davcio : 0.02s CPU 2.74s WALL ( 886 calls) Parallel routines fft_scatter : 41.63s CPU 43.56s WALL ( 757499 calls) PWSCF : 4m 0.76s CPU 6m36.45s WALL This run was terminated on: 17:37:36 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=