Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZnO.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 10 3 657 282 47 Max 18 11 4 666 302 53 Sum 847 499 151 31719 14053 2357 bravais-lattice index = 14 lattice parameter (alat) = 6.1405 a.u. unit-cell volume = 321.2089 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.140476 celldm(2)= 1.000000 celldm(3)= 1.601957 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 1.601957 ) 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 0.624236 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 PseudoPot. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8009786 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8009786 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8009786 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8009786 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8009786 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8009786 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 410 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 2) = ( 0.0089286 0.0051549 -0.0000000), wk = 0.0024390 k( 3) = ( 0.0178571 0.0103098 -0.0000000), wk = 0.0024390 k( 4) = ( 0.0267857 0.0154647 -0.0000000), wk = 0.0024390 k( 5) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0024390 k( 6) = ( 0.0446429 0.0257746 -0.0000000), wk = 0.0024390 k( 7) = ( 0.0535714 0.0309295 -0.0000000), wk = 0.0024390 k( 8) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0024390 k( 9) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0024390 k( 10) = ( 0.0803571 0.0463942 -0.0000000), wk = 0.0024390 k( 11) = ( 0.0892857 0.0515491 -0.0000000), wk = 0.0024390 k( 12) = ( 0.0982143 0.0567040 -0.0000000), wk = 0.0024390 k( 13) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0024390 k( 14) = ( 0.1160714 0.0670139 -0.0000000), wk = 0.0024390 k( 15) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0024390 k( 16) = ( 0.1339286 0.0773237 -0.0000000), wk = 0.0024390 k( 17) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0024390 k( 18) = ( 0.1517857 0.0876335 -0.0000000), wk = 0.0024390 k( 19) = ( 0.1607143 0.0927884 -0.0000000), wk = 0.0024390 k( 20) = ( 0.1696429 0.0979434 -0.0000000), wk = 0.0024390 k( 21) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0024390 k( 22) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0024390 k( 23) = ( 0.1964286 0.1134081 -0.0000000), wk = 0.0024390 k( 24) = ( 0.2053571 0.1185630 -0.0000000), wk = 0.0024390 k( 25) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0024390 k( 26) = ( 0.2232143 0.1288728 -0.0000000), wk = 0.0024390 k( 27) = ( 0.2321429 0.1340277 -0.0000000), wk = 0.0024390 k( 28) = ( 0.2410714 0.1391827 -0.0000000), wk = 0.0024390 k( 29) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0024390 k( 30) = ( 0.2589286 0.1494925 -0.0000000), wk = 0.0024390 k( 31) = ( 0.2678571 0.1546474 -0.0000000), wk = 0.0024390 k( 32) = ( 0.2767857 0.1598023 -0.0000000), wk = 0.0024390 k( 33) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0024390 k( 34) = ( 0.2946429 0.1701121 -0.0000000), wk = 0.0024390 k( 35) = ( 0.3035714 0.1752670 -0.0000000), wk = 0.0024390 k( 36) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0024390 k( 37) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0024390 k( 38) = ( 0.3303571 0.1907318 -0.0000000), wk = 0.0024390 k( 39) = ( 0.3392857 0.1958867 -0.0000000), wk = 0.0024390 k( 40) = ( 0.3482143 0.2010416 -0.0000000), wk = 0.0024390 k( 41) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0024390 k( 42) = ( 0.3660714 0.2113514 -0.0000000), wk = 0.0024390 k( 43) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0024390 k( 44) = ( 0.3839286 0.2216613 -0.0000000), wk = 0.0024390 k( 45) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0024390 k( 46) = ( 0.4017857 0.2319711 -0.0000000), wk = 0.0024390 k( 47) = ( 0.4107143 0.2371260 -0.0000000), wk = 0.0024390 k( 48) = ( 0.4196429 0.2422809 -0.0000000), wk = 0.0024390 k( 49) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0024390 k( 50) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0024390 k( 51) = ( 0.4464286 0.2577457 -0.0000000), wk = 0.0024390 k( 52) = ( 0.4553571 0.2629006 -0.0000000), wk = 0.0024390 k( 53) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0024390 k( 54) = ( 0.4732143 0.2732104 -0.0000000), wk = 0.0024390 k( 55) = ( 0.4821429 0.2783653 -0.0000000), wk = 0.0024390 k( 56) = ( 0.4910714 0.2835202 -0.0000000), wk = 0.0024390 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024390 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024390 k( 59) = ( 0.4949495 0.2974229 -0.0000000), wk = 0.0024390 k( 60) = ( 0.4898990 0.3061706 -0.0000000), wk = 0.0024390 k( 61) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0024390 k( 62) = ( 0.4797980 0.3236661 -0.0000000), wk = 0.0024390 k( 63) = ( 0.4747475 0.3324138 -0.0000000), wk = 0.0024390 k( 64) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0024390 k( 65) = ( 0.4646465 0.3499093 -0.0000000), wk = 0.0024390 k( 66) = ( 0.4595960 0.3586570 -0.0000000), wk = 0.0024390 k( 67) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0024390 k( 68) = ( 0.4494950 0.3761524 -0.0000000), wk = 0.0024390 k( 69) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0024390 k( 70) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0024390 k( 71) = ( 0.4343434 0.4023956 -0.0000000), wk = 0.0024390 k( 72) = ( 0.4292929 0.4111434 -0.0000000), wk = 0.0024390 k( 73) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0024390 k( 74) = ( 0.4191919 0.4286388 -0.0000000), wk = 0.0024390 k( 75) = ( 0.4141414 0.4373866 -0.0000000), wk = 0.0024390 k( 76) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0024390 k( 77) = ( 0.4040404 0.4548820 -0.0000000), wk = 0.0024390 k( 78) = ( 0.3989899 0.4636298 -0.0000000), wk = 0.0024390 k( 79) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0024390 k( 80) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0024390 k( 81) = ( 0.3838384 0.4898730 -0.0000000), wk = 0.0024390 k( 82) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0024390 k( 83) = ( 0.3737374 0.5073684 -0.0000000), wk = 0.0024390 k( 84) = ( 0.3686869 0.5161161 -0.0000000), wk = 0.0024390 k( 85) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0024390 k( 86) = ( 0.3585859 0.5336116 -0.0000000), wk = 0.0024390 k( 87) = ( 0.3535354 0.5423593 -0.0000000), wk = 0.0024390 k( 88) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0024390 k( 89) = ( 0.3434343 0.5598548 -0.0000000), wk = 0.0024390 k( 90) = ( 0.3383838 0.5686025 -0.0000000), wk = 0.0024390 k( 91) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024390 k( 92) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024390 k( 93) = ( 0.3282051 0.5684680 -0.0000000), wk = 0.0024390 k( 94) = ( 0.3230769 0.5595856 -0.0000000), wk = 0.0024390 k( 95) = ( 0.3179487 0.5507033 -0.0000000), wk = 0.0024390 k( 96) = ( 0.3128205 0.5418210 -0.0000000), wk = 0.0024390 k( 97) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0024390 k( 98) = ( 0.3025641 0.5240564 -0.0000000), wk = 0.0024390 k( 99) = ( 0.2974359 0.5151741 -0.0000000), wk = 0.0024390 k( 100) = ( 0.2923077 0.5062918 -0.0000000), wk = 0.0024390 k( 101) = ( 0.2871795 0.4974095 -0.0000000), wk = 0.0024390 k( 102) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0024390 k( 103) = ( 0.2769231 0.4796448 -0.0000000), wk = 0.0024390 k( 104) = ( 0.2717949 0.4707625 -0.0000000), wk = 0.0024390 k( 105) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0024390 k( 106) = ( 0.2615385 0.4529979 -0.0000000), wk = 0.0024390 k( 107) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0024390 k( 108) = ( 0.2512820 0.4352333 -0.0000000), wk = 0.0024390 k( 109) = ( 0.2461539 0.4263510 -0.0000000), wk = 0.0024390 k( 110) = ( 0.2410256 0.4174687 -0.0000000), wk = 0.0024390 k( 111) = ( 0.2358974 0.4085864 -0.0000000), wk = 0.0024390 k( 112) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0024390 k( 113) = ( 0.2256410 0.3908217 -0.0000000), wk = 0.0024390 k( 114) = ( 0.2205128 0.3819394 -0.0000000), wk = 0.0024390 k( 115) = ( 0.2153846 0.3730571 -0.0000000), wk = 0.0024390 k( 116) = ( 0.2102564 0.3641748 -0.0000000), wk = 0.0024390 k( 117) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0024390 k( 118) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0024390 k( 119) = ( 0.1948718 0.3375278 -0.0000000), wk = 0.0024390 k( 120) = ( 0.1897436 0.3286455 -0.0000000), wk = 0.0024390 k( 121) = ( 0.1846154 0.3197632 -0.0000000), wk = 0.0024390 k( 122) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0024390 k( 123) = ( 0.1743590 0.3019986 -0.0000000), wk = 0.0024390 k( 124) = ( 0.1692308 0.2931163 -0.0000000), wk = 0.0024390 k( 125) = ( 0.1641026 0.2842340 -0.0000000), wk = 0.0024390 k( 126) = ( 0.1589744 0.2753517 -0.0000000), wk = 0.0024390 k( 127) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0024390 k( 128) = ( 0.1487179 0.2575870 -0.0000000), wk = 0.0024390 k( 129) = ( 0.1435897 0.2487047 -0.0000000), wk = 0.0024390 k( 130) = ( 0.1384615 0.2398224 -0.0000000), wk = 0.0024390 k( 131) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0024390 k( 132) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0024390 k( 133) = ( 0.1230769 0.2131755 -0.0000000), wk = 0.0024390 k( 134) = ( 0.1179487 0.2042932 -0.0000000), wk = 0.0024390 k( 135) = ( 0.1128205 0.1954109 -0.0000000), wk = 0.0024390 k( 136) = ( 0.1076923 0.1865286 -0.0000000), wk = 0.0024390 k( 137) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0024390 k( 138) = ( 0.0974359 0.1687639 -0.0000000), wk = 0.0024390 k( 139) = ( 0.0923077 0.1598816 -0.0000000), wk = 0.0024390 k( 140) = ( 0.0871795 0.1509993 -0.0000000), wk = 0.0024390 k( 141) = ( 0.0820513 0.1421170 -0.0000000), wk = 0.0024390 k( 142) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0024390 k( 143) = ( 0.0717949 0.1243524 -0.0000000), wk = 0.0024390 k( 144) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0024390 k( 145) = ( 0.0615385 0.1065877 -0.0000000), wk = 0.0024390 k( 146) = ( 0.0564103 0.0977054 -0.0000000), wk = 0.0024390 k( 147) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0024390 k( 148) = ( 0.0461539 0.0799408 -0.0000000), wk = 0.0024390 k( 149) = ( 0.0410256 0.0710585 -0.0000000), wk = 0.0024390 k( 150) = ( 0.0358974 0.0621762 -0.0000000), wk = 0.0024390 k( 151) = ( 0.0307692 0.0532939 -0.0000000), wk = 0.0024390 k( 152) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0024390 k( 153) = ( 0.0205128 0.0355292 -0.0000000), wk = 0.0024390 k( 154) = ( 0.0153846 0.0266469 -0.0000000), wk = 0.0024390 k( 155) = ( 0.0102564 0.0177646 -0.0000000), wk = 0.0024390 k( 156) = ( 0.0051282 0.0088823 -0.0000000), wk = 0.0024390 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 159) = ( 0.0000000 0.0000000 0.0100683), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.0201367), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.0302050), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.0402733), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.0503416), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.0604100), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.0704783), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.0805466), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.0906150), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.1006833), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.1107516), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.1208199), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.1308883), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.1409566), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.1510249), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.1610933), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.1711616), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.1812299), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.1912982), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.2013666), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.2114349), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.2215032), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.2315716), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.2416399), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.2517082), wk = 0.0024390 k( 184) = ( 0.0000000 0.0000000 0.2617765), wk = 0.0024390 k( 185) = ( 0.0000000 0.0000000 0.2718449), wk = 0.0024390 k( 186) = ( 0.0000000 0.0000000 0.2819132), wk = 0.0024390 k( 187) = ( 0.0000000 0.0000000 0.2919815), wk = 0.0024390 k( 188) = ( 0.0000000 0.0000000 0.3020499), wk = 0.0024390 k( 189) = ( 0.0000000 0.0000000 0.3121182), wk = 0.0024390 k( 190) = ( 0.0000000 0.0000000 0.3121182), wk = 0.0024390 k( 191) = ( 0.0089286 0.0051549 0.3121182), wk = 0.0024390 k( 192) = ( 0.0178571 0.0103098 0.3121182), wk = 0.0024390 k( 193) = ( 0.0267857 0.0154647 0.3121182), wk = 0.0024390 k( 194) = ( 0.0357143 0.0206197 0.3121182), wk = 0.0024390 k( 195) = ( 0.0446429 0.0257746 0.3121182), wk = 0.0024390 k( 196) = ( 0.0535714 0.0309295 0.3121182), wk = 0.0024390 k( 197) = ( 0.0625000 0.0360844 0.3121182), wk = 0.0024390 k( 198) = ( 0.0714286 0.0412393 0.3121182), wk = 0.0024390 k( 199) = ( 0.0803571 0.0463942 0.3121182), wk = 0.0024390 k( 200) = ( 0.0892857 0.0515491 0.3121182), wk = 0.0024390 k( 201) = ( 0.0982143 0.0567040 0.3121182), wk = 0.0024390 k( 202) = ( 0.1071429 0.0618590 0.3121182), wk = 0.0024390 k( 203) = ( 0.1160714 0.0670139 0.3121182), wk = 0.0024390 k( 204) = ( 0.1250000 0.0721688 0.3121182), wk = 0.0024390 k( 205) = ( 0.1339286 0.0773237 0.3121182), wk = 0.0024390 k( 206) = ( 0.1428571 0.0824786 0.3121182), wk = 0.0024390 k( 207) = ( 0.1517857 0.0876335 0.3121182), wk = 0.0024390 k( 208) = ( 0.1607143 0.0927884 0.3121182), wk = 0.0024390 k( 209) = ( 0.1696429 0.0979434 0.3121182), wk = 0.0024390 k( 210) = ( 0.1785714 0.1030983 0.3121182), wk = 0.0024390 k( 211) = ( 0.1875000 0.1082532 0.3121182), wk = 0.0024390 k( 212) = ( 0.1964286 0.1134081 0.3121182), wk = 0.0024390 k( 213) = ( 0.2053571 0.1185630 0.3121182), wk = 0.0024390 k( 214) = ( 0.2142857 0.1237179 0.3121182), wk = 0.0024390 k( 215) = ( 0.2232143 0.1288728 0.3121182), wk = 0.0024390 k( 216) = ( 0.2321429 0.1340277 0.3121182), wk = 0.0024390 k( 217) = ( 0.2410714 0.1391827 0.3121182), wk = 0.0024390 k( 218) = ( 0.2500000 0.1443376 0.3121182), wk = 0.0024390 k( 219) = ( 0.2589286 0.1494925 0.3121182), wk = 0.0024390 k( 220) = ( 0.2678571 0.1546474 0.3121182), wk = 0.0024390 k( 221) = ( 0.2767857 0.1598023 0.3121182), wk = 0.0024390 k( 222) = ( 0.2857143 0.1649572 0.3121182), wk = 0.0024390 k( 223) = ( 0.2946429 0.1701121 0.3121182), wk = 0.0024390 k( 224) = ( 0.3035714 0.1752670 0.3121182), wk = 0.0024390 k( 225) = ( 0.3125000 0.1804220 0.3121182), wk = 0.0024390 k( 226) = ( 0.3214286 0.1855769 0.3121182), wk = 0.0024390 k( 227) = ( 0.3303571 0.1907318 0.3121182), wk = 0.0024390 k( 228) = ( 0.3392857 0.1958867 0.3121182), wk = 0.0024390 k( 229) = ( 0.3482143 0.2010416 0.3121182), wk = 0.0024390 k( 230) = ( 0.3571429 0.2061965 0.3121182), wk = 0.0024390 k( 231) = ( 0.3660714 0.2113514 0.3121182), wk = 0.0024390 k( 232) = ( 0.3750000 0.2165064 0.3121182), wk = 0.0024390 k( 233) = ( 0.3839286 0.2216613 0.3121182), wk = 0.0024390 k( 234) = ( 0.3928571 0.2268162 0.3121182), wk = 0.0024390 k( 235) = ( 0.4017857 0.2319711 0.3121182), wk = 0.0024390 k( 236) = ( 0.4107143 0.2371260 0.3121182), wk = 0.0024390 k( 237) = ( 0.4196429 0.2422809 0.3121182), wk = 0.0024390 k( 238) = ( 0.4285714 0.2474358 0.3121182), wk = 0.0024390 k( 239) = ( 0.4375000 0.2525907 0.3121182), wk = 0.0024390 k( 240) = ( 0.4464286 0.2577457 0.3121182), wk = 0.0024390 k( 241) = ( 0.4553571 0.2629006 0.3121182), wk = 0.0024390 k( 242) = ( 0.4642857 0.2680555 0.3121182), wk = 0.0024390 k( 243) = ( 0.4732143 0.2732104 0.3121182), wk = 0.0024390 k( 244) = ( 0.4821429 0.2783653 0.3121182), wk = 0.0024390 k( 245) = ( 0.4910714 0.2835202 0.3121182), wk = 0.0024390 k( 246) = ( 0.5000000 0.2886751 0.3121182), wk = 0.0024390 k( 247) = ( 0.5000000 0.2886751 0.3121182), wk = 0.0024390 k( 248) = ( 0.4949495 0.2974229 0.3121182), wk = 0.0024390 k( 249) = ( 0.4898990 0.3061706 0.3121182), wk = 0.0024390 k( 250) = ( 0.4848485 0.3149183 0.3121182), wk = 0.0024390 k( 251) = ( 0.4797980 0.3236661 0.3121182), wk = 0.0024390 k( 252) = ( 0.4747475 0.3324138 0.3121182), wk = 0.0024390 k( 253) = ( 0.4696970 0.3411615 0.3121182), wk = 0.0024390 k( 254) = ( 0.4646465 0.3499093 0.3121182), wk = 0.0024390 k( 255) = ( 0.4595960 0.3586570 0.3121182), wk = 0.0024390 k( 256) = ( 0.4545455 0.3674047 0.3121182), wk = 0.0024390 k( 257) = ( 0.4494950 0.3761524 0.3121182), wk = 0.0024390 k( 258) = ( 0.4444444 0.3849002 0.3121182), wk = 0.0024390 k( 259) = ( 0.4393939 0.3936479 0.3121182), wk = 0.0024390 k( 260) = ( 0.4343434 0.4023956 0.3121182), wk = 0.0024390 k( 261) = ( 0.4292929 0.4111434 0.3121182), wk = 0.0024390 k( 262) = ( 0.4242424 0.4198911 0.3121182), wk = 0.0024390 k( 263) = ( 0.4191919 0.4286388 0.3121182), wk = 0.0024390 k( 264) = ( 0.4141414 0.4373866 0.3121182), wk = 0.0024390 k( 265) = ( 0.4090909 0.4461343 0.3121182), wk = 0.0024390 k( 266) = ( 0.4040404 0.4548820 0.3121182), wk = 0.0024390 k( 267) = ( 0.3989899 0.4636298 0.3121182), wk = 0.0024390 k( 268) = ( 0.3939394 0.4723775 0.3121182), wk = 0.0024390 k( 269) = ( 0.3888889 0.4811252 0.3121182), wk = 0.0024390 k( 270) = ( 0.3838384 0.4898730 0.3121182), wk = 0.0024390 k( 271) = ( 0.3787879 0.4986207 0.3121182), wk = 0.0024390 k( 272) = ( 0.3737374 0.5073684 0.3121182), wk = 0.0024390 k( 273) = ( 0.3686869 0.5161161 0.3121182), wk = 0.0024390 k( 274) = ( 0.3636364 0.5248639 0.3121182), wk = 0.0024390 k( 275) = ( 0.3585859 0.5336116 0.3121182), wk = 0.0024390 k( 276) = ( 0.3535354 0.5423593 0.3121182), wk = 0.0024390 k( 277) = ( 0.3484849 0.5511071 0.3121182), wk = 0.0024390 k( 278) = ( 0.3434343 0.5598548 0.3121182), wk = 0.0024390 k( 279) = ( 0.3383838 0.5686025 0.3121182), wk = 0.0024390 k( 280) = ( 0.3333333 0.5773503 0.3121182), wk = 0.0024390 k( 281) = ( 0.3333333 0.5773503 0.3121182), wk = 0.0024390 k( 282) = ( 0.3282051 0.5684680 0.3121182), wk = 0.0024390 k( 283) = ( 0.3230769 0.5595856 0.3121182), wk = 0.0024390 k( 284) = ( 0.3179487 0.5507033 0.3121182), wk = 0.0024390 k( 285) = ( 0.3128205 0.5418210 0.3121182), wk = 0.0024390 k( 286) = ( 0.3076923 0.5329387 0.3121182), wk = 0.0024390 k( 287) = ( 0.3025641 0.5240564 0.3121182), wk = 0.0024390 k( 288) = ( 0.2974359 0.5151741 0.3121182), wk = 0.0024390 k( 289) = ( 0.2923077 0.5062918 0.3121182), wk = 0.0024390 k( 290) = ( 0.2871795 0.4974095 0.3121182), wk = 0.0024390 k( 291) = ( 0.2820513 0.4885271 0.3121182), wk = 0.0024390 k( 292) = ( 0.2769231 0.4796448 0.3121182), wk = 0.0024390 k( 293) = ( 0.2717949 0.4707625 0.3121182), wk = 0.0024390 k( 294) = ( 0.2666667 0.4618802 0.3121182), wk = 0.0024390 k( 295) = ( 0.2615385 0.4529979 0.3121182), wk = 0.0024390 k( 296) = ( 0.2564103 0.4441156 0.3121182), wk = 0.0024390 k( 297) = ( 0.2512820 0.4352333 0.3121182), wk = 0.0024390 k( 298) = ( 0.2461539 0.4263510 0.3121182), wk = 0.0024390 k( 299) = ( 0.2410256 0.4174687 0.3121182), wk = 0.0024390 k( 300) = ( 0.2358974 0.4085864 0.3121182), wk = 0.0024390 k( 301) = ( 0.2307692 0.3997040 0.3121182), wk = 0.0024390 k( 302) = ( 0.2256410 0.3908217 0.3121182), wk = 0.0024390 k( 303) = ( 0.2205128 0.3819394 0.3121182), wk = 0.0024390 k( 304) = ( 0.2153846 0.3730571 0.3121182), wk = 0.0024390 k( 305) = ( 0.2102564 0.3641748 0.3121182), wk = 0.0024390 k( 306) = ( 0.2051282 0.3552925 0.3121182), wk = 0.0024390 k( 307) = ( 0.2000000 0.3464102 0.3121182), wk = 0.0024390 k( 308) = ( 0.1948718 0.3375278 0.3121182), wk = 0.0024390 k( 309) = ( 0.1897436 0.3286455 0.3121182), wk = 0.0024390 k( 310) = ( 0.1846154 0.3197632 0.3121182), wk = 0.0024390 k( 311) = ( 0.1794872 0.3108809 0.3121182), wk = 0.0024390 k( 312) = ( 0.1743590 0.3019986 0.3121182), wk = 0.0024390 k( 313) = ( 0.1692308 0.2931163 0.3121182), wk = 0.0024390 k( 314) = ( 0.1641026 0.2842340 0.3121182), wk = 0.0024390 k( 315) = ( 0.1589744 0.2753517 0.3121182), wk = 0.0024390 k( 316) = ( 0.1538461 0.2664693 0.3121182), wk = 0.0024390 k( 317) = ( 0.1487179 0.2575870 0.3121182), wk = 0.0024390 k( 318) = ( 0.1435897 0.2487047 0.3121182), wk = 0.0024390 k( 319) = ( 0.1384615 0.2398224 0.3121182), wk = 0.0024390 k( 320) = ( 0.1333333 0.2309401 0.3121182), wk = 0.0024390 k( 321) = ( 0.1282051 0.2220578 0.3121182), wk = 0.0024390 k( 322) = ( 0.1230769 0.2131755 0.3121182), wk = 0.0024390 k( 323) = ( 0.1179487 0.2042932 0.3121182), wk = 0.0024390 k( 324) = ( 0.1128205 0.1954109 0.3121182), wk = 0.0024390 k( 325) = ( 0.1076923 0.1865286 0.3121182), wk = 0.0024390 k( 326) = ( 0.1025641 0.1776462 0.3121182), wk = 0.0024390 k( 327) = ( 0.0974359 0.1687639 0.3121182), wk = 0.0024390 k( 328) = ( 0.0923077 0.1598816 0.3121182), wk = 0.0024390 k( 329) = ( 0.0871795 0.1509993 0.3121182), wk = 0.0024390 k( 330) = ( 0.0820513 0.1421170 0.3121182), wk = 0.0024390 k( 331) = ( 0.0769231 0.1332347 0.3121182), wk = 0.0024390 k( 332) = ( 0.0717949 0.1243524 0.3121182), wk = 0.0024390 k( 333) = ( 0.0666667 0.1154701 0.3121182), wk = 0.0024390 k( 334) = ( 0.0615385 0.1065877 0.3121182), wk = 0.0024390 k( 335) = ( 0.0564103 0.0977054 0.3121182), wk = 0.0024390 k( 336) = ( 0.0512821 0.0888231 0.3121182), wk = 0.0024390 k( 337) = ( 0.0461539 0.0799408 0.3121182), wk = 0.0024390 k( 338) = ( 0.0410256 0.0710585 0.3121182), wk = 0.0024390 k( 339) = ( 0.0358974 0.0621762 0.3121182), wk = 0.0024390 k( 340) = ( 0.0307692 0.0532939 0.3121182), wk = 0.0024390 k( 341) = ( 0.0256410 0.0444116 0.3121182), wk = 0.0024390 k( 342) = ( 0.0205128 0.0355292 0.3121182), wk = 0.0024390 k( 343) = ( 0.0153846 0.0266469 0.3121182), wk = 0.0024390 k( 344) = ( 0.0102564 0.0177646 0.3121182), wk = 0.0024390 k( 345) = ( 0.0051282 0.0088823 0.3121182), wk = 0.0024390 k( 346) = ( 0.0000000 0.0000000 0.3121182), wk = 0.0024390 k( 347) = ( 0.5000000 0.2886751 0.3121182), wk = 0.0024390 k( 348) = ( 0.5000000 0.2886751 0.3020499), wk = 0.0024390 k( 349) = ( 0.5000000 0.2886751 0.2919815), wk = 0.0024390 k( 350) = ( 0.5000000 0.2886751 0.2819132), wk = 0.0024390 k( 351) = ( 0.5000000 0.2886751 0.2718449), wk = 0.0024390 k( 352) = ( 0.5000000 0.2886751 0.2617765), wk = 0.0024390 k( 353) = ( 0.5000000 0.2886751 0.2517082), wk = 0.0024390 k( 354) = ( 0.5000000 0.2886751 0.2416399), wk = 0.0024390 k( 355) = ( 0.5000000 0.2886751 0.2315716), wk = 0.0024390 k( 356) = ( 0.5000000 0.2886751 0.2215032), wk = 0.0024390 k( 357) = ( 0.5000000 0.2886751 0.2114349), wk = 0.0024390 k( 358) = ( 0.5000000 0.2886751 0.2013666), wk = 0.0024390 k( 359) = ( 0.5000000 0.2886751 0.1912982), wk = 0.0024390 k( 360) = ( 0.5000000 0.2886751 0.1812299), wk = 0.0024390 k( 361) = ( 0.5000000 0.2886751 0.1711616), wk = 0.0024390 k( 362) = ( 0.5000000 0.2886751 0.1610933), wk = 0.0024390 k( 363) = ( 0.5000000 0.2886751 0.1510249), wk = 0.0024390 k( 364) = ( 0.5000000 0.2886751 0.1409566), wk = 0.0024390 k( 365) = ( 0.5000000 0.2886751 0.1308883), wk = 0.0024390 k( 366) = ( 0.5000000 0.2886751 0.1208199), wk = 0.0024390 k( 367) = ( 0.5000000 0.2886751 0.1107516), wk = 0.0024390 k( 368) = ( 0.5000000 0.2886751 0.1006833), wk = 0.0024390 k( 369) = ( 0.5000000 0.2886751 0.0906150), wk = 0.0024390 k( 370) = ( 0.5000000 0.2886751 0.0805466), wk = 0.0024390 k( 371) = ( 0.5000000 0.2886751 0.0704783), wk = 0.0024390 k( 372) = ( 0.5000000 0.2886751 0.0604100), wk = 0.0024390 k( 373) = ( 0.5000000 0.2886751 0.0503416), wk = 0.0024390 k( 374) = ( 0.5000000 0.2886751 0.0402733), wk = 0.0024390 k( 375) = ( 0.5000000 0.2886751 0.0302050), wk = 0.0024390 k( 376) = ( 0.5000000 0.2886751 0.0201367), wk = 0.0024390 k( 377) = ( 0.5000000 0.2886751 0.0100683), wk = 0.0024390 k( 378) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024390 k( 379) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024390 k( 380) = ( 0.3333333 0.5773503 0.0100683), wk = 0.0024390 k( 381) = ( 0.3333333 0.5773503 0.0201367), wk = 0.0024390 k( 382) = ( 0.3333333 0.5773503 0.0302050), wk = 0.0024390 k( 383) = ( 0.3333333 0.5773503 0.0402733), wk = 0.0024390 k( 384) = ( 0.3333333 0.5773503 0.0503416), wk = 0.0024390 k( 385) = ( 0.3333333 0.5773503 0.0604100), wk = 0.0024390 k( 386) = ( 0.3333333 0.5773503 0.0704783), wk = 0.0024390 k( 387) = ( 0.3333333 0.5773503 0.0805466), wk = 0.0024390 k( 388) = ( 0.3333333 0.5773503 0.0906150), wk = 0.0024390 k( 389) = ( 0.3333333 0.5773503 0.1006833), wk = 0.0024390 k( 390) = ( 0.3333333 0.5773503 0.1107516), wk = 0.0024390 k( 391) = ( 0.3333333 0.5773503 0.1208199), wk = 0.0024390 k( 392) = ( 0.3333333 0.5773503 0.1308883), wk = 0.0024390 k( 393) = ( 0.3333333 0.5773503 0.1409566), wk = 0.0024390 k( 394) = ( 0.3333333 0.5773503 0.1510249), wk = 0.0024390 k( 395) = ( 0.3333333 0.5773503 0.1610933), wk = 0.0024390 k( 396) = ( 0.3333333 0.5773503 0.1711616), wk = 0.0024390 k( 397) = ( 0.3333333 0.5773503 0.1812299), wk = 0.0024390 k( 398) = ( 0.3333333 0.5773503 0.1912982), wk = 0.0024390 k( 399) = ( 0.3333333 0.5773503 0.2013666), wk = 0.0024390 k( 400) = ( 0.3333333 0.5773503 0.2114349), wk = 0.0024390 k( 401) = ( 0.3333333 0.5773503 0.2215032), wk = 0.0024390 k( 402) = ( 0.3333333 0.5773503 0.2315716), wk = 0.0024390 k( 403) = ( 0.3333333 0.5773503 0.2416399), wk = 0.0024390 k( 404) = ( 0.3333333 0.5773503 0.2517082), wk = 0.0024390 k( 405) = ( 0.3333333 0.5773503 0.2617765), wk = 0.0024390 k( 406) = ( 0.3333333 0.5773503 0.2718449), wk = 0.0024390 k( 407) = ( 0.3333333 0.5773503 0.2819132), wk = 0.0024390 k( 408) = ( 0.3333333 0.5773503 0.2919815), wk = 0.0024390 k( 409) = ( 0.3333333 0.5773503 0.3020499), wk = 0.0024390 k( 410) = ( 0.3333333 0.5773503 0.3121182), wk = 0.0024390 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 2) = ( 0.0089286 -0.0000000 0.0000000), wk = 0.0024390 k( 3) = ( 0.0178571 -0.0000000 0.0000000), wk = 0.0024390 k( 4) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0024390 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0024390 k( 6) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0024390 k( 7) = ( 0.0535714 -0.0000000 0.0000000), wk = 0.0024390 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0024390 k( 9) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0024390 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0024390 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0024390 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0024390 k( 13) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0024390 k( 14) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0024390 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0024390 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0024390 k( 17) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0024390 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0024390 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0024390 k( 20) = ( 0.1696429 0.0000000 0.0000000), wk = 0.0024390 k( 21) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0024390 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0024390 k( 23) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0024390 k( 24) = ( 0.2053571 0.0000000 0.0000000), wk = 0.0024390 k( 25) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0024390 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0024390 k( 27) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0024390 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0024390 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0024390 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0024390 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0024390 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0024390 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0024390 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0024390 k( 35) = ( 0.3035714 -0.0000000 0.0000000), wk = 0.0024390 k( 36) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0024390 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0024390 k( 38) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0024390 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0024390 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0024390 k( 41) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0024390 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0024390 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0024390 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0024390 k( 45) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0024390 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0024390 k( 47) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0024390 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0024390 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0024390 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0024390 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0024390 k( 52) = ( 0.4553571 0.0000000 -0.0000000), wk = 0.0024390 k( 53) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0024390 k( 54) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0024390 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0024390 k( 56) = ( 0.4910714 0.0000000 0.0000000), wk = 0.0024390 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024390 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024390 k( 59) = ( 0.4949495 0.0101010 0.0000000), wk = 0.0024390 k( 60) = ( 0.4898990 0.0202020 0.0000000), wk = 0.0024390 k( 61) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0024390 k( 62) = ( 0.4797980 0.0404040 -0.0000000), wk = 0.0024390 k( 63) = ( 0.4747475 0.0505050 -0.0000000), wk = 0.0024390 k( 64) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0024390 k( 65) = ( 0.4646465 0.0707071 0.0000000), wk = 0.0024390 k( 66) = ( 0.4595960 0.0808081 0.0000000), wk = 0.0024390 k( 67) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0024390 k( 68) = ( 0.4494950 0.1010101 0.0000000), wk = 0.0024390 k( 69) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0024390 k( 70) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0024390 k( 71) = ( 0.4343434 0.1313131 -0.0000000), wk = 0.0024390 k( 72) = ( 0.4292929 0.1414141 0.0000000), wk = 0.0024390 k( 73) = ( 0.4242424 0.1515151 0.0000000), wk = 0.0024390 k( 74) = ( 0.4191919 0.1616162 -0.0000000), wk = 0.0024390 k( 75) = ( 0.4141414 0.1717172 0.0000000), wk = 0.0024390 k( 76) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0024390 k( 77) = ( 0.4040404 0.1919192 0.0000000), wk = 0.0024390 k( 78) = ( 0.3989899 0.2020202 0.0000000), wk = 0.0024390 k( 79) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0024390 k( 80) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0024390 k( 81) = ( 0.3838384 0.2323232 0.0000000), wk = 0.0024390 k( 82) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0024390 k( 83) = ( 0.3737374 0.2525252 0.0000000), wk = 0.0024390 k( 84) = ( 0.3686869 0.2626263 0.0000000), wk = 0.0024390 k( 85) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0024390 k( 86) = ( 0.3585859 0.2828283 -0.0000000), wk = 0.0024390 k( 87) = ( 0.3535354 0.2929293 -0.0000000), wk = 0.0024390 k( 88) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0024390 k( 89) = ( 0.3434343 0.3131313 0.0000000), wk = 0.0024390 k( 90) = ( 0.3383838 0.3232323 0.0000000), wk = 0.0024390 k( 91) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024390 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024390 k( 93) = ( 0.3282051 0.3282051 0.0000000), wk = 0.0024390 k( 94) = ( 0.3230769 0.3230769 0.0000000), wk = 0.0024390 k( 95) = ( 0.3179487 0.3179487 0.0000000), wk = 0.0024390 k( 96) = ( 0.3128205 0.3128205 0.0000000), wk = 0.0024390 k( 97) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0024390 k( 98) = ( 0.3025641 0.3025641 0.0000000), wk = 0.0024390 k( 99) = ( 0.2974359 0.2974359 0.0000000), wk = 0.0024390 k( 100) = ( 0.2923077 0.2923077 0.0000000), wk = 0.0024390 k( 101) = ( 0.2871795 0.2871795 0.0000000), wk = 0.0024390 k( 102) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0024390 k( 103) = ( 0.2769231 0.2769231 0.0000000), wk = 0.0024390 k( 104) = ( 0.2717949 0.2717949 0.0000000), wk = 0.0024390 k( 105) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024390 k( 106) = ( 0.2615385 0.2615385 0.0000000), wk = 0.0024390 k( 107) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0024390 k( 108) = ( 0.2512820 0.2512820 0.0000000), wk = 0.0024390 k( 109) = ( 0.2461539 0.2461538 -0.0000000), wk = 0.0024390 k( 110) = ( 0.2410256 0.2410256 0.0000000), wk = 0.0024390 k( 111) = ( 0.2358974 0.2358974 0.0000000), wk = 0.0024390 k( 112) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0024390 k( 113) = ( 0.2256410 0.2256410 0.0000000), wk = 0.0024390 k( 114) = ( 0.2205128 0.2205128 0.0000000), wk = 0.0024390 k( 115) = ( 0.2153846 0.2153846 0.0000000), wk = 0.0024390 k( 116) = ( 0.2102564 0.2102564 0.0000000), wk = 0.0024390 k( 117) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0024390 k( 118) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0024390 k( 119) = ( 0.1948718 0.1948718 0.0000000), wk = 0.0024390 k( 120) = ( 0.1897436 0.1897436 0.0000000), wk = 0.0024390 k( 121) = ( 0.1846154 0.1846154 0.0000000), wk = 0.0024390 k( 122) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0024390 k( 123) = ( 0.1743590 0.1743590 0.0000000), wk = 0.0024390 k( 124) = ( 0.1692308 0.1692308 0.0000000), wk = 0.0024390 k( 125) = ( 0.1641026 0.1641026 0.0000000), wk = 0.0024390 k( 126) = ( 0.1589744 0.1589744 0.0000000), wk = 0.0024390 k( 127) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0024390 k( 128) = ( 0.1487179 0.1487179 0.0000000), wk = 0.0024390 k( 129) = ( 0.1435897 0.1435897 -0.0000000), wk = 0.0024390 k( 130) = ( 0.1384615 0.1384615 0.0000000), wk = 0.0024390 k( 131) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0024390 k( 132) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0024390 k( 133) = ( 0.1230769 0.1230769 0.0000000), wk = 0.0024390 k( 134) = ( 0.1179487 0.1179487 0.0000000), wk = 0.0024390 k( 135) = ( 0.1128205 0.1128205 0.0000000), wk = 0.0024390 k( 136) = ( 0.1076923 0.1076923 0.0000000), wk = 0.0024390 k( 137) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0024390 k( 138) = ( 0.0974359 0.0974359 0.0000000), wk = 0.0024390 k( 139) = ( 0.0923077 0.0923077 0.0000000), wk = 0.0024390 k( 140) = ( 0.0871795 0.0871795 0.0000000), wk = 0.0024390 k( 141) = ( 0.0820513 0.0820513 0.0000000), wk = 0.0024390 k( 142) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0024390 k( 143) = ( 0.0717949 0.0717949 -0.0000000), wk = 0.0024390 k( 144) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0024390 k( 145) = ( 0.0615385 0.0615385 0.0000000), wk = 0.0024390 k( 146) = ( 0.0564103 0.0564103 -0.0000000), wk = 0.0024390 k( 147) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0024390 k( 148) = ( 0.0461539 0.0461539 0.0000000), wk = 0.0024390 k( 149) = ( 0.0410256 0.0410256 0.0000000), wk = 0.0024390 k( 150) = ( 0.0358974 0.0358974 0.0000000), wk = 0.0024390 k( 151) = ( 0.0307692 0.0307692 0.0000000), wk = 0.0024390 k( 152) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0024390 k( 153) = ( 0.0205128 0.0205128 0.0000000), wk = 0.0024390 k( 154) = ( 0.0153846 0.0153846 -0.0000000), wk = 0.0024390 k( 155) = ( 0.0102564 0.0102564 0.0000000), wk = 0.0024390 k( 156) = ( 0.0051282 0.0051282 0.0000000), wk = 0.0024390 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 159) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0024390 k( 184) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0024390 k( 185) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0024390 k( 186) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0024390 k( 187) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0024390 k( 188) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0024390 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 191) = ( 0.0089286 -0.0000000 0.5000000), wk = 0.0024390 k( 192) = ( 0.0178571 -0.0000000 0.5000000), wk = 0.0024390 k( 193) = ( 0.0267857 0.0000000 0.5000000), wk = 0.0024390 k( 194) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0024390 k( 195) = ( 0.0446429 0.0000000 0.5000000), wk = 0.0024390 k( 196) = ( 0.0535714 -0.0000000 0.5000000), wk = 0.0024390 k( 197) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0024390 k( 198) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0024390 k( 199) = ( 0.0803571 0.0000000 0.5000000), wk = 0.0024390 k( 200) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0024390 k( 201) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0024390 k( 202) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0024390 k( 203) = ( 0.1160714 0.0000000 0.5000000), wk = 0.0024390 k( 204) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0024390 k( 205) = ( 0.1339286 0.0000000 0.5000000), wk = 0.0024390 k( 206) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0024390 k( 207) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0024390 k( 208) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0024390 k( 209) = ( 0.1696429 0.0000000 0.5000000), wk = 0.0024390 k( 210) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0024390 k( 211) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0024390 k( 212) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0024390 k( 213) = ( 0.2053571 0.0000000 0.5000000), wk = 0.0024390 k( 214) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0024390 k( 215) = ( 0.2232143 0.0000000 0.5000000), wk = 0.0024390 k( 216) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0024390 k( 217) = ( 0.2410714 0.0000000 0.5000000), wk = 0.0024390 k( 218) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0024390 k( 219) = ( 0.2589286 0.0000000 0.5000000), wk = 0.0024390 k( 220) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0024390 k( 221) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0024390 k( 222) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0024390 k( 223) = ( 0.2946429 0.0000000 0.5000000), wk = 0.0024390 k( 224) = ( 0.3035714 -0.0000000 0.5000000), wk = 0.0024390 k( 225) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0024390 k( 226) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0024390 k( 227) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0024390 k( 228) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0024390 k( 229) = ( 0.3482143 0.0000000 0.5000000), wk = 0.0024390 k( 230) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0024390 k( 231) = ( 0.3660714 0.0000000 0.5000000), wk = 0.0024390 k( 232) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0024390 k( 233) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0024390 k( 234) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0024390 k( 235) = ( 0.4017857 0.0000000 0.5000000), wk = 0.0024390 k( 236) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0024390 k( 237) = ( 0.4196429 0.0000000 0.5000000), wk = 0.0024390 k( 238) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0024390 k( 239) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0024390 k( 240) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0024390 k( 241) = ( 0.4553571 0.0000000 0.5000000), wk = 0.0024390 k( 242) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0024390 k( 243) = ( 0.4732143 0.0000000 0.5000000), wk = 0.0024390 k( 244) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0024390 k( 245) = ( 0.4910714 0.0000000 0.5000000), wk = 0.0024390 k( 246) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024390 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024390 k( 248) = ( 0.4949495 0.0101010 0.5000000), wk = 0.0024390 k( 249) = ( 0.4898990 0.0202020 0.5000000), wk = 0.0024390 k( 250) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0024390 k( 251) = ( 0.4797980 0.0404040 0.5000000), wk = 0.0024390 k( 252) = ( 0.4747475 0.0505050 0.5000000), wk = 0.0024390 k( 253) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0024390 k( 254) = ( 0.4646465 0.0707071 0.5000000), wk = 0.0024390 k( 255) = ( 0.4595960 0.0808081 0.5000000), wk = 0.0024390 k( 256) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0024390 k( 257) = ( 0.4494950 0.1010101 0.5000000), wk = 0.0024390 k( 258) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0024390 k( 259) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0024390 k( 260) = ( 0.4343434 0.1313131 0.5000000), wk = 0.0024390 k( 261) = ( 0.4292929 0.1414141 0.5000000), wk = 0.0024390 k( 262) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0024390 k( 263) = ( 0.4191919 0.1616162 0.5000000), wk = 0.0024390 k( 264) = ( 0.4141414 0.1717172 0.5000000), wk = 0.0024390 k( 265) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0024390 k( 266) = ( 0.4040404 0.1919192 0.5000000), wk = 0.0024390 k( 267) = ( 0.3989899 0.2020202 0.5000000), wk = 0.0024390 k( 268) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0024390 k( 269) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0024390 k( 270) = ( 0.3838384 0.2323232 0.5000000), wk = 0.0024390 k( 271) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0024390 k( 272) = ( 0.3737374 0.2525252 0.5000000), wk = 0.0024390 k( 273) = ( 0.3686869 0.2626263 0.5000000), wk = 0.0024390 k( 274) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0024390 k( 275) = ( 0.3585859 0.2828283 0.5000000), wk = 0.0024390 k( 276) = ( 0.3535354 0.2929293 0.5000000), wk = 0.0024390 k( 277) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0024390 k( 278) = ( 0.3434343 0.3131313 0.5000000), wk = 0.0024390 k( 279) = ( 0.3383838 0.3232323 0.5000000), wk = 0.0024390 k( 280) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024390 k( 281) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024390 k( 282) = ( 0.3282051 0.3282051 0.5000000), wk = 0.0024390 k( 283) = ( 0.3230769 0.3230769 0.5000000), wk = 0.0024390 k( 284) = ( 0.3179487 0.3179487 0.5000000), wk = 0.0024390 k( 285) = ( 0.3128205 0.3128205 0.5000000), wk = 0.0024390 k( 286) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0024390 k( 287) = ( 0.3025641 0.3025641 0.5000000), wk = 0.0024390 k( 288) = ( 0.2974359 0.2974359 0.5000000), wk = 0.0024390 k( 289) = ( 0.2923077 0.2923077 0.5000000), wk = 0.0024390 k( 290) = ( 0.2871795 0.2871795 0.5000000), wk = 0.0024390 k( 291) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0024390 k( 292) = ( 0.2769231 0.2769231 0.5000000), wk = 0.0024390 k( 293) = ( 0.2717949 0.2717949 0.5000000), wk = 0.0024390 k( 294) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0024390 k( 295) = ( 0.2615385 0.2615385 0.5000000), wk = 0.0024390 k( 296) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0024390 k( 297) = ( 0.2512820 0.2512820 0.5000000), wk = 0.0024390 k( 298) = ( 0.2461539 0.2461538 0.5000000), wk = 0.0024390 k( 299) = ( 0.2410256 0.2410256 0.5000000), wk = 0.0024390 k( 300) = ( 0.2358974 0.2358974 0.5000000), wk = 0.0024390 k( 301) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0024390 k( 302) = ( 0.2256410 0.2256410 0.5000000), wk = 0.0024390 k( 303) = ( 0.2205128 0.2205128 0.5000000), wk = 0.0024390 k( 304) = ( 0.2153846 0.2153846 0.5000000), wk = 0.0024390 k( 305) = ( 0.2102564 0.2102564 0.5000000), wk = 0.0024390 k( 306) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0024390 k( 307) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0024390 k( 308) = ( 0.1948718 0.1948718 0.5000000), wk = 0.0024390 k( 309) = ( 0.1897436 0.1897436 0.5000000), wk = 0.0024390 k( 310) = ( 0.1846154 0.1846154 0.5000000), wk = 0.0024390 k( 311) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0024390 k( 312) = ( 0.1743590 0.1743590 0.5000000), wk = 0.0024390 k( 313) = ( 0.1692308 0.1692308 0.5000000), wk = 0.0024390 k( 314) = ( 0.1641026 0.1641026 0.5000000), wk = 0.0024390 k( 315) = ( 0.1589744 0.1589744 0.5000000), wk = 0.0024390 k( 316) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0024390 k( 317) = ( 0.1487179 0.1487179 0.5000000), wk = 0.0024390 k( 318) = ( 0.1435897 0.1435897 0.5000000), wk = 0.0024390 k( 319) = ( 0.1384615 0.1384615 0.5000000), wk = 0.0024390 k( 320) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0024390 k( 321) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0024390 k( 322) = ( 0.1230769 0.1230769 0.5000000), wk = 0.0024390 k( 323) = ( 0.1179487 0.1179487 0.5000000), wk = 0.0024390 k( 324) = ( 0.1128205 0.1128205 0.5000000), wk = 0.0024390 k( 325) = ( 0.1076923 0.1076923 0.5000000), wk = 0.0024390 k( 326) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0024390 k( 327) = ( 0.0974359 0.0974359 0.5000000), wk = 0.0024390 k( 328) = ( 0.0923077 0.0923077 0.5000000), wk = 0.0024390 k( 329) = ( 0.0871795 0.0871795 0.5000000), wk = 0.0024390 k( 330) = ( 0.0820513 0.0820513 0.5000000), wk = 0.0024390 k( 331) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0024390 k( 332) = ( 0.0717949 0.0717949 0.5000000), wk = 0.0024390 k( 333) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0024390 k( 334) = ( 0.0615385 0.0615385 0.5000000), wk = 0.0024390 k( 335) = ( 0.0564103 0.0564103 0.5000000), wk = 0.0024390 k( 336) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0024390 k( 337) = ( 0.0461539 0.0461539 0.5000000), wk = 0.0024390 k( 338) = ( 0.0410256 0.0410256 0.5000000), wk = 0.0024390 k( 339) = ( 0.0358974 0.0358974 0.5000000), wk = 0.0024390 k( 340) = ( 0.0307692 0.0307692 0.5000000), wk = 0.0024390 k( 341) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0024390 k( 342) = ( 0.0205128 0.0205128 0.5000000), wk = 0.0024390 k( 343) = ( 0.0153846 0.0153846 0.5000000), wk = 0.0024390 k( 344) = ( 0.0102564 0.0102564 0.5000000), wk = 0.0024390 k( 345) = ( 0.0051282 0.0051282 0.5000000), wk = 0.0024390 k( 346) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 347) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024390 k( 348) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0024390 k( 349) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0024390 k( 350) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0024390 k( 351) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0024390 k( 352) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0024390 k( 353) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0024390 k( 354) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0024390 k( 355) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0024390 k( 356) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0024390 k( 357) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0024390 k( 358) = ( 0.5000000 0.0000000 0.3225806), wk = 0.0024390 k( 359) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0024390 k( 360) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0024390 k( 361) = ( 0.5000000 0.0000000 0.2741935), wk = 0.0024390 k( 362) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0024390 k( 363) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0024390 k( 364) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0024390 k( 365) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0024390 k( 366) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0024390 k( 367) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0024390 k( 368) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0024390 k( 369) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0024390 k( 370) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0024390 k( 371) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0024390 k( 372) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0024390 k( 373) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0024390 k( 374) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0024390 k( 375) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0024390 k( 376) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0024390 k( 377) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0024390 k( 378) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024390 k( 379) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024390 k( 380) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0024390 k( 381) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0024390 k( 382) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0024390 k( 383) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0024390 k( 384) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0024390 k( 385) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0024390 k( 386) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0024390 k( 387) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0024390 k( 388) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0024390 k( 389) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0024390 k( 390) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0024390 k( 391) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0024390 k( 392) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0024390 k( 393) = ( 0.3333333 0.3333333 0.2258065), wk = 0.0024390 k( 394) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0024390 k( 395) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0024390 k( 396) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0024390 k( 397) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0024390 k( 398) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0024390 k( 399) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0024390 k( 400) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0024390 k( 401) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0024390 k( 402) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0024390 k( 403) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0024390 k( 404) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0024390 k( 405) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0024390 k( 406) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0024390 k( 407) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0024390 k( 408) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0024390 k( 409) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0024390 k( 410) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024390 Dense grid: 31719 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 14053 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 88, 44) NL pseudopotentials 0.06 Mb ( 44, 96) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 664) G-vector shells 0.00 Mb ( 341) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 88, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnO.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 42.5 secs Computing kpt #: 3 total cpu time spent up to now is 43.8 secs Computing kpt #: 4 total cpu time spent up to now is 45.0 secs Computing kpt #: 5 total cpu time spent up to now is 46.1 secs Computing kpt #: 6 total cpu time spent up to now is 47.3 secs Computing kpt #: 7 total cpu time spent up to now is 48.3 secs Computing kpt #: 8 total cpu time spent up to now is 49.5 secs Computing kpt #: 9 total cpu time spent up to now is 50.6 secs Computing kpt #: 10 total cpu time spent up to now is 51.7 secs Computing kpt #: 11 total cpu time spent up to now is 52.7 secs Computing kpt #: 12 total cpu time spent up to now is 53.6 secs Computing kpt #: 13 total cpu time spent up to now is 54.6 secs Computing kpt #: 14 total cpu time spent up to now is 55.5 secs Computing kpt #: 15 total cpu time spent up to now is 56.7 secs Computing kpt #: 16 total cpu time spent up to now is 57.7 secs Computing kpt #: 17 total cpu time spent up to now is 58.6 secs Computing kpt #: 18 total cpu time spent up to now is 59.4 secs Computing kpt #: 19 total cpu time spent up to now is 60.3 secs Computing kpt #: 20 total cpu time spent up to now is 61.2 secs Computing kpt #: 21 total cpu time spent up to now is 62.1 secs Computing kpt #: 22 total cpu time spent up to now is 63.0 secs Computing kpt #: 23 total cpu time spent up to now is 64.0 secs Computing kpt #: 24 total cpu time spent up to now is 64.9 secs Computing kpt #: 25 total cpu time spent up to now is 65.8 secs Computing kpt #: 26 total cpu time spent up to now is 66.7 secs Computing kpt #: 27 total cpu time spent up to now is 67.4 secs Computing kpt #: 28 total cpu time spent up to now is 68.2 secs Computing kpt #: 29 total cpu time spent up to now is 69.0 secs Computing kpt #: 30 total cpu time spent up to now is 69.8 secs Computing kpt #: 31 total cpu time spent up to now is 70.5 secs Computing kpt #: 32 total cpu time spent up to now is 71.4 secs Computing kpt #: 33 total cpu time spent up to now is 72.2 secs Computing kpt #: 34 total cpu time spent up to now is 73.0 secs Computing kpt #: 35 total cpu time spent up to now is 73.7 secs Computing kpt #: 36 total cpu time spent up to now is 74.5 secs Computing kpt #: 37 total cpu time spent up to now is 75.3 secs Computing kpt #: 38 total cpu time spent up to now is 76.0 secs Computing kpt #: 39 total cpu time spent up to now is 76.8 secs Computing kpt #: 40 total cpu time spent up to now is 77.5 secs Computing kpt #: 41 total cpu time spent up to now is 78.2 secs Computing kpt #: 42 total cpu time spent up to now is 79.0 secs Computing kpt #: 43 total cpu time spent up to now is 79.7 secs Computing kpt #: 44 total cpu time spent up to now is 80.4 secs Computing kpt #: 45 total cpu time spent up to now is 81.3 secs Computing kpt #: 46 total cpu time spent up to now is 82.2 secs Computing kpt #: 47 total cpu time spent up to now is 83.2 secs Computing kpt #: 48 total cpu time spent up to now is 84.2 secs Computing kpt #: 49 total cpu time spent up to now is 85.1 secs Computing kpt #: 50 total cpu time spent up to now is 86.0 secs Computing kpt #: 51 total cpu time spent up to now is 86.8 secs Computing kpt #: 52 total cpu time spent up to now is 87.5 secs Computing kpt #: 53 total cpu time spent up to now is 88.2 secs Computing kpt #: 54 total cpu time spent up to now is 89.0 secs Computing kpt #: 55 total cpu time spent up to now is 89.7 secs Computing kpt #: 56 total cpu time spent up to now is 90.4 secs Computing kpt #: 57 total cpu time spent up to now is 91.1 secs Computing kpt #: 58 total cpu time spent up to now is 91.8 secs Computing kpt #: 59 total cpu time spent up to now is 92.5 secs Computing kpt #: 60 total cpu time spent up to now is 93.3 secs Computing kpt #: 61 total cpu time spent up to now is 94.5 secs Computing kpt #: 62 total cpu time spent up to now is 95.2 secs Computing kpt #: 63 total cpu time spent up to now is 96.1 secs Computing kpt #: 64 total cpu time spent up to now is 97.1 secs Computing kpt #: 65 total cpu time spent up to now is 98.2 secs Computing kpt #: 66 total cpu time spent up to now is 99.3 secs Computing kpt #: 67 total cpu time spent up to now is 100.4 secs Computing kpt #: 68 total cpu time spent up to now is 101.4 secs Computing kpt #: 69 total cpu time spent up to now is 102.2 secs Computing kpt #: 70 total cpu time spent up to now is 103.3 secs Computing kpt #: 71 total cpu time spent up to now is 104.2 secs Computing kpt #: 72 total cpu time spent up to now is 104.9 secs Computing kpt #: 73 total cpu time spent up to now is 105.9 secs Computing kpt #: 74 total cpu time spent up to now is 106.6 secs Computing kpt #: 75 total cpu time spent up to now is 107.5 secs Computing kpt #: 76 total cpu time spent up to now is 108.1 secs Computing kpt #: 77 total cpu time spent up to now is 108.9 secs Computing kpt #: 78 total cpu time spent up to now is 109.7 secs Computing kpt #: 79 total cpu time spent up to now is 110.6 secs Computing kpt #: 80 total cpu time spent up to now is 111.2 secs Computing kpt #: 81 total cpu time spent up to now is 112.0 secs Computing kpt #: 82 total cpu time spent up to now is 112.7 secs Computing kpt #: 83 total cpu time spent up to now is 113.8 secs Computing kpt #: 84 total cpu time spent up to now is 114.4 secs Computing kpt #: 85 total cpu time spent up to now is 115.3 secs Computing kpt #: 86 total cpu time spent up to now is 116.6 secs Computing kpt #: 87 total cpu time spent up to now is 117.7 secs Computing kpt #: 88 total cpu time spent up to now is 118.8 secs Computing kpt #: 89 total cpu time spent up to now is 119.7 secs Computing kpt #: 90 total cpu time spent up to now is 120.7 secs Computing kpt #: 91 total cpu time spent up to now is 121.4 secs Computing kpt #: 92 total cpu time spent up to now is 122.0 secs Computing kpt #: 93 total cpu time spent up to now is 122.7 secs Computing kpt #: 94 total cpu time spent up to now is 123.4 secs Computing kpt #: 95 total cpu time spent up to now is 124.0 secs Computing kpt #: 96 total cpu time spent up to now is 124.7 secs Computing kpt #: 97 total cpu time spent up to now is 125.4 secs Computing kpt #: 98 total cpu time spent up to now is 126.0 secs Computing kpt #: 99 total cpu time spent up to now is 126.7 secs Computing kpt #: 100 total cpu time spent up to now is 127.4 secs Computing kpt #: 101 total cpu time spent up to now is 128.3 secs Computing kpt #: 102 total cpu time spent up to now is 129.0 secs Computing kpt #: 103 total cpu time spent up to now is 129.7 secs Computing kpt #: 104 total cpu time spent up to now is 130.4 secs Computing kpt #: 105 total cpu time spent up to now is 131.1 secs Computing kpt #: 106 total cpu time spent up to now is 131.8 secs Computing kpt #: 107 total cpu time spent up to now is 132.4 secs Computing kpt #: 108 total cpu time spent up to now is 133.1 secs Computing kpt #: 109 total cpu time spent up to now is 134.0 secs Computing kpt #: 110 total cpu time spent up to now is 134.7 secs Computing kpt #: 111 total cpu time spent up to now is 135.3 secs Computing kpt #: 112 total cpu time spent up to now is 136.0 secs Computing kpt #: 113 total cpu time spent up to now is 136.7 secs Computing kpt #: 114 total cpu time spent up to now is 137.3 secs Computing kpt #: 115 total cpu time spent up to now is 138.0 secs Computing kpt #: 116 total cpu time spent up to now is 138.6 secs Computing kpt #: 117 total cpu time spent up to now is 139.2 secs Computing kpt #: 118 total cpu time spent up to now is 139.9 secs Computing kpt #: 119 total cpu time spent up to now is 140.5 secs Computing kpt #: 120 total cpu time spent up to now is 141.2 secs Computing kpt #: 121 total cpu time spent up to now is 141.8 secs Computing kpt #: 122 total cpu time spent up to now is 142.5 secs Computing kpt #: 123 total cpu time spent up to now is 143.1 secs Computing kpt #: 124 total cpu time spent up to now is 143.8 secs Computing kpt #: 125 total cpu time spent up to now is 144.7 secs Computing kpt #: 126 total cpu time spent up to now is 145.4 secs Computing kpt #: 127 total cpu time spent up to now is 146.3 secs Computing kpt #: 128 total cpu time spent up to now is 147.0 secs Computing kpt #: 129 total cpu time spent up to now is 147.9 secs Computing kpt #: 130 total cpu time spent up to now is 149.1 secs Computing kpt #: 131 total cpu time spent up to now is 150.0 secs Computing kpt #: 132 total cpu time spent up to now is 150.9 secs Computing kpt #: 133 total cpu time spent up to now is 151.8 secs Computing kpt #: 134 total cpu time spent up to now is 152.8 secs Computing kpt #: 135 total cpu time spent up to now is 153.8 secs Computing kpt #: 136 total cpu time spent up to now is 155.4 secs Computing kpt #: 137 total cpu time spent up to now is 156.5 secs Computing kpt #: 138 total cpu time spent up to now is 157.5 secs Computing kpt #: 139 total cpu time spent up to now is 158.6 secs Computing kpt #: 140 total cpu time spent up to now is 159.6 secs Computing kpt #: 141 total cpu time spent up to now is 160.6 secs Computing kpt #: 142 total cpu time spent up to now is 161.6 secs Computing kpt #: 143 total cpu time spent up to now is 162.6 secs Computing kpt #: 144 total cpu time spent up to now is 163.6 secs Computing kpt #: 145 total cpu time spent up to now is 164.6 secs Computing kpt #: 146 total cpu time spent up to now is 165.7 secs Computing kpt #: 147 total cpu time spent up to now is 166.7 secs Computing kpt #: 148 total cpu time spent up to now is 167.8 secs Computing kpt #: 149 total cpu time spent up to now is 168.9 secs Computing kpt #: 150 total cpu time spent up to now is 170.0 secs Computing kpt #: 151 total cpu time spent up to now is 171.1 secs Computing kpt #: 152 total cpu time spent up to now is 172.3 secs Computing kpt #: 153 total cpu time spent up to now is 173.5 secs Computing kpt #: 154 total cpu time spent up to now is 174.8 secs Computing kpt #: 155 total cpu time spent up to now is 176.1 secs Computing kpt #: 156 total cpu time spent up to now is 177.3 secs Computing kpt #: 157 total cpu time spent up to now is 178.3 secs Computing kpt #: 158 total cpu time spent up to now is 179.4 secs Computing kpt #: 159 total cpu time spent up to now is 180.5 secs Computing kpt #: 160 total cpu time spent up to now is 181.6 secs Computing kpt #: 161 total cpu time spent up to now is 182.7 secs Computing kpt #: 162 total cpu time spent up to now is 183.8 secs Computing kpt #: 163 total cpu time spent up to now is 184.9 secs Computing kpt #: 164 total cpu time spent up to now is 186.0 secs Computing kpt #: 165 total cpu time spent up to now is 187.1 secs Computing kpt #: 166 total cpu time spent up to now is 188.2 secs Computing kpt #: 167 total cpu time spent up to now is 189.4 secs Computing kpt #: 168 total cpu time spent up to now is 190.5 secs Computing kpt #: 169 total cpu time spent up to now is 192.0 secs Computing kpt #: 170 total cpu time spent up to now is 193.2 secs Computing kpt #: 171 total cpu time spent up to now is 194.6 secs Computing kpt #: 172 total cpu time spent up to now is 196.4 secs Computing kpt #: 173 total cpu time spent up to now is 197.7 secs Computing kpt #: 174 total cpu time spent up to now is 198.8 secs Computing kpt #: 175 total cpu time spent up to now is 199.9 secs Computing kpt #: 176 total cpu time spent up to now is 201.0 secs Computing kpt #: 177 total cpu time spent up to now is 202.0 secs Computing kpt #: 178 total cpu time spent up to now is 202.9 secs Computing kpt #: 179 total cpu time spent up to now is 203.8 secs Computing kpt #: 180 total cpu time spent up to now is 204.6 secs Computing kpt #: 181 total cpu time spent up to now is 205.4 secs Computing kpt #: 182 total cpu time spent up to now is 206.1 secs Computing kpt #: 183 total cpu time spent up to now is 206.9 secs Computing kpt #: 184 total cpu time spent up to now is 207.6 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Computing kpt #: 200 total cpu time spent up to now is 219.2 secs Computing kpt #: 201 total cpu time spent up to now is 219.9 secs Computing kpt #: 202 total cpu time spent up to now is 220.7 secs Computing kpt #: 203 total cpu time spent up to now is 221.4 secs Computing kpt #: 204 total cpu time spent up to now is 222.2 secs Computing kpt #: 205 total cpu time spent up to now is 222.9 secs Computing kpt #: 206 total cpu time spent up to now is 223.7 secs Computing kpt #: 207 total cpu time spent up to now is 224.4 secs Computing kpt #: 208 total cpu time spent up to now is 225.2 secs Computing kpt #: 209 total cpu time spent up to now is 226.0 secs Computing kpt #: 210 total cpu time spent up to now is 226.7 secs Computing kpt #: 211 total cpu time spent up to now is 227.5 secs Computing kpt #: 212 total cpu time spent up to now is 228.3 secs Computing kpt #: 213 total cpu time spent up to now is 229.1 secs Computing kpt #: 214 total cpu time spent up to now is 229.9 secs Computing kpt #: 215 total cpu time spent up to now is 230.7 secs Computing kpt #: 216 total cpu time spent up to now is 231.4 secs Computing kpt #: 217 total cpu time spent up to now is 232.2 secs Computing kpt #: 218 total cpu time spent up to now is 233.1 secs Computing kpt #: 219 total cpu time spent up to now is 233.9 secs Computing kpt #: 220 total cpu time spent up to now is 234.6 secs Computing kpt #: 221 total cpu time spent up to now is 235.3 secs Computing kpt #: 222 total cpu time spent up to now is 236.0 secs Computing kpt #: 223 total cpu time spent up to now is 236.7 secs Computing kpt #: 224 total cpu time spent up to now is 237.4 secs Computing kpt #: 225 total cpu time spent up to now is 238.4 secs Computing kpt #: 226 total cpu time spent up to now is 239.1 secs Computing kpt #: 227 total cpu time spent up to now is 239.8 secs Computing kpt #: 228 total cpu time spent up to now is 240.5 secs Computing kpt #: 229 total cpu time spent up to now is 241.3 secs Computing kpt #: 230 total cpu time spent up to now is 242.0 secs Computing kpt #: 231 total cpu time spent up to now is 242.8 secs Computing kpt #: 232 total cpu time spent up to now is 243.6 secs Computing kpt #: 233 total cpu time spent up to now is 244.3 secs Computing kpt #: 234 total cpu time spent up to now is 245.0 secs Computing kpt #: 235 total cpu time spent up to now is 245.7 secs Computing kpt #: 236 total cpu time spent up to now is 246.4 secs Computing kpt #: 237 total cpu time spent up to now is 247.1 secs Computing kpt #: 238 total cpu time spent up to now is 247.7 secs Computing kpt #: 239 total cpu time spent up to now is 248.4 secs Computing kpt #: 240 total cpu time spent up to now is 249.1 secs Computing kpt #: 241 total cpu time spent up to now is 249.8 secs Computing kpt #: 242 total cpu time spent up to now is 250.4 secs Computing kpt #: 243 total cpu time spent up to now is 251.1 secs Computing kpt #: 244 total cpu time spent up to now is 251.7 secs Computing kpt #: 245 total cpu time spent up to now is 252.3 secs Computing kpt #: 246 total cpu time spent up to now is 253.0 secs Computing kpt #: 247 total cpu time spent up to now is 253.7 secs Computing kpt #: 248 total cpu time spent up to now is 254.6 secs Computing kpt #: 249 total cpu time spent up to now is 255.5 secs Computing kpt #: 250 total cpu time spent up to now is 256.3 secs Computing kpt #: 251 total cpu time spent up to now is 257.0 secs Computing kpt #: 252 total cpu time spent up to now is 257.6 secs Computing kpt #: 253 total cpu time spent up to now is 258.2 secs Computing kpt #: 254 total cpu time spent up to now is 258.8 secs Computing kpt #: 255 total cpu time spent up to now is 259.5 secs Computing kpt #: 256 total cpu time spent up to now is 260.1 secs Computing kpt #: 257 total cpu time spent up to now is 260.7 secs Computing kpt #: 258 total cpu time spent up to now is 261.4 secs Computing kpt #: 259 total cpu time spent up to now is 262.1 secs Computing kpt #: 260 total cpu time spent up to now is 262.7 secs Computing kpt #: 261 total cpu time spent up to now is 263.4 secs Computing kpt #: 262 total cpu time spent up to now is 264.1 secs Computing kpt #: 263 total cpu time spent up to now is 264.8 secs Computing kpt #: 264 total cpu time spent up to now is 266.2 secs Computing kpt #: 265 total cpu time spent up to now is 267.3 secs Computing kpt #: 266 total cpu time spent up to now is 268.1 secs Computing kpt #: 267 total cpu time spent up to now is 269.0 secs Computing kpt #: 268 total cpu time spent up to now is 269.7 secs Computing kpt #: 269 total cpu time spent up to now is 270.4 secs Computing kpt #: 270 total cpu time spent up to now is 271.2 secs Computing kpt #: 271 total cpu time spent up to now is 271.9 secs Computing kpt #: 272 total cpu time spent up to now is 272.7 secs Computing kpt #: 273 total cpu time spent up to now is 273.5 secs Computing kpt #: 274 total cpu time spent up to now is 274.2 secs Computing kpt #: 275 total cpu time spent up to now is 275.0 secs Computing kpt #: 276 total cpu time spent up to now is 275.8 secs Computing kpt #: 277 total cpu time spent up to now is 276.6 secs Computing kpt #: 278 total cpu time spent up to now is 277.3 secs Computing kpt #: 279 total cpu time spent up to now is 278.1 secs Computing kpt #: 280 total cpu time spent up to now is 278.9 secs Computing kpt #: 281 total cpu time spent up to now is 280.0 secs Computing kpt #: 282 total cpu time spent up to now is 281.0 secs Computing kpt #: 283 total cpu time spent up to now is 281.8 secs Computing kpt #: 284 total cpu time spent up to now is 282.6 secs Computing kpt #: 285 total cpu time spent up to now is 283.6 secs Computing kpt #: 286 total cpu time spent up to now is 284.4 secs Computing kpt #: 287 total cpu time spent up to now is 285.2 secs Computing kpt #: 288 total cpu time spent up to now is 286.0 secs Computing kpt #: 289 total cpu time spent up to now is 286.7 secs Computing kpt #: 290 total cpu time spent up to now is 287.5 secs Computing kpt #: 291 total cpu time spent up to now is 288.7 secs Computing kpt #: 292 total cpu time spent up to now is 289.4 secs Computing kpt #: 293 total cpu time spent up to now is 290.2 secs Computing kpt #: 294 total cpu time spent up to now is 290.9 secs Computing kpt #: 295 total cpu time spent up to now is 291.6 secs Computing kpt #: 296 total cpu time spent up to now is 292.3 secs Computing kpt #: 297 total cpu time spent up to now is 293.1 secs Computing kpt #: 298 total cpu time spent up to now is 294.2 secs Computing kpt #: 299 total cpu time spent up to now is 295.2 secs Computing kpt #: 300 total cpu time spent up to now is 296.1 secs Computing kpt #: 301 total cpu time spent up to now is 297.1 secs Computing kpt #: 302 total cpu time spent up to now is 298.0 secs Computing kpt #: 303 total cpu time spent up to now is 298.8 secs Computing kpt #: 304 total cpu time spent up to now is 299.6 secs Computing kpt #: 305 total cpu time spent up to now is 300.4 secs Computing kpt #: 306 total cpu time spent up to now is 301.1 secs Computing kpt #: 307 total cpu time spent up to now is 301.9 secs Computing kpt #: 308 total cpu time spent up to now is 302.6 secs Computing kpt #: 309 total cpu time spent up to now is 303.3 secs Computing kpt #: 310 total cpu time spent up to now is 304.1 secs Computing kpt #: 311 total cpu time spent up to now is 304.7 secs Computing kpt #: 312 total cpu time spent up to now is 305.5 secs Computing kpt #: 313 total cpu time spent up to now is 306.3 secs Computing kpt #: 314 total cpu time spent up to now is 307.2 secs Computing kpt #: 315 total cpu time spent up to now is 308.1 secs Computing kpt #: 316 total cpu time spent up to now is 309.0 secs Computing kpt #: 317 total cpu time spent up to now is 309.8 secs Computing kpt #: 318 total cpu time spent up to now is 310.5 secs Computing kpt #: 319 total cpu time spent up to now is 311.3 secs Computing kpt #: 320 total cpu time spent up to now is 312.0 secs Computing kpt #: 321 total cpu time spent up to now is 312.8 secs Computing kpt #: 322 total cpu time spent up to now is 313.5 secs Computing kpt #: 323 total cpu time spent up to now is 314.3 secs Computing kpt #: 324 total cpu time spent up to now is 315.1 secs Computing kpt #: 325 total cpu time spent up to now is 315.9 secs Computing kpt #: 326 total cpu time spent up to now is 316.6 secs Computing kpt #: 327 total cpu time spent up to now is 317.4 secs Computing kpt #: 328 total cpu time spent up to now is 318.1 secs Computing kpt #: 329 total cpu time spent up to now is 318.9 secs Computing kpt #: 330 total cpu time spent up to now is 319.7 secs Computing kpt #: 331 total cpu time spent up to now is 320.6 secs Computing kpt #: 332 total cpu time spent up to now is 321.4 secs Computing kpt #: 333 total cpu time spent up to now is 322.1 secs Computing kpt #: 334 total cpu time spent up to now is 322.8 secs Computing kpt #: 335 total cpu time spent up to now is 323.5 secs Computing kpt #: 336 total cpu time spent up to now is 324.2 secs Computing kpt #: 337 total cpu time spent up to now is 324.9 secs Computing kpt #: 338 total cpu time spent up to now is 325.6 secs Computing kpt #: 339 total cpu time spent up to now is 326.3 secs Computing kpt #: 340 total cpu time spent up to now is 327.0 secs Computing kpt #: 341 total cpu time spent up to now is 327.7 secs Computing kpt #: 342 total cpu time spent up to now is 328.4 secs Computing kpt #: 343 total cpu time spent up to now is 329.0 secs Computing kpt #: 344 total cpu time spent up to now is 329.7 secs Computing kpt #: 345 total cpu time spent up to now is 330.5 secs Computing kpt #: 346 total cpu time spent up to now is 331.4 secs Computing kpt #: 347 total cpu time spent up to now is 332.4 secs Computing kpt #: 348 total cpu time spent up to now is 333.2 secs Computing kpt #: 349 total cpu time spent up to now is 333.8 secs Computing kpt #: 350 total cpu time spent up to now is 334.5 secs Computing kpt #: 351 total cpu time spent up to now is 335.2 secs Computing kpt #: 352 total cpu time spent up to now is 335.8 secs Computing kpt #: 353 total cpu time spent up to now is 336.5 secs Computing kpt #: 354 total cpu time spent up to now is 337.2 secs Computing kpt #: 355 total cpu time spent up to now is 337.9 secs Computing kpt #: 356 total cpu time spent up to now is 338.5 secs Computing kpt #: 357 total cpu time spent up to now is 339.2 secs Computing kpt #: 358 total cpu time spent up to now is 339.9 secs Computing kpt #: 359 total cpu time spent up to now is 340.6 secs Computing kpt #: 360 total cpu time spent up to now is 341.3 secs Computing kpt #: 361 total cpu time spent up to now is 342.0 secs Computing kpt #: 362 total cpu time spent up to now is 342.7 secs Computing kpt #: 363 total cpu time spent up to now is 343.6 secs Computing kpt #: 364 total cpu time spent up to now is 344.6 secs Computing kpt #: 365 total cpu time spent up to now is 345.3 secs Computing kpt #: 366 total cpu time spent up to now is 346.0 secs Computing kpt #: 367 total cpu time spent up to now is 346.7 secs Computing kpt #: 368 total cpu time spent up to now is 347.4 secs Computing kpt #: 369 total cpu time spent up to now is 348.1 secs Computing kpt #: 370 total cpu time spent up to now is 348.8 secs Computing kpt #: 371 total cpu time spent up to now is 349.5 secs Computing kpt #: 372 total cpu time spent up to now is 350.2 secs Computing kpt #: 373 total cpu time spent up to now is 350.9 secs Computing kpt #: 374 total cpu time spent up to now is 351.6 secs Computing kpt #: 375 total cpu time spent up to now is 352.3 secs Computing kpt #: 376 total cpu time spent up to now is 353.0 secs Computing kpt #: 377 total cpu time spent up to now is 353.7 secs Computing kpt #: 378 total cpu time spent up to now is 354.4 secs Computing kpt #: 379 total cpu time spent up to now is 355.1 secs Computing kpt #: 380 total cpu time spent up to now is 355.8 secs Computing kpt #: 381 total cpu time spent up to now is 357.0 secs Computing kpt #: 382 total cpu time spent up to now is 357.8 secs Computing kpt #: 383 total cpu time spent up to now is 358.6 secs Computing kpt #: 384 total cpu time spent up to now is 359.3 secs Computing kpt #: 385 total cpu time spent up to now is 360.0 secs Computing kpt #: 386 total cpu time spent up to now is 360.6 secs Computing kpt #: 387 total cpu time spent up to now is 361.3 secs Computing kpt #: 388 total cpu time spent up to now is 362.0 secs Computing kpt #: 389 total cpu time spent up to now is 362.7 secs Computing kpt #: 390 total cpu time spent up to now is 363.4 secs Computing kpt #: 391 total cpu time spent up to now is 364.1 secs Computing kpt #: 392 total cpu time spent up to now is 364.7 secs Computing kpt #: 393 total cpu time spent up to now is 365.4 secs Computing kpt #: 394 total cpu time spent up to now is 366.1 secs Computing kpt #: 395 total cpu time spent up to now is 366.8 secs Computing kpt #: 396 total cpu time spent up to now is 367.5 secs Computing kpt #: 397 total cpu time spent up to now is 368.2 secs Computing kpt #: 398 total cpu time spent up to now is 368.9 secs Computing kpt #: 399 total cpu time spent up to now is 369.6 secs Computing kpt #: 400 total cpu time spent up to now is 370.5 secs Computing kpt #: 401 total cpu time spent up to now is 371.3 secs Computing kpt #: 402 total cpu time spent up to now is 372.4 secs Computing kpt #: 403 total cpu time spent up to now is 373.2 secs Computing kpt #: 404 total cpu time spent up to now is 374.1 secs Computing kpt #: 405 total cpu time spent up to now is 375.0 secs Computing kpt #: 406 total cpu time spent up to now is 375.8 secs Computing kpt #: 407 total cpu time spent up to now is 376.7 secs Computing kpt #: 408 total cpu time spent up to now is 377.6 secs Computing kpt #: 409 total cpu time spent up to now is 378.4 secs Computing kpt #: 410 total cpu time spent up to now is 379.2 secs ethr = 2.78E-11, avg # of iterations = 25.9 total cpu time spent up to now is 379.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -10.8144 -10.8144 -10.0848 -10.0848 1.5077 1.5077 1.5750 1.5750 1.6668 1.6668 1.6699 1.6699 1.7088 1.7088 1.8526 1.8526 2.7856 2.7856 2.7988 2.7988 2.8669 2.8669 3.0783 3.0783 3.3480 3.3480 6.4672 6.4672 6.5258 6.5258 7.1870 7.1870 7.2681 7.2681 7.3020 7.3020 8.0706 8.0706 12.4795 12.4795 15.5204 15.5204 20.0512 20.0512 k = 0.0089 0.0052-0.0000 ( 1777 PWs) bands (ev): -10.8139 -10.8139 -10.0847 -10.0845 1.5077 1.5077 1.5720 1.5781 1.6663 1.6676 1.6706 1.6707 1.7070 1.7111 1.8525 1.8532 2.7839 2.7872 2.7986 2.7986 2.8661 2.8685 3.0784 3.0784 3.3476 3.3483 6.4651 6.4651 6.5234 6.5242 7.1848 7.1878 7.2623 7.2628 7.2972 7.2981 8.0811 8.0812 12.4825 12.4836 15.5203 15.5204 20.0452 20.0472 k = 0.0179 0.0103-0.0000 ( 1773 PWs) bands (ev): -10.8126 -10.8126 -10.0842 -10.0837 1.5074 1.5074 1.5691 1.5812 1.6663 1.6683 1.6723 1.6730 1.7053 1.7136 1.8526 1.8541 2.7821 2.7885 2.7976 2.7977 2.8661 2.8708 3.0789 3.0789 3.3470 3.3484 6.4586 6.4588 6.5171 6.5185 7.1806 7.1874 7.2402 7.2440 7.2898 7.2900 8.1111 8.1113 12.4926 12.4949 15.5201 15.5203 20.0270 20.0310 k = 0.0268 0.0155-0.0000 ( 1773 PWs) bands (ev): -10.8103 -10.8103 -10.0834 -10.0826 1.5069 1.5070 1.5662 1.5844 1.6667 1.6691 1.6750 1.6767 1.7040 1.7162 1.8529 1.8553 2.7801 2.7894 2.7961 2.7966 2.8667 2.8737 3.0797 3.0798 3.3463 3.3485 6.4470 6.4476 6.5076 6.5093 7.1713 7.1858 7.2011 7.2125 7.2828 7.2847 8.1575 8.1576 12.5097 12.5132 15.5199 15.5201 19.9916 19.9971 k = 0.0357 0.0206-0.0000 ( 1773 PWs) bands (ev): -10.8072 -10.8072 -10.0821 -10.0811 1.5061 1.5062 1.5636 1.5875 1.6675 1.6701 1.6788 1.6816 1.7032 1.7191 1.8536 1.8567 2.7780 2.7894 2.7940 2.7957 2.8680 2.8772 3.0808 3.0809 3.3454 3.3484 6.4297 6.4311 6.4958 6.4973 7.1425 7.1499 7.1831 7.1873 7.2765 7.2798 8.2163 8.2163 12.5338 12.5383 15.5195 15.5198 19.9353 19.9410 k = 0.0446 0.0258-0.0000 ( 1769 PWs) bands (ev): -10.8032 -10.8032 -10.0804 -10.0792 1.5048 1.5050 1.5613 1.5906 1.6686 1.6712 1.6838 1.6877 1.7031 1.7224 1.8545 1.8586 2.7759 2.7880 2.7915 2.7958 2.8699 2.8812 3.0823 3.0825 3.3444 3.3482 6.4062 6.4085 6.4822 6.4833 7.0906 7.0911 7.1761 7.1793 7.2699 7.2744 8.2841 8.2844 12.5645 12.5701 15.5191 15.5195 19.8591 19.8640 k = 0.0536 0.0309-0.0000 ( 1765 PWs) bands (ev): -10.7984 -10.7984 -10.0784 -10.0769 1.5029 1.5032 1.5595 1.5937 1.6702 1.6726 1.6897 1.6946 1.7042 1.7260 1.8558 1.8609 2.7737 2.7854 2.7887 2.7966 2.8723 2.8855 3.0841 3.0844 3.3431 3.3480 6.3761 6.3795 6.4673 6.4678 7.0274 7.0301 7.1677 7.1744 7.2624 7.2681 8.3588 8.3593 12.6018 12.6084 15.5186 15.5191 19.7665 19.7698 k = 0.0625 0.0361-0.0000 ( 1765 PWs) bands (ev): -10.7927 -10.7926 -10.0760 -10.0743 1.5003 1.5006 1.5583 1.5970 1.6720 1.6740 1.6965 1.7001 1.7085 1.7302 1.8574 1.8637 2.7712 2.7819 2.7856 2.7976 2.8751 2.8902 3.0862 3.0867 3.3417 3.3476 6.3398 6.3441 6.4508 6.4510 6.9606 6.9656 7.1590 7.1685 7.2540 7.2608 8.4386 8.4394 12.6453 12.6528 15.5180 15.5185 19.6610 19.6623 k = 0.0714 0.0412-0.0000 ( 1765 PWs) bands (ev): -10.7861 -10.7861 -10.0732 -10.0713 1.4969 1.4971 1.5577 1.6003 1.6742 1.6756 1.7031 1.7040 1.7174 1.7352 1.8594 1.8670 2.7687 2.7779 2.7822 2.7988 2.8782 2.8951 3.0887 3.0893 3.3401 3.3473 6.2976 6.3025 6.4324 6.4332 6.8921 6.8990 7.1497 7.1614 7.2446 7.2523 8.5224 8.5235 12.6946 12.7030 15.5172 15.5178 19.5445 19.5454 k = 0.0804 0.0464-0.0000 ( 1769 PWs) bands (ev): -10.7787 -10.7787 -10.0701 -10.0679 1.4925 1.4926 1.5579 1.6038 1.6767 1.6772 1.7058 1.7118 1.7286 1.7414 1.8618 1.8708 2.7659 2.7734 2.7788 2.7999 2.8816 2.9002 3.0915 3.0923 3.3382 3.3469 6.2498 6.2552 6.4125 6.4138 6.8227 6.8315 7.1394 7.1533 7.2341 7.2428 8.6094 8.6108 12.7495 12.7587 15.5163 15.5170 19.4190 19.4220 k = 0.0893 0.0515-0.0000 ( 1769 PWs) bands (ev): -10.7705 -10.7704 -10.0667 -10.0642 1.4871 1.4872 1.5587 1.6077 1.6788 1.6794 1.7090 1.7196 1.7415 1.7493 1.8647 1.8753 2.7630 2.7685 2.7755 2.8012 2.8854 2.9055 3.0948 3.0958 3.3362 3.3466 6.1969 6.2026 6.3910 6.3927 6.7530 6.7636 7.1281 7.1441 7.2225 7.2322 8.6990 8.7007 12.8096 12.8196 15.5153 15.5160 19.2876 19.2927 k = 0.0982 0.0567-0.0000 ( 1765 PWs) bands (ev): -10.7615 -10.7614 -10.0629 -10.0602 1.4807 1.4810 1.5603 1.6118 1.6805 1.6824 1.7129 1.7268 1.7556 1.7592 1.8681 1.8805 2.7599 2.7633 2.7724 2.8026 2.8893 2.9109 3.0987 3.0998 3.3340 3.3464 6.1392 6.1450 6.3678 6.3698 6.6834 6.6959 7.1158 7.1339 7.2100 7.2204 8.7908 8.7928 12.8746 12.8852 15.5142 15.5150 19.1519 19.1589 k = 0.1071 0.0619-0.0000 ( 1765 PWs) bands (ev): -10.7517 -10.7516 -10.0588 -10.0559 1.4735 1.4737 1.5623 1.6162 1.6821 1.6857 1.7175 1.7336 1.7710 1.7711 1.8720 1.8864 2.7564 2.7577 2.7694 2.8040 2.8934 2.9164 3.1029 3.1041 3.3316 3.3462 6.0772 6.0829 6.3430 6.3452 6.6142 6.6285 7.1025 7.1225 7.1964 7.2077 8.8845 8.8869 12.9439 12.9551 15.5128 15.5137 19.0131 19.0219 k = 0.1161 0.0670-0.0000 ( 1763 PWs) bands (ev): -10.7412 -10.7411 -10.0544 -10.0513 1.4654 1.4655 1.5647 1.6208 1.6836 1.6892 1.7228 1.7400 1.7850 1.7875 1.8766 1.8931 2.7517 2.7526 2.7668 2.8056 2.8977 2.9219 3.1077 3.1089 3.3291 3.3462 6.0111 6.0167 6.3166 6.3188 6.5456 6.5615 7.0880 7.1101 7.1818 7.1938 8.9799 8.9826 13.0173 13.0289 15.5113 15.5122 18.8724 18.8827 k = 0.1250 0.0722-0.0000 ( 1759 PWs) bands (ev): -10.7299 -10.7298 -10.0497 -10.0465 1.4566 1.4567 1.5675 1.6257 1.6851 1.6929 1.7290 1.7463 1.8005 1.8051 1.8818 1.9007 2.7454 2.7485 2.7646 2.8073 2.9021 2.9274 3.1131 3.1141 3.3263 3.3464 5.9416 5.9468 6.2886 6.2906 6.4778 6.4951 7.0726 7.0967 7.1663 7.1790 9.0768 9.0798 13.0942 13.1063 15.5096 15.5106 18.7307 18.7423 k = 0.1339 0.0773-0.0000 ( 1761 PWs) bands (ev): -10.7179 -10.7178 -10.0448 -10.0414 1.4469 1.4474 1.5705 1.6306 1.6867 1.6967 1.7358 1.7527 1.8175 1.8236 1.8878 1.9091 2.7388 2.7441 2.7627 2.8091 2.9064 2.9328 3.1190 3.1196 3.3232 3.3469 5.8689 5.8738 6.2591 6.2604 6.4109 6.4293 7.0560 7.0821 7.1499 7.1632 9.1751 9.1784 13.1743 13.1867 15.5076 15.5086 18.5885 18.6013 k = 0.1429 0.0825-0.0000 ( 1755 PWs) bands (ev): -10.7052 -10.7051 -10.0397 -10.0360 1.4368 1.4377 1.5736 1.6354 1.6884 1.7008 1.7433 1.7593 1.8358 1.8429 1.8945 1.9187 2.7319 2.7397 2.7611 2.8111 2.9107 2.9382 3.1255 3.1256 3.3200 3.3477 5.7936 5.7980 6.2280 6.2280 6.3453 6.3640 7.0384 7.0664 7.1325 7.1464 9.2745 9.2782 13.2571 13.2697 15.5054 15.5064 18.4467 18.4605 k = 0.1518 0.0876-0.0000 ( 1755 PWs) bands (ev): -10.6919 -10.6917 -10.0344 -10.0305 1.4260 1.4276 1.5768 1.6399 1.6905 1.7050 1.7514 1.7661 1.8553 1.8628 1.9019 1.9293 2.7245 2.7350 2.7599 2.8133 2.9150 2.9435 3.1316 3.1330 3.3166 3.3490 5.7160 5.7199 6.1925 6.1953 6.2818 6.2993 7.0197 7.0496 7.1143 7.1288 9.3752 9.3792 13.3421 13.3550 15.5029 15.5039 18.3056 18.3202 k = 0.1607 0.0928-0.0000 ( 1755 PWs) bands (ev): -10.6780 -10.6778 -10.0288 -10.0248 1.4149 1.4172 1.5798 1.6439 1.6931 1.7093 1.7601 1.7733 1.8756 1.8831 1.9103 1.9413 2.7168 2.7303 2.7590 2.8157 2.9192 2.9487 3.1379 3.1410 3.3130 3.3509 5.6364 5.6399 6.1523 6.1610 6.2220 6.2353 6.9999 7.0318 7.0953 7.1103 9.4768 9.4812 13.4291 13.4420 15.5001 15.5011 18.1657 18.1810 k = 0.1696 0.0979-0.0000 ( 1757 PWs) bands (ev): -10.6635 -10.6632 -10.0231 -10.0189 1.4035 1.4066 1.5828 1.6470 1.6964 1.7137 1.7694 1.7808 1.8966 1.9033 1.9199 1.9548 2.7088 2.7256 2.7584 2.8183 2.9233 2.9538 3.1443 3.1499 3.3092 3.3535 5.5553 5.5583 6.1048 6.1244 6.1688 6.1727 6.9790 7.0128 7.0755 7.0909 9.5794 9.5842 13.5174 13.5303 15.4969 15.4979 18.0274 18.0432 k = 0.1786 0.1031-0.0000 ( 1757 PWs) bands (ev): -10.6484 -10.6481 -10.0173 -10.0130 1.3920 1.3959 1.5856 1.6493 1.7006 1.7184 1.7792 1.7887 1.9167 1.9230 1.9320 1.9702 2.7005 2.7210 2.7581 2.8212 2.9272 2.9588 3.1507 3.1595 3.3053 3.3569 5.4731 5.4755 6.0492 6.0828 6.1143 6.1228 6.9571 6.9927 7.0549 7.0709 9.6829 9.6880 13.6066 13.6194 15.4933 15.4943 17.8910 17.9073 k = 0.1875 0.1083-0.0000 ( 1761 PWs) bands (ev): -10.6328 -10.6324 -10.0114 -10.0069 1.3804 1.3852 1.5881 1.6505 1.7057 1.7231 1.7895 1.7970 1.9327 1.9418 1.9498 1.9879 2.6918 2.7165 2.7583 2.8243 2.9309 2.9638 3.1568 3.1698 3.3011 3.3611 5.3901 5.3918 5.9886 6.0304 6.0659 6.0810 6.9341 6.9716 7.0337 7.0501 9.7872 9.7927 13.6963 13.7089 15.4892 15.4902 17.7568 17.7733 k = 0.1964 0.1134-0.0000 ( 1767 PWs) bands (ev): -10.6167 -10.6163 -10.0054 -10.0007 1.3688 1.3745 1.5904 1.6508 1.7116 1.7282 1.8003 1.8057 1.9454 1.9595 1.9725 2.0079 2.6827 2.7121 2.7588 2.8277 2.9344 2.9686 3.1626 3.1809 3.2969 3.3665 5.3064 5.3074 5.9256 5.9702 6.0246 6.0410 6.9102 6.9493 7.0119 7.0286 9.8922 9.8981 13.7860 13.7983 15.4845 15.4855 17.6249 17.6417 k = 0.2054 0.1186-0.0000 ( 1764 PWs) bands (ev): -10.6001 -10.5997 -9.9993 -9.9945 1.3575 1.3641 1.5923 1.6504 1.7181 1.7333 1.8116 1.8148 1.9575 1.9763 1.9973 2.0298 2.6734 2.7081 2.7597 2.8314 2.9377 2.9735 3.1680 3.1929 3.2927 3.3732 5.2226 5.2228 5.8617 5.9079 5.9849 6.0013 6.8852 6.9261 6.9895 7.0066 9.9979 10.0041 13.8752 13.8872 15.4794 15.4802 17.4958 17.5127 k = 0.2143 0.1237-0.0000 ( 1760 PWs) bands (ev): -10.5832 -10.5827 -9.9932 -9.9883 1.3464 1.3540 1.5940 1.6494 1.7252 1.7388 1.8233 1.8244 1.9699 1.9926 2.0232 2.0530 2.6638 2.7045 2.7611 2.8355 2.9407 2.9783 3.1730 3.2056 3.2883 3.3812 5.1381 5.1389 5.7973 5.8451 5.9452 5.9616 6.8592 6.9017 6.9667 6.9841 10.1042 10.1108 13.9635 13.9750 15.4735 15.4742 17.3695 17.3864 k = 0.2232 0.1289-0.0000 ( 1758 PWs) bands (ev): -10.5659 -10.5653 -9.9871 -9.9821 1.3357 1.3442 1.5952 1.6478 1.7326 1.7444 1.8343 1.8354 1.9828 2.0087 2.0498 2.0772 2.6539 2.7015 2.7628 2.8398 2.9434 2.9831 3.1773 3.2191 3.2838 3.3904 5.0536 5.0554 5.7328 5.7822 5.9052 5.9217 6.8322 6.8763 6.9433 6.9611 10.2110 10.2180 14.0503 14.0613 15.4668 15.4674 17.2461 17.2631 k = 0.2321 0.1340-0.0000 ( 1758 PWs) bands (ev): -10.5482 -10.5476 -9.9810 -9.9759 1.3254 1.3348 1.5961 1.6459 1.7401 1.7502 1.8445 1.8479 1.9961 2.0247 2.0771 2.1017 2.6437 2.6991 2.7650 2.8443 2.9459 2.9880 3.1810 3.2330 3.2795 3.4010 4.9694 4.9724 5.6685 5.7195 5.8649 5.8814 6.8043 6.8499 6.9196 6.9377 10.3182 10.3256 14.1351 14.1456 15.4592 15.4597 17.1260 17.1428 k = 0.2411 0.1392-0.0000 ( 1752 PWs) bands (ev): -10.5303 -10.5296 -9.9750 -9.9698 1.3157 1.3259 1.5967 1.6437 1.7477 1.7561 1.8551 1.8608 2.0098 2.0407 2.1050 2.1263 2.6335 2.6977 2.7677 2.8492 2.9482 2.9929 3.1841 3.2472 3.2755 3.4128 4.8860 4.8903 5.6043 5.6571 5.8242 5.8410 6.7754 6.8225 6.8957 6.9140 10.4258 10.4336 14.2176 14.2274 15.4506 15.4509 17.0092 17.0259 k = 0.2500 0.1443-0.0000 ( 1752 PWs) bands (ev): -10.5121 -10.5114 -9.9691 -9.9638 1.3066 1.3176 1.5969 1.6412 1.7553 1.7621 1.8660 1.8739 2.0240 2.0569 2.1332 2.1506 2.6228 2.6970 2.7708 2.8543 2.9502 2.9979 3.1866 3.2598 3.2735 3.4257 4.8033 4.8094 5.5403 5.5950 5.7834 5.8003 6.7457 6.7941 6.8714 6.8900 10.5337 10.5419 14.2971 14.3062 15.4408 15.4408 16.8961 16.9125 k = 0.2589 0.1495-0.0000 ( 1748 PWs) bands (ev): -10.4938 -10.4930 -9.9633 -9.9580 1.2980 1.3098 1.5968 1.6385 1.7628 1.7681 1.8773 1.8874 2.0385 2.0732 2.1618 2.1743 2.6121 2.6976 2.7744 2.8598 2.9519 3.0031 3.1887 3.2626 3.2817 3.4397 4.7218 4.7298 5.4767 5.5332 5.7424 5.7595 6.7151 6.7648 6.8471 6.8659 10.6419 10.6504 14.3732 14.3815 15.4293 15.4295 16.7868 16.8029 k = 0.2679 0.1546-0.0000 ( 1748 PWs) bands (ev): -10.4753 -10.4744 -9.9577 -9.9523 1.2902 1.3028 1.5964 1.6357 1.7701 1.7741 1.8889 1.9012 2.0533 2.0896 2.1905 2.1970 2.6011 2.6996 2.7784 2.8653 2.9534 3.0084 3.1904 3.2595 3.2961 3.4544 4.6417 4.6519 5.4135 5.4718 5.7014 5.7186 6.6837 6.7346 6.8227 6.8416 10.7501 10.7591 14.4453 14.4529 15.4161 15.4165 16.6816 16.6973 k = 0.2768 0.1598-0.0000 ( 1740 PWs) bands (ev): -10.4567 -10.4557 -9.9522 -9.9467 1.2832 1.2965 1.5957 1.6327 1.7773 1.7802 1.9008 1.9153 2.0684 2.1061 2.2185 2.2193 2.5901 2.7031 2.7829 2.8711 2.9549 3.0141 3.1920 3.2558 3.3114 3.4697 4.5632 4.5761 5.3508 5.4111 5.6605 5.6778 6.6517 6.7036 6.7983 6.8173 10.8585 10.8678 14.5132 14.5199 15.4009 15.4014 16.5808 16.5960 k = 0.2857 0.1650-0.0000 ( 1744 PWs) bands (ev): -10.4380 -10.4370 -9.9469 -9.9414 1.2770 1.2910 1.5947 1.6296 1.7842 1.7861 1.9130 1.9297 2.0836 2.1226 2.2384 2.2478 2.5791 2.7084 2.7879 2.8770 2.9559 3.0198 3.1934 3.2521 3.3264 3.4851 4.4867 4.5026 5.2887 5.3509 5.6197 5.6371 6.6189 6.6718 6.7740 6.7931 10.9668 10.9765 14.5763 14.5822 15.3831 15.3839 16.4848 16.4995 k = 0.2946 0.1701-0.0000 ( 1748 PWs) bands (ev): -10.4194 -10.4183 -9.9419 -9.9364 1.2716 1.2863 1.5935 1.6264 1.7907 1.7918 1.9254 1.9443 2.0990 2.1390 2.2563 2.2760 2.5683 2.7156 2.7932 2.8828 2.9567 3.0258 3.1949 3.2487 3.3409 3.5003 4.4125 4.4319 5.2272 5.2914 5.5792 5.5967 6.5855 6.6393 6.7499 6.7690 11.0750 11.0850 14.6344 14.6394 15.3625 15.3635 16.3940 16.4081 k = 0.3036 0.1753-0.0000 ( 1746 PWs) bands (ev): -10.4008 -10.3997 -9.9371 -9.9316 1.2672 1.2824 1.5920 1.6231 1.7969 1.7974 1.9382 1.9591 2.1144 2.1554 2.2722 2.3036 2.5580 2.7249 2.7990 2.8887 2.9575 3.0321 3.1967 3.2459 3.3544 3.5150 4.3410 4.3644 5.1666 5.2327 5.5391 5.5567 6.5516 6.6062 6.7260 6.7450 11.1831 11.1934 14.6870 14.6913 15.3385 15.3397 16.3090 16.3223 k = 0.3125 0.1804-0.0000 ( 1748 PWs) bands (ev): -10.3823 -10.3811 -9.9326 -9.9271 1.2637 1.2795 1.5903 1.6197 1.8027 1.8028 1.9512 1.9740 2.1298 2.1715 2.2858 2.3300 2.5483 2.7361 2.8052 2.8945 2.9581 3.0387 3.1990 3.2436 3.3665 3.5286 4.2726 4.3006 5.1069 5.1749 5.4996 5.5171 6.5174 6.5725 6.7025 6.7214 11.2908 11.3015 14.7341 14.7376 15.3106 15.3118 16.2304 16.2428 k = 0.3214 0.1856-0.0000 ( 1748 PWs) bands (ev): -10.3640 -10.3627 -9.9284 -9.9229 1.2612 1.2775 1.5884 1.6162 1.8080 1.8081 1.9645 1.9892 2.1452 2.1874 2.2971 2.3547 2.5399 2.7492 2.8119 2.9002 2.9586 3.0453 3.2021 3.2420 3.3766 3.5404 4.2080 4.2411 5.0482 5.1182 5.4607 5.4781 6.4828 6.5384 6.6794 6.6981 11.3982 11.4092 14.7755 14.7784 15.2781 15.2792 16.1586 16.1701 k = 0.3304 0.1907-0.0000 ( 1744 PWs) bands (ev): -10.3459 -10.3445 -9.9245 -9.9191 1.2596 1.2764 1.5863 1.6127 1.8129 1.8132 1.9780 2.0044 2.1605 2.2030 2.3063 2.3768 2.5337 2.7638 2.8191 2.9057 2.9589 3.0520 3.2061 3.2415 3.3843 3.5497 4.1480 4.1864 4.9906 5.0626 5.4226 5.4399 6.4480 6.5039 6.6569 6.6753 11.5052 11.5164 14.8111 14.8135 15.2405 15.2415 16.0941 16.1046 k = 0.3393 0.1959-0.0000 ( 1740 PWs) bands (ev): -10.3280 -10.3266 -9.9210 -9.9156 1.2591 1.2762 1.5840 1.6090 1.8175 1.8178 1.9917 2.0197 2.1756 2.2180 2.3133 2.3947 2.5312 2.7794 2.8266 2.9111 2.9592 3.0584 3.2115 3.2420 3.3891 3.5556 4.0933 4.1371 4.9345 5.0083 5.3853 5.4024 6.4132 6.4692 6.6350 6.6530 11.6115 11.6230 14.8409 14.8432 15.1978 15.1984 16.0371 16.0466 k = 0.3482 0.2010-0.0000 ( 1742 PWs) bands (ev): -10.3105 -10.3091 -9.9178 -9.9125 1.2595 1.2770 1.5815 1.6054 1.8217 1.8220 2.0055 2.0349 2.1901 2.2323 2.3186 2.4066 2.5340 2.7956 2.8346 2.9161 2.9594 3.0644 3.2183 3.2438 3.3904 3.5569 4.0449 4.0936 4.8799 4.9555 5.3490 5.3659 6.3785 6.4344 6.6137 6.6313 11.7171 11.7288 14.8651 14.8674 15.1498 15.1499 15.9878 15.9961 k = 0.3571 0.2062-0.0000 ( 1746 PWs) bands (ev): -10.2934 -10.2919 -9.9150 -9.9097 1.2608 1.2786 1.5788 1.6015 1.8256 1.8258 2.0196 2.0502 2.2044 2.2458 2.3222 2.4118 2.5428 2.8115 2.8432 2.9207 2.9595 3.0697 3.2269 3.2470 3.3880 3.5526 4.0037 4.0562 4.8271 4.9045 5.3139 5.3304 6.3440 6.3996 6.5932 6.6103 11.8220 11.8339 14.8832 14.8862 15.0963 15.0973 15.9457 15.9529 k = 0.3661 0.2114-0.0000 ( 1736 PWs) bands (ev): -10.2767 -10.2752 -9.9125 -9.9074 1.2632 1.2812 1.5759 1.5975 1.8291 1.8292 2.0338 2.0654 2.2182 2.2586 2.3247 2.4110 2.5572 2.8264 2.8526 2.9252 2.9598 3.0743 3.2375 3.2518 3.3821 3.5423 3.9702 4.0249 4.7766 4.8554 5.2802 5.2962 6.3100 6.3650 6.5735 6.5900 11.9258 11.9379 14.8945 14.8992 15.0392 15.0422 15.9105 15.9166 k = 0.3750 0.2165-0.0000 ( 1736 PWs) bands (ev): -10.2606 -10.2589 -9.9104 -9.9054 1.2664 1.2845 1.5727 1.5934 1.8321 1.8323 2.0481 2.0804 2.2314 2.2699 2.3264 2.4061 2.5750 2.8395 2.8628 2.9290 2.9600 3.0779 3.2499 3.2579 3.3734 3.5261 3.9442 3.9992 4.7285 4.8086 5.2477 5.2632 6.2767 6.3308 6.5548 6.5706 12.0285 12.0407 14.8939 14.9029 14.9831 14.9904 15.8811 15.8863 k = 0.3839 0.2217-0.0000 ( 1740 PWs) bands (ev): -10.2450 -10.2433 -9.9087 -9.9038 1.2704 1.2886 1.5694 1.5892 1.8346 1.8351 2.0624 2.0951 2.2437 2.2796 2.3277 2.3988 2.5945 2.8504 2.8733 2.9324 2.9604 3.0803 3.2639 3.2643 3.3635 3.5049 3.9246 3.9784 4.6832 4.7642 5.2168 5.2317 6.2443 6.2972 6.5370 6.5520 12.1299 12.1422 14.8663 14.8785 14.9481 14.9585 15.8569 15.8613 k = 0.3929 0.2268-0.0000 ( 1738 PWs) bands (ev): -10.2300 -10.2284 -9.9073 -9.9027 1.2753 1.2933 1.5658 1.5848 1.8367 1.8375 2.0767 2.1095 2.2554 2.2874 2.3294 2.3904 2.6148 2.8596 2.8832 2.9355 2.9612 3.0818 3.2692 3.2787 3.3558 3.4811 3.9098 3.9612 4.6414 4.7227 5.1876 5.2017 6.2129 6.2643 6.5203 6.5345 12.2298 12.2420 14.8103 14.8199 14.9416 14.9492 15.8371 15.8407 k = 0.4018 0.2320-0.0000 ( 1736 PWs) bands (ev): -10.2158 -10.2141 -9.9063 -9.9018 1.2808 1.2986 1.5621 1.5802 1.8385 1.8395 2.0910 2.1234 2.2660 2.2927 2.3319 2.3815 2.6352 2.8675 2.8913 2.9380 2.9625 3.0822 3.2688 3.2929 3.3547 3.4575 3.8978 3.9464 4.6034 4.6842 5.1602 5.1735 6.1830 6.2323 6.5047 6.5180 12.3278 12.3400 14.7429 14.7510 14.9411 14.9467 15.8208 15.8238 k = 0.4107 0.2371-0.0000 ( 1740 PWs) bands (ev): -10.2024 -10.2007 -9.9056 -9.9013 1.2869 1.3044 1.5583 1.5754 1.8399 1.8411 2.1051 2.1367 2.2754 2.2956 2.3353 2.3729 2.6551 2.8740 2.8973 2.9401 2.9644 3.0815 3.2614 3.3032 3.3631 3.4387 3.8869 3.9324 4.5697 4.6492 5.1347 5.1471 6.1546 6.2016 6.4902 6.5025 12.4237 12.4357 14.6717 14.6790 14.9406 14.9451 15.8075 15.8100 k = 0.4196 0.2423-0.0000 ( 1738 PWs) bands (ev): -10.1898 -10.1882 -9.9051 -9.9012 1.2936 1.3105 1.5543 1.5706 1.8411 1.8424 2.1190 2.1494 2.2834 2.2964 2.3394 2.3650 2.6744 2.8792 2.9012 2.9418 2.9673 3.0799 3.2491 3.3048 3.3798 3.4309 3.8755 3.9179 4.5407 4.6177 5.1112 5.1227 6.1282 6.1723 6.4770 6.4883 12.5170 12.5288 14.5990 14.6060 14.9393 14.9430 15.7966 15.7986 k = 0.4286 0.2474-0.0000 ( 1734 PWs) bands (ev): -10.1781 -10.1766 -9.9049 -9.9013 1.3006 1.3168 1.5504 1.5656 1.8420 1.8435 2.1326 2.1613 2.2896 2.2959 2.3436 2.3583 2.6932 2.8821 2.9038 2.9429 2.9709 3.0772 3.2351 3.2953 3.4019 3.4373 3.8626 3.9018 4.5169 4.5899 5.0899 5.1004 6.1039 6.1448 6.4652 6.4754 12.6071 12.6185 14.5264 14.5332 14.9374 14.9405 15.7877 15.7893 k = 0.4375 0.2526-0.0000 ( 1732 PWs) bands (ev): -10.1675 -10.1661 -9.9050 -9.9017 1.3077 1.3229 1.5465 1.5606 1.8427 1.8442 2.1456 2.1721 2.2936 2.2944 2.3476 2.3534 2.7111 2.8817 2.9064 2.9435 2.9752 3.0734 3.2217 3.2785 3.4277 3.4547 3.8473 3.8834 4.4981 4.5658 5.0710 5.0802 6.0821 6.1192 6.4547 6.4637 12.6933 12.7042 14.4552 14.4619 14.9349 14.9375 15.7804 15.7818 k = 0.4464 0.2577-0.0000 ( 1736 PWs) bands (ev): -10.1581 -10.1567 -9.9051 -9.9022 1.3147 1.3287 1.5428 1.5556 1.8432 1.8447 2.1580 2.1818 2.2925 2.2951 2.3507 2.3509 2.7282 2.8779 2.9096 2.9435 2.9801 3.0685 3.2097 3.2592 3.4561 3.4785 3.8293 3.8622 4.4842 4.5451 5.0543 5.0624 6.0630 6.0959 6.4456 6.4534 12.7746 12.7848 14.3867 14.3932 14.9322 14.9343 15.7745 15.7756 k = 0.4554 0.2629-0.0000 ( 1740 PWs) bands (ev): -10.1498 -10.1486 -9.9054 -9.9028 1.3216 1.3341 1.5394 1.5507 1.8436 1.8450 2.1697 2.1902 2.2903 2.2944 2.3499 2.3535 2.7445 2.8713 2.9133 2.9429 2.9856 3.0625 3.1998 3.2405 3.4863 3.5060 3.8085 3.8382 4.4750 4.5278 5.0402 5.0470 6.0468 6.0751 6.4379 6.4445 12.8496 12.8590 14.3225 14.3285 14.9295 14.9312 15.7698 15.7707 k = 0.4643 0.2681-0.0000 ( 1742 PWs) bands (ev): -10.1429 -10.1419 -9.9056 -9.9036 1.3281 1.3387 1.5365 1.5461 1.8440 1.8451 2.1803 2.1972 2.2882 2.2923 2.3507 2.3553 2.7601 2.8625 2.9171 2.9417 2.9917 3.0555 3.1922 3.2239 3.5176 3.5354 3.7855 3.8118 4.4697 4.5132 5.0287 5.0342 6.0338 6.0570 6.4317 6.4371 12.9168 12.9250 14.2644 14.2699 14.9270 14.9283 15.7661 15.7668 k = 0.4732 0.2732-0.0000 ( 1746 PWs) bands (ev): -10.1374 -10.1366 -9.9058 -9.9043 1.3338 1.3422 1.5344 1.5419 1.8442 1.8451 2.1895 2.2025 2.2863 2.2895 2.3521 2.3565 2.7750 2.8523 2.9208 2.9399 2.9983 3.0475 3.1872 3.2102 3.5491 3.5655 3.7608 3.7838 4.4678 4.5012 5.0198 5.0239 6.0243 6.0420 6.4270 6.4310 12.9737 12.9803 14.2150 14.2196 14.9249 14.9259 15.7634 15.7639 k = 0.4821 0.2784-0.0000 ( 1750 PWs) bands (ev): -10.1333 -10.1328 -9.9060 -9.9049 1.3386 1.3444 1.5331 1.5383 1.8444 1.8450 2.1971 2.2059 2.2847 2.2869 2.3538 2.3570 2.7894 2.8411 2.9246 2.9375 3.0055 3.0390 3.1846 3.1995 3.5796 3.5942 3.7361 3.7552 4.4686 4.4912 5.0135 5.0163 6.0182 6.0302 6.4238 6.4265 13.0178 13.0225 14.1770 14.1803 14.9233 14.9240 15.7615 15.7618 k = 0.4911 0.2835-0.0000 ( 1750 PWs) bands (ev): -10.1308 -10.1305 -9.9059 -9.9054 1.3423 1.3453 1.5328 1.5355 1.8446 1.8449 2.2027 2.2072 2.2838 2.2849 2.3552 2.3569 2.8031 2.8290 2.9282 2.9348 3.0134 3.0303 3.1844 3.1918 3.6068 3.6174 3.7160 3.7289 4.4716 4.4830 5.0101 5.0115 6.0158 6.0218 6.4222 6.4235 13.0463 13.0487 14.1530 14.1548 14.9224 14.9228 15.7604 15.7606 k = 0.5000 0.2887-0.0000 ( 1750 PWs) bands (ev): -10.1299 -10.1299 -9.9058 -9.9058 1.3446 1.3446 1.5336 1.5336 1.8447 1.8447 2.2061 2.2061 2.2838 2.2838 2.3563 2.3563 2.8164 2.8164 2.9316 2.9316 3.0217 3.0217 3.1868 3.1868 3.6233 3.6233 3.7118 3.7118 4.4765 4.4765 5.0094 5.0094 6.0170 6.0170 6.4221 6.4221 13.0569 13.0569 14.1454 14.1454 14.9222 14.9222 15.7601 15.7601 k = 0.5000 0.2887-0.0000 ( 1750 PWs) bands (ev): -10.1299 -10.1299 -9.9058 -9.9058 1.3446 1.3446 1.5336 1.5336 1.8447 1.8447 2.2061 2.2061 2.2838 2.2838 2.3563 2.3563 2.8164 2.8164 2.9316 2.9316 3.0217 3.0217 3.1868 3.1868 3.6233 3.6233 3.7118 3.7118 4.4765 4.4765 5.0094 5.0094 6.0170 6.0170 6.4221 6.4221 13.0569 13.0569 14.1454 14.1454 14.9222 14.9222 15.7601 15.7601 k = 0.4949 0.2974-0.0000 ( 1750 PWs) bands (ev): -10.1297 -10.1296 -9.9058 -9.9057 1.3432 1.3469 1.5338 1.5356 1.8396 1.8495 2.2012 2.2103 2.2810 2.2866 2.3547 2.3588 2.8138 2.8187 2.9285 2.9345 3.0133 3.0299 3.1840 3.1894 3.6201 3.6267 3.7094 3.7155 4.4758 4.4762 5.0058 5.0095 6.0136 6.0184 6.4182 6.4225 13.0598 13.0598 14.1482 14.1486 14.9224 14.9227 15.7602 15.7604 k = 0.4899 0.3062-0.0000 ( 1746 PWs) bands (ev): -10.1291 -10.1289 -9.9059 -9.9056 1.3429 1.3503 1.5361 1.5399 1.8342 1.8540 2.1954 2.2135 2.2782 2.2893 2.3542 2.3623 2.8110 2.8210 2.9252 2.9370 3.0047 3.0379 3.1811 3.1918 3.6172 3.6303 3.7083 3.7204 4.4743 4.4749 4.9989 5.0063 6.0084 6.0180 6.4108 6.4194 13.0685 13.0686 14.1568 14.1576 14.9231 14.9237 15.7608 15.7610 k = 0.4848 0.3149-0.0000 ( 1750 PWs) bands (ev): -10.1281 -10.1278 -9.9060 -9.9056 1.3435 1.3547 1.5405 1.5462 1.8284 1.8580 2.1890 2.2158 2.2755 2.2921 2.3546 2.3665 2.8080 2.8230 2.9218 2.9390 2.9960 3.0456 3.1781 3.1939 3.6145 3.6340 3.7084 3.7263 4.4716 4.4724 4.9889 4.9999 6.0012 6.0156 6.3999 6.4128 13.0829 13.0830 14.1712 14.1724 14.9243 14.9253 15.7617 15.7620 k = 0.4798 0.3237-0.0000 ( 1754 PWs) bands (ev): -10.1267 -10.1263 -9.9061 -9.9055 1.3450 1.3600 1.5471 1.5547 1.8224 1.8617 2.1819 2.2167 2.2731 2.2950 2.3560 2.3714 2.8048 2.8249 2.9183 2.9405 2.9872 3.0531 3.1749 3.1957 3.6120 3.6378 3.7098 3.7333 4.4676 4.4685 4.9762 4.9907 5.9921 6.0113 6.3858 6.4030 13.1029 13.1031 14.1912 14.1927 14.9261 14.9274 15.7629 15.7635 k = 0.4747 0.3324-0.0000 ( 1744 PWs) bands (ev): -10.1248 -10.1244 -9.9062 -9.9055 1.3475 1.3664 1.5558 1.5654 1.8161 1.8652 2.1743 2.2165 2.2717 2.2982 2.3580 2.3769 2.8015 2.8266 2.9150 2.9416 2.9784 3.0604 3.1718 3.1974 3.6098 3.6418 3.7124 3.7414 4.4620 4.4628 4.9613 4.9793 5.9811 6.0050 6.3686 6.3900 13.1284 13.1287 14.2165 14.2182 14.9284 14.9300 15.7646 15.7652 k = 0.4697 0.3412-0.0000 ( 1744 PWs) bands (ev): -10.1226 -10.1221 -9.9064 -9.9055 1.3509 1.3738 1.5666 1.5782 1.8096 1.8684 2.1661 2.2145 2.2712 2.3017 2.3606 2.3826 2.7978 2.8282 2.9115 2.9419 2.9697 3.0674 3.1685 3.1986 3.6080 3.6457 3.7162 3.7503 4.4542 4.4546 4.9451 4.9663 5.9681 5.9968 6.3485 6.3741 13.1592 13.1595 14.2468 14.2487 14.9313 14.9331 15.7666 15.7673 k = 0.4646 0.3499-0.0000 ( 1744 PWs) bands (ev): -10.1199 -10.1193 -9.9066 -9.9055 1.3551 1.3821 1.5794 1.5932 1.8030 1.8712 2.1575 2.2109 2.2721 2.3055 2.3636 2.3887 2.7939 2.8296 2.9081 2.9415 2.9611 3.0741 3.1651 3.1995 3.6064 3.6497 3.7212 3.7600 4.4435 4.4438 4.9284 4.9525 5.9531 5.9865 6.3258 6.3554 13.1951 13.1955 14.2817 14.2837 14.9346 14.9368 15.7688 15.7697 k = 0.4596 0.3587-0.0000 ( 1742 PWs) bands (ev): -10.1169 -10.1162 -9.9068 -9.9056 1.3601 1.3913 1.5943 1.6103 1.7964 1.8740 2.1484 2.2059 2.2741 2.3096 2.3668 2.3951 2.7897 2.8309 2.9048 2.9406 2.9527 3.0804 3.1618 3.2000 3.6051 3.6535 3.7271 3.7704 4.4285 4.4302 4.9122 4.9389 5.9361 5.9741 6.3008 6.3343 13.2358 13.2362 14.3206 14.3228 14.9384 14.9408 15.7713 15.7723 k = 0.4545 0.3674-0.0000 ( 1742 PWs) bands (ev): -10.1135 -10.1127 -9.9070 -9.9057 1.3658 1.4013 1.6110 1.6294 1.7898 1.8765 2.1391 2.1997 2.2772 2.3140 2.3702 2.4018 2.7853 2.8321 2.9013 2.9389 2.9446 3.0863 3.1583 3.2001 3.6040 3.6573 3.7340 3.7814 4.4091 4.4126 4.8977 4.9265 5.9172 5.9595 6.2738 6.3110 13.2810 13.2816 14.3632 14.3653 14.9426 14.9453 15.7740 15.7751 k = 0.4495 0.3762-0.0000 ( 1750 PWs) bands (ev): -10.1097 -10.1088 -9.9074 -9.9059 1.3722 1.4122 1.6295 1.6506 1.7831 1.8789 2.1295 2.1926 2.2813 2.3186 2.3735 2.4086 2.7806 2.8331 2.8976 2.9367 2.9370 3.0915 3.1548 3.1998 3.6033 3.6608 3.7415 3.7928 4.3847 4.3907 4.8856 4.9160 5.8964 5.9428 6.2452 6.2858 13.3305 13.3312 14.4088 14.4108 14.9471 14.9501 15.7767 15.7780 k = 0.4444 0.3849-0.0000 ( 1750 PWs) bands (ev): -10.1055 -10.1046 -9.9077 -9.9061 1.3792 1.4238 1.6498 1.6738 1.7769 1.8813 2.1197 2.1849 2.2862 2.3237 2.3769 2.4157 2.7758 2.8340 2.8937 2.9301 2.9340 3.0961 3.1515 3.1990 3.6029 3.6641 3.7498 3.8045 4.3548 4.3639 4.8769 4.9084 5.8737 5.9240 6.2153 6.2588 13.3840 13.3847 14.4568 14.4587 14.9521 14.9553 15.7794 15.7808 k = 0.4394 0.3936-0.0000 ( 1746 PWs) bands (ev): -10.1011 -10.1000 -9.9082 -9.9065 1.3868 1.4361 1.6714 1.6990 1.7712 1.8837 2.1098 2.1767 2.2918 2.3290 2.3803 2.4231 2.7707 2.8348 2.8894 2.9240 2.9308 3.0997 3.1485 3.1978 3.6028 3.6672 3.7585 3.8163 4.3194 4.3323 4.8719 4.9041 5.8494 5.9030 6.1845 6.2304 13.4411 13.4420 14.5067 14.5083 14.9573 14.9607 15.7819 15.7835 k = 0.4343 0.4024-0.0000 ( 1746 PWs) bands (ev): -10.0963 -10.0952 -9.9087 -9.9069 1.3948 1.4488 1.6938 1.7262 1.7669 1.8863 2.0998 2.1681 2.2980 2.3345 2.3834 2.4307 2.7655 2.8355 2.8845 2.9187 2.9273 3.1018 3.1460 3.1961 3.6030 3.6699 3.7675 3.8282 4.2788 4.2960 4.8709 4.9034 5.8234 5.8799 6.1531 6.2008 13.5016 13.5025 14.5577 14.5591 14.9627 14.9664 15.7840 15.7858 k = 0.4293 0.4111-0.0000 ( 1744 PWs) bands (ev): -10.0912 -10.0900 -9.9094 -9.9074 1.4031 1.4620 1.7151 1.7551 1.7657 1.8891 2.0898 2.1592 2.3049 2.3403 2.3865 2.4385 2.7602 2.8362 2.8790 2.9143 2.9234 3.1021 3.1441 3.1939 3.6035 3.6723 3.7767 3.8399 4.2336 4.2554 4.8736 4.9064 5.7961 5.8548 6.1212 6.1701 13.5650 13.5661 14.6093 14.6103 14.9684 14.9722 15.7855 15.7874 k = 0.4242 0.4199-0.0000 ( 1742 PWs) bands (ev): -10.0858 -10.0845 -9.9102 -9.9081 1.4118 1.4755 1.7298 1.7733 1.7858 1.8922 2.0798 2.1501 2.3123 2.3464 2.3895 2.4467 2.7549 2.8368 2.8730 2.9104 2.9194 3.1005 3.1430 3.1910 3.6044 3.6743 3.7859 3.8512 4.1843 4.2110 4.8800 4.9130 5.7676 5.8281 6.0890 6.1384 13.6311 13.6323 14.6608 14.6614 14.9741 14.9782 15.7861 15.7882 k = 0.4192 0.4286-0.0000 ( 1742 PWs) bands (ev): -10.0802 -10.0788 -9.9111 -9.9089 1.4206 1.4889 1.7341 1.7934 1.8180 1.8957 2.0699 2.1408 2.3201 2.3526 2.3924 2.4553 2.7495 2.8372 2.8666 2.9070 2.9152 3.0968 3.1424 3.1874 3.6056 3.6758 3.7949 3.8621 4.1319 4.1638 4.8897 4.9229 5.7384 5.8000 6.0567 6.1059 13.6996 13.7009 14.7117 14.7118 14.9800 14.9841 15.7854 15.7876 k = 0.4141 0.4374-0.0000 ( 1738 PWs) bands (ev): -10.0743 -10.0728 -9.9122 -9.9099 1.4295 1.5021 1.7336 1.8205 1.8512 1.9000 2.0601 2.1315 2.3284 2.3590 2.3953 2.4643 2.7441 2.8376 2.8601 2.9039 2.9110 3.0913 3.1419 3.1830 3.6072 3.6769 3.8034 3.8722 4.0771 4.1145 4.9023 4.9359 5.7086 5.7709 6.0241 6.0727 13.7701 13.7716 14.7610 14.7614 14.9858 14.9901 15.7830 15.7855 k = 0.4091 0.4461-0.0000 ( 1742 PWs) bands (ev): -10.0682 -10.0666 -9.9134 -9.9110 1.4383 1.5147 1.7324 1.8505 1.8833 1.9073 2.0505 2.1222 2.3371 2.3656 2.3982 2.4737 2.7388 2.8379 2.8533 2.9008 2.9068 3.0843 3.1408 3.1777 3.6092 3.6774 3.8114 3.8814 4.0209 4.0641 4.9177 4.9517 5.6786 5.7412 5.9914 6.0387 13.8424 13.8439 14.8084 14.8093 14.9915 14.9959 15.7786 15.7811 k = 0.4040 0.4549-0.0000 ( 1746 PWs) bands (ev): -10.0619 -10.0602 -9.9149 -9.9124 1.4471 1.5265 1.7320 1.8820 1.9014 1.9302 2.0414 2.1129 2.3464 2.3724 2.4012 2.4837 2.7334 2.8382 2.8463 2.8976 2.9026 3.0758 3.1387 3.1712 3.6115 3.6772 3.8185 3.8895 3.9641 4.0136 4.9355 4.9701 5.6489 5.7114 5.9583 6.0039 13.9161 13.9177 14.8536 14.8552 14.9971 15.0017 15.7715 15.7742 k = 0.3990 0.4636-0.0000 ( 1742 PWs) bands (ev): -10.0554 -10.0536 -9.9166 -9.9140 1.4559 1.5370 1.7332 1.9084 1.9141 1.9655 2.0331 2.1039 2.3560 2.3795 2.4045 2.4943 2.7282 2.8385 2.8393 2.8943 2.8987 3.0660 3.1351 3.1634 3.6143 3.6761 3.8247 3.8961 3.9077 3.9642 4.9556 4.9908 5.6198 5.6822 5.9249 5.9684 13.9910 13.9927 14.8963 14.8985 15.0026 15.0072 15.7614 15.7641 k = 0.3939 0.4724-0.0000 ( 1746 PWs) bands (ev): -10.0488 -10.0468 -9.9184 -9.9158 1.4643 1.5459 1.7361 1.9139 1.9451 2.0028 2.0269 2.0954 2.3660 2.3868 2.4083 2.5056 2.7230 2.8323 2.8388 2.8906 2.8951 3.0547 3.1295 3.1539 3.6175 3.6737 3.8297 3.8528 3.8992 3.9192 4.9777 5.0137 5.5917 5.6538 5.8910 5.9323 14.0667 14.0685 14.9360 14.9390 15.0077 15.0126 15.7477 15.7504 k = 0.3889 0.4811-0.0000 ( 1746 PWs) bands (ev): -10.0421 -10.0400 -9.9206 -9.9179 1.4725 1.5528 1.7413 1.9194 1.9708 2.0268 2.0391 2.0889 2.3764 2.3944 2.4128 2.5176 2.7178 2.8252 2.8390 2.8868 2.8918 3.0419 3.1216 3.1425 3.6209 3.6696 3.8006 3.8334 3.8705 3.9079 5.0017 5.0384 5.5650 5.6268 5.8565 5.8954 14.1430 14.1449 14.9722 14.9764 15.0125 15.0182 15.7300 15.7327 k = 0.3838 0.4899-0.0000 ( 1744 PWs) bands (ev): -10.0352 -10.0330 -9.9230 -9.9202 1.4804 1.5577 1.7487 1.9249 1.9817 2.0417 2.0625 2.0955 2.3870 2.4024 2.4185 2.5304 2.7123 2.8184 2.8392 2.8827 2.8891 3.0272 3.1112 3.1290 3.6242 3.6628 3.7525 3.8331 3.8355 3.9094 5.0274 5.0650 5.5399 5.6017 5.8213 5.8578 14.2198 14.2217 15.0029 15.0105 15.0170 15.0255 15.7080 15.7105 k = 0.3788 0.4986-0.0000 ( 1744 PWs) bands (ev): -10.0283 -10.0259 -9.9257 -9.9229 1.4879 1.5605 1.7582 1.9304 1.9799 2.0612 2.0695 2.1263 2.3979 2.4110 2.4259 2.5440 2.7061 2.8120 2.8392 2.8784 2.8868 3.0102 3.0980 3.1132 3.6259 3.6522 3.7111 3.8026 3.8360 3.9095 5.0547 5.0932 5.5169 5.5788 5.7853 5.8196 14.2966 14.2986 15.0194 15.0209 15.0410 15.0429 15.6814 15.6838 k = 0.3737 0.5074-0.0000 ( 1748 PWs) bands (ev): -10.0213 -10.0188 -9.9287 -9.9258 1.4949 1.5616 1.7695 1.9359 1.9738 2.0542 2.1010 2.1611 2.4089 2.4200 2.4356 2.5583 2.6986 2.8063 2.8391 2.8741 2.8851 2.9904 3.0824 3.0948 3.6213 3.6373 3.6821 3.7807 3.8346 3.9078 5.0834 5.1229 5.4960 5.5585 5.7486 5.7808 14.3734 14.3754 15.0244 15.0252 15.0667 15.0676 15.6505 15.6525 k = 0.3687 0.5161-0.0000 ( 1748 PWs) bands (ev): -10.0143 -10.0117 -9.9320 -9.9291 1.5016 1.5612 1.7821 1.9411 1.9667 2.0466 2.1327 2.1939 2.4200 2.4300 2.4489 2.5735 2.6893 2.8021 2.8388 2.8698 2.8838 2.9675 3.0650 3.0741 3.6044 3.6190 3.6720 3.7672 3.8314 3.9041 5.1136 5.1539 5.4775 5.5411 5.7111 5.7417 14.4499 14.4519 15.0274 15.0286 15.0878 15.0896 15.6156 15.6173 k = 0.3636 0.5249-0.0000 ( 1752 PWs) bands (ev): -10.0073 -10.0045 -9.9357 -9.9328 1.5079 1.5596 1.7955 1.9458 1.9595 2.0392 2.1632 2.2225 2.4310 2.4409 2.4667 2.5893 2.6774 2.8000 2.8381 2.8655 2.8819 2.9421 3.0466 3.0513 3.5818 3.5995 3.6748 3.7603 3.8262 3.8985 5.1449 5.1861 5.4612 5.5266 5.6730 5.7024 14.5259 14.5278 15.0299 15.0310 15.1038 15.1061 15.5778 15.5789 k = 0.3586 0.5336-0.0000 ( 1752 PWs) bands (ev): -10.0004 -9.9974 -9.9397 -9.9368 1.5138 1.5571 1.8091 1.9497 1.9527 2.0324 2.1914 2.2455 2.4416 2.4532 2.4898 2.6056 2.6626 2.8007 2.8366 2.8615 2.8748 2.9193 3.0272 3.0282 3.5611 3.5807 3.6830 3.7581 3.8191 3.8913 5.1774 5.2194 5.4469 5.5151 5.6345 5.6635 14.6013 14.6031 15.0318 15.0327 15.1130 15.1155 15.5387 15.5393 k = 0.3535 0.5424-0.0000 ( 1756 PWs) bands (ev): -9.9935 -9.9904 -9.9441 -9.9412 1.5193 1.5539 1.8222 1.9466 1.9523 2.0265 2.2167 2.2624 2.4518 2.4670 2.5174 2.6219 2.6449 2.8042 2.8307 2.8556 2.8577 2.9101 3.0025 3.0101 3.5446 3.5641 3.6940 3.7589 3.8102 3.8825 5.2109 5.2534 5.4338 5.5059 5.5963 5.6258 14.6759 14.6776 15.0331 15.0338 15.1127 15.1152 15.5011 15.5013 k = 0.3485 0.5511-0.0000 ( 1757 PWs) bands (ev): -9.9868 -9.9834 -9.9488 -9.9461 1.5245 1.5503 1.8340 1.9420 1.9534 2.0219 2.2383 2.2734 2.4612 2.4824 2.5470 2.6267 2.6379 2.8047 2.8106 2.8439 2.8543 2.9120 2.9785 2.9929 3.5329 3.5501 3.7071 3.7617 3.7995 3.8728 5.2452 5.2880 5.4207 5.4973 5.5607 5.5909 14.7495 14.7510 15.0339 15.0343 15.0998 15.1020 15.4686 15.4687 k = 0.3434 0.5599-0.0000 ( 1761 PWs) bands (ev): -9.9803 -9.9766 -9.9539 -9.9513 1.5294 1.5464 1.8435 1.9396 1.9525 2.0188 2.2557 2.2791 2.4696 2.4994 2.5665 2.6189 2.6530 2.7640 2.8191 2.8418 2.8508 2.9187 2.9570 2.9765 3.5258 3.5390 3.7218 3.7651 3.7873 3.8633 5.2801 5.3223 5.4053 5.4827 5.5348 5.5612 14.8219 14.8232 15.0341 15.0342 15.0711 15.0727 15.4449 15.4451 k = 0.3384 0.5686-0.0000 ( 1761 PWs) bands (ev): -9.9743 -9.9699 -9.9591 -9.9570 1.5339 1.5424 1.8496 1.9403 1.9494 2.0172 2.2686 2.2801 2.4762 2.5177 2.5568 2.6406 2.6666 2.7197 2.8285 2.8417 2.8468 2.9280 2.9408 2.9618 3.5233 3.5307 3.7378 3.7674 3.7743 3.8556 5.3147 5.3537 5.3852 5.4571 5.5261 5.5398 14.8929 14.8938 15.0246 15.0257 15.0348 15.0349 15.4316 15.4317 k = 0.3333 0.5774-0.0000 ( 1767 PWs) bands (ev): -9.9707 -9.9642 -9.9623 -9.9623 1.5381 1.5381 1.8516 1.9444 1.9444 2.0167 2.2767 2.2767 2.4792 2.5367 2.5367 2.6737 2.6737 2.6793 2.8346 2.8424 2.8424 2.9345 2.9345 2.9533 3.5252 3.5252 3.7491 3.7663 3.7663 3.8525 5.3389 5.3686 5.3686 5.4400 5.5287 5.5287 14.9537 14.9539 14.9733 14.9733 15.0339 15.0339 15.4277 15.4277 k = 0.3333 0.5774-0.0000 ( 1767 PWs) bands (ev): -9.9707 -9.9642 -9.9623 -9.9623 1.5381 1.5381 1.8516 1.9444 1.9444 2.0167 2.2767 2.2767 2.4792 2.5367 2.5367 2.6737 2.6737 2.6793 2.8346 2.8424 2.8424 2.9345 2.9345 2.9533 3.5252 3.5252 3.7491 3.7663 3.7663 3.8525 5.3389 5.3686 5.3686 5.4400 5.5287 5.5287 14.9537 14.9539 14.9733 14.9733 15.0339 15.0339 15.4277 15.4277 k = 0.3282 0.5685-0.0000 ( 1759 PWs) bands (ev): -9.9745 -9.9701 -9.9590 -9.9567 1.5340 1.5423 1.8498 1.9377 1.9519 2.0170 2.2686 2.2798 2.4740 2.5221 2.5555 2.6313 2.6878 2.7068 2.8264 2.8438 2.8468 2.9272 2.9416 2.9623 3.5225 3.5316 3.7384 3.7595 3.7813 3.8561 5.3135 5.3454 5.3949 5.4581 5.5274 5.5373 14.8872 14.8882 15.0220 15.0273 15.0396 15.0442 15.4309 15.4310 k = 0.3231 0.5596-0.0000 ( 1751 PWs) bands (ev): -9.9812 -9.9773 -9.9534 -9.9505 1.5299 1.5463 1.8448 1.9295 1.9615 2.0176 2.2557 2.2775 2.4583 2.5185 2.5667 2.5973 2.6949 2.7339 2.8130 2.8458 2.8549 2.9162 2.9602 2.9785 3.5227 3.5424 3.7222 3.7477 3.8033 3.8667 5.2732 5.3049 5.4311 5.4923 5.5344 5.5502 14.8018 14.8038 15.0272 15.0305 15.1030 15.1047 15.4392 15.4393 k = 0.3179 0.5507-0.0000 ( 1747 PWs) bands (ev): -9.9887 -9.9851 -9.9477 -9.9445 1.5259 1.5500 1.8375 1.9201 1.9722 2.0181 2.2378 2.2692 2.4391 2.5207 2.5440 2.5996 2.7001 2.7476 2.8034 2.8482 2.8678 2.9066 2.9857 2.9963 3.5260 3.5572 3.7055 3.7328 3.8278 3.8826 5.2287 5.2599 5.4676 5.5300 5.5482 5.5669 14.7084 14.7113 15.0259 15.0292 15.1693 15.1702 15.4510 15.4510 k = 0.3128 0.5418-0.0000 ( 1747 PWs) bands (ev): -9.9969 -9.9934 -9.9422 -9.9387 1.5221 1.5535 1.8284 1.9093 1.9833 2.0180 2.2155 2.2546 2.4212 2.5134 2.5244 2.6120 2.7040 2.7422 2.8030 2.8507 2.8877 2.8995 3.0146 3.0147 3.5322 3.5747 3.6903 3.7170 3.8545 3.9027 5.1818 5.2129 5.5030 5.5674 5.5683 5.5884 14.6087 14.6124 15.0240 15.0276 15.2341 15.2344 15.4652 15.4653 k = 0.3077 0.5329-0.0000 ( 1747 PWs) bands (ev): -10.0056 -10.0022 -9.9370 -9.9333 1.5184 1.5569 1.8178 1.8972 1.9942 2.0171 2.1900 2.2342 2.4061 2.4874 2.5285 2.6210 2.7076 2.7256 2.8062 2.8535 2.8956 2.9137 3.0329 3.0442 3.5406 3.5909 3.6809 3.7025 3.8836 3.9263 5.1334 5.1649 5.5365 5.5946 5.5992 5.6190 14.5039 14.5083 15.0218 15.0258 15.2969 15.2971 15.4814 15.4815 k = 0.3026 0.5241-0.0000 ( 1747 PWs) bands (ev): -10.0149 -10.0116 -9.9320 -9.9281 1.5149 1.5601 1.8058 1.8835 2.0046 2.0149 2.1633 2.2087 2.3934 2.4665 2.5325 2.6247 2.7053 2.7113 2.8085 2.8568 2.8950 2.9435 3.0508 3.0725 3.5492 3.5973 3.6856 3.6926 3.9152 3.9530 5.0841 5.1163 5.5679 5.6261 5.6265 5.6576 14.3949 14.4000 15.0196 15.0241 15.3575 15.3582 15.4991 15.4995 k = 0.2974 0.5152-0.0000 ( 1751 PWs) bands (ev): -10.0248 -10.0216 -9.9274 -9.9233 1.5117 1.5632 1.7923 1.8678 2.0111 2.0143 2.1370 2.1799 2.3826 2.4501 2.5363 2.6229 2.6837 2.7150 2.8098 2.8611 2.8973 2.9750 3.0683 3.0982 3.5540 3.5896 3.6920 3.7085 3.9494 3.9827 5.0344 5.0673 5.5982 5.6532 5.6624 5.6985 14.2823 14.2880 15.0174 15.0223 15.4161 15.4173 15.5183 15.5189 k = 0.2923 0.5063-0.0000 ( 1747 PWs) bands (ev): -10.0352 -10.0320 -9.9230 -9.9189 1.5088 1.5662 1.7775 1.8499 2.0053 2.0230 2.1134 2.1496 2.3732 2.4368 2.5399 2.6166 2.6618 2.7178 2.8104 2.8665 2.9022 3.0072 3.0858 3.1213 3.5510 3.5741 3.7048 3.7428 3.9865 4.0154 4.9845 5.0182 5.6286 5.6818 5.7010 5.7403 14.1668 14.1731 15.0154 15.0207 15.4724 15.4741 15.5390 15.5398 k = 0.2872 0.4974-0.0000 ( 1745 PWs) bands (ev): -10.0462 -10.0431 -9.9191 -9.9148 1.5061 1.5691 1.7611 1.8296 1.9971 2.0305 2.0936 2.1194 2.3644 2.4256 2.5433 2.6069 2.6400 2.7194 2.8105 2.8726 2.9089 3.0384 3.1037 3.1419 3.5400 3.5554 3.7311 3.7831 4.0269 4.0511 4.9348 4.9691 5.6598 5.7120 5.7410 5.7824 14.0488 14.0555 15.0135 15.0192 15.5261 15.5282 15.5614 15.5623 k = 0.2821 0.4885-0.0000 ( 1741 PWs) bands (ev): -10.0577 -10.0547 -9.9155 -9.9111 1.5038 1.5720 1.7432 1.8068 1.9867 2.0365 2.0781 2.0907 2.3561 2.4157 2.5462 2.5948 2.6186 2.7195 2.8102 2.8790 2.9167 3.0670 3.1225 3.1621 3.5238 3.5355 3.7675 3.8269 4.0706 4.0900 4.8856 4.9204 5.6921 5.7439 5.7819 5.8247 13.9286 13.9358 15.0118 15.0178 15.5760 15.5764 15.5875 15.5886 k = 0.2769 0.4796-0.0000 ( 1737 PWs) bands (ev): -10.0698 -10.0668 -9.9124 -9.9078 1.5018 1.5746 1.7236 1.7817 1.9748 2.0390 2.0659 2.0663 2.3479 2.4065 2.5482 2.5811 2.5984 2.7186 2.8097 2.8852 2.9247 3.0906 3.1429 3.1844 3.5048 3.5151 3.8107 3.8726 4.1180 4.1321 4.8373 4.8723 5.7256 5.7772 5.8234 5.8670 13.8067 13.8143 15.0103 15.0167 15.6067 15.6092 15.6283 15.6325 k = 0.2718 0.4708-0.0000 ( 1737 PWs) bands (ev): -10.0824 -10.0795 -9.9096 -9.9049 1.5000 1.5771 1.7026 1.7549 1.9626 2.0294 2.0542 2.0572 2.3397 2.3977 2.5474 2.5663 2.5812 2.7167 2.8089 2.8911 2.9322 3.1074 3.1648 3.2109 3.4844 3.4946 3.8583 3.9193 4.1692 4.1775 4.7901 4.8249 5.7603 5.8118 5.8651 5.9093 13.6833 13.6912 15.0090 15.0157 15.6337 15.6365 15.6735 15.6783 k = 0.2667 0.4619-0.0000 ( 1729 PWs) bands (ev): -10.0955 -10.0927 -9.9072 -9.9024 1.4986 1.5795 1.6804 1.7270 1.9508 2.0097 2.0496 2.0537 2.3315 2.3893 2.5395 2.5508 2.5716 2.7143 2.8079 2.8968 2.9388 3.1177 3.1884 3.2418 3.4635 3.4743 3.9088 3.9665 4.2242 4.2264 4.7445 4.7788 5.7962 5.8476 5.9069 5.9516 13.5587 13.5669 15.0079 15.0149 15.6618 15.6650 15.7158 15.7213 k = 0.2615 0.4530-0.0000 ( 1735 PWs) bands (ev): -10.1092 -10.1065 -9.9053 -9.9004 1.4973 1.5815 1.6572 1.6987 1.9394 1.9899 2.0427 2.0539 2.3229 2.3811 2.5239 2.5347 2.5700 2.7113 2.8066 2.9021 2.9440 3.1230 3.2133 3.2755 3.4425 3.4543 3.9610 4.0136 4.2786 4.2825 4.7009 4.7340 5.8331 5.8844 5.9488 5.9937 13.4330 13.4415 15.0070 15.0142 15.6915 15.6951 15.7545 15.7606 k = 0.2564 0.4441-0.0000 ( 1735 PWs) bands (ev): -10.1233 -10.1207 -9.9038 -9.8988 1.4964 1.5829 1.6334 1.6708 1.9289 1.9720 2.0361 2.0529 2.3141 2.3730 2.5059 2.5184 2.5716 2.7081 2.8050 2.9070 2.9480 3.1249 3.2391 3.3105 3.4222 3.4349 4.0141 4.0607 4.3342 4.3440 4.6600 4.6913 5.8709 5.9222 5.9905 6.0355 13.3066 13.3153 15.0061 15.0136 15.7229 15.7270 15.7893 15.7959 k = 0.2513 0.4352-0.0000 ( 1739 PWs) bands (ev): -10.1380 -10.1355 -9.9028 -9.8977 1.4958 1.5832 1.6094 1.6446 1.9190 1.9559 2.0294 2.0505 2.3048 2.3652 2.4873 2.5020 2.5742 2.7048 2.8032 2.9115 2.9509 3.1245 3.2651 3.3445 3.4037 3.4163 4.0676 4.1075 4.3929 4.4076 4.6227 4.6509 5.9096 5.9608 6.0321 6.0771 13.1796 13.1884 15.0051 15.0129 15.7563 15.7608 15.8197 15.8267 k = 0.2462 0.4264-0.0000 ( 1739 PWs) bands (ev): -10.1532 -10.1507 -9.9022 -9.8970 1.4956 1.5800 1.5855 1.6226 1.9096 1.9415 2.0224 2.0464 2.2952 2.3577 2.4691 2.4855 2.5774 2.7015 2.8010 2.9155 2.9529 3.1226 3.2905 3.3671 3.3970 3.3989 4.1212 4.1544 4.4542 4.4714 4.5913 4.6139 5.9490 6.0001 6.0735 6.1184 13.0522 13.0612 15.0041 15.0121 15.7915 15.7966 15.8451 15.8525 k = 0.2410 0.4175-0.0000 ( 1739 PWs) bands (ev): -10.1688 -10.1664 -9.9020 -9.8967 1.4955 1.5622 1.5688 1.6098 1.9006 1.9285 2.0149 2.0407 2.2852 2.3503 2.4513 2.4689 2.5809 2.6981 2.7986 2.9188 2.9542 3.1194 3.3138 3.3573 3.3833 3.4225 4.1748 4.2011 4.5154 4.5209 4.5805 4.5829 5.9891 6.0400 6.1147 6.1592 12.9245 12.9336 15.0027 15.0109 15.8287 15.8342 15.8655 15.8729 k = 0.2359 0.4086-0.0000 ( 1747 PWs) bands (ev): -10.1848 -10.1826 -9.9023 -9.8969 1.4955 1.5398 1.5496 1.6060 1.8919 1.9167 2.0070 2.0334 2.2747 2.3431 2.4339 2.4523 2.5844 2.6949 2.7957 2.9213 2.9551 3.1154 3.3314 3.3408 3.3728 3.4537 4.2285 4.2476 4.5183 4.5393 4.5956 4.6286 6.0296 6.0804 6.1554 6.1997 12.7967 12.8058 15.0008 15.0092 15.8664 15.8704 15.8835 15.8887 k = 0.2308 0.3997-0.0000 ( 1749 PWs) bands (ev): -10.2013 -10.1991 -9.9030 -9.8975 1.4952 1.5191 1.5282 1.6060 1.8834 1.9060 1.9986 2.0248 2.2638 2.3358 2.4171 2.4359 2.5882 2.6918 2.7926 2.9229 2.9558 3.1107 3.3244 3.3342 3.3758 3.4834 4.2822 4.2935 4.5033 4.5183 4.6598 4.6968 6.0706 6.1213 6.1958 6.2396 12.6688 12.6780 14.9982 15.0067 15.8841 15.8891 15.9154 15.9200 k = 0.2256 0.3908-0.0000 ( 1749 PWs) bands (ev): -10.2181 -10.2161 -9.9041 -9.8986 1.4905 1.5042 1.5071 1.6074 1.8752 1.8961 1.9898 2.0148 2.2525 2.3283 2.4008 2.4196 2.5922 2.6889 2.7891 2.9235 2.9564 3.1054 3.3089 3.3252 3.3889 3.5102 4.3362 4.3377 4.4938 4.4992 4.7291 4.7685 6.1120 6.1624 6.2358 6.2791 12.5411 12.5503 14.9946 15.0031 15.8855 15.8910 15.9583 15.9645 k = 0.2205 0.3819-0.0000 ( 1743 PWs) bands (ev): -10.2353 -10.2334 -9.9057 -9.9001 1.4752 1.4871 1.5016 1.6093 1.8669 1.8869 1.9805 2.0039 2.2408 2.3204 2.3848 2.4036 2.5964 2.6863 2.7855 2.9229 2.9573 3.0998 3.2945 3.3139 3.4021 3.5331 4.3777 4.3903 4.4861 4.4951 4.8002 4.8415 6.1536 6.2038 6.2753 6.3180 12.4136 12.4228 14.9896 14.9981 15.8796 15.8844 16.0051 16.0122 k = 0.2154 0.3731-0.0000 ( 1747 PWs) bands (ev): -10.2529 -10.2510 -9.9077 -9.9021 1.4582 1.4685 1.5023 1.6114 1.8587 1.8782 1.9708 1.9920 2.2285 2.3115 2.3691 2.3879 2.6006 2.6839 2.7814 2.9210 2.9580 3.0937 3.2814 3.3029 3.4122 3.5514 4.4098 4.4436 4.4811 4.5119 4.8722 4.9151 6.1953 6.2453 6.3142 6.3562 12.2864 12.2955 14.9827 14.9912 15.8668 15.8705 16.0550 16.0627 k = 0.2103 0.3642-0.0000 ( 1747 PWs) bands (ev): -10.2707 -10.2689 -9.9101 -9.9044 1.4421 1.4515 1.5038 1.6138 1.8505 1.8700 1.9609 1.9795 2.2158 2.3015 2.3535 2.3728 2.6051 2.6818 2.7771 2.9181 2.9588 3.0872 3.2696 3.2930 3.4185 3.5647 4.4335 4.4756 4.5055 4.5450 4.9447 4.9888 6.2370 6.2869 6.3527 6.3939 12.1596 12.1686 14.9735 14.9818 15.8476 15.8500 16.1077 16.1160 k = 0.2051 0.3553-0.0000 ( 1751 PWs) bands (ev): -10.2888 -10.2872 -9.9128 -9.9071 1.4274 1.4362 1.5057 1.6161 1.8421 1.8620 1.9506 1.9664 2.2026 2.2902 2.3379 2.3582 2.6096 2.6801 2.7726 2.9142 2.9595 3.0805 3.2592 3.2843 3.4207 3.5726 4.4547 4.4864 4.5596 4.5889 5.0173 5.0623 6.2787 6.3284 6.3906 6.4308 12.0332 12.0422 14.9613 14.9693 15.8228 15.8238 16.1634 16.1722 k = 0.2000 0.3464-0.0000 ( 1751 PWs) bands (ev): -10.3072 -10.3056 -9.9160 -9.9102 1.4143 1.4226 1.5079 1.6186 1.8338 1.8544 1.9403 1.9531 2.1891 2.2773 2.3222 2.3441 2.6144 2.6788 2.7680 2.9093 2.9601 3.0736 3.2500 3.2771 3.4188 3.5752 4.4784 4.5034 4.6162 4.6384 5.0898 5.1355 6.3202 6.3697 6.4279 6.4671 11.9074 11.9163 14.9454 14.9529 15.7930 15.7935 16.2222 16.2315 k = 0.1949 0.3375-0.0000 ( 1751 PWs) bands (ev): -10.3257 -10.3242 -9.9195 -9.9137 1.4027 1.4106 1.5104 1.6212 1.8253 1.8470 1.9299 1.9397 2.1751 2.2630 2.3061 2.3302 2.6192 2.6778 2.7634 2.9038 2.9605 3.0665 3.2421 3.2714 3.4133 3.5731 4.5066 4.5275 4.6740 4.6912 5.1619 5.2082 6.3615 6.4109 6.4646 6.5027 11.7822 11.7910 14.9249 14.9319 15.7591 15.7609 16.2840 16.2939 k = 0.1897 0.3286-0.0000 ( 1751 PWs) bands (ev): -10.3445 -10.3430 -9.9233 -9.9176 1.3927 1.4003 1.5130 1.6237 1.8167 1.8397 1.9194 1.9264 2.1609 2.2475 2.2896 2.3163 2.6243 2.6772 2.7588 2.8977 2.9607 3.0594 3.2353 3.2670 3.4046 3.5666 4.5400 4.5584 4.7326 4.7461 5.2335 5.2800 6.4025 6.4518 6.5006 6.5375 11.6577 11.6663 14.8991 14.9051 15.7238 15.7267 16.3490 16.3594 k = 0.1846 0.3198-0.0000 ( 1751 PWs) bands (ev): -10.3633 -10.3620 -9.9275 -9.9217 1.3842 1.3917 1.5158 1.6263 1.8081 1.8326 1.9090 1.9132 2.1463 2.2309 2.2725 2.3020 2.6294 2.6771 2.7544 2.8911 2.9607 3.0524 3.2296 3.2639 3.3932 3.5567 4.5785 4.5956 4.7922 4.8027 5.3043 5.3510 6.4430 6.4923 6.5361 6.5716 11.5339 11.5424 14.8670 14.8720 15.6886 15.6923 16.4173 16.4282 k = 0.1795 0.3109-0.0000 ( 1751 PWs) bands (ev): -10.3822 -10.3810 -9.9319 -9.9262 1.3772 1.3847 1.5187 1.6288 1.7993 1.8254 1.8987 1.9003 2.1315 2.2136 2.2547 2.2870 2.6347 2.6773 2.7503 2.8844 2.9605 3.0454 3.2246 3.2620 3.3797 3.5439 4.6218 4.6383 4.8528 4.8607 5.3741 5.4208 6.4830 6.5324 6.5709 6.6048 11.4109 11.4192 14.8280 14.8316 15.6552 15.6592 16.4890 16.5004 k = 0.1744 0.3020-0.0000 ( 1745 PWs) bands (ev): -10.4012 -10.4001 -9.9367 -9.9310 1.3717 1.3792 1.5218 1.6313 1.7905 1.8183 1.8878 1.8885 2.1168 2.1960 2.2361 2.2711 2.6401 2.6781 2.7465 2.8775 2.9601 3.0386 3.2204 3.2613 3.3648 3.5292 4.6694 4.6858 4.9142 4.9201 5.4429 5.4894 6.5224 6.5720 6.6052 6.6373 11.2888 11.2969 14.7816 14.7836 15.6246 15.6287 16.5641 16.5759 k = 0.1692 0.2931-0.0000 ( 1751 PWs) bands (ev): -10.4202 -10.4191 -9.9416 -9.9360 1.3676 1.3751 1.5248 1.6337 1.7817 1.8110 1.8758 1.8785 2.1017 2.1778 2.2167 2.2540 2.6456 2.6792 2.7430 2.8707 2.9594 3.0320 3.2166 3.2614 3.3487 3.5131 4.7207 4.7374 4.9766 4.9806 5.5103 5.5566 6.5611 6.6109 6.6388 6.6689 11.1675 11.1754 14.7276 14.7279 15.5976 15.6016 16.6426 16.6549 k = 0.1641 0.2842-0.0000 ( 1755 PWs) bands (ev): -10.4392 -10.4382 -9.9469 -9.9412 1.3648 1.3725 1.5279 1.6361 1.7729 1.8038 1.8644 1.8686 2.0865 2.1594 2.1965 2.2357 2.6511 2.6807 2.7400 2.8639 2.9584 3.0255 3.2132 3.2622 3.3322 3.4963 4.7755 4.7925 5.0398 5.0422 5.5764 5.6223 6.5989 6.6492 6.6718 6.6997 11.0471 11.0548 14.6648 14.6662 15.5748 15.5784 16.7247 16.7374 k = 0.1590 0.2754-0.0000 ( 1753 PWs) bands (ev): -10.4581 -10.4572 -9.9523 -9.9467 1.3634 1.3713 1.5310 1.6384 1.7643 1.7965 1.8537 1.8589 2.0715 2.1410 2.1754 2.2163 2.6568 2.6827 2.7376 2.8576 2.9573 3.0193 3.2101 3.2634 3.3156 3.4793 4.8333 4.8508 5.1040 5.1049 5.6409 5.6864 6.6358 6.6868 6.7042 6.7296 10.9277 10.9352 14.5950 14.5981 15.5559 15.5590 16.8104 16.8235 k = 0.1538 0.2665-0.0000 ( 1757 PWs) bands (ev): -10.4769 -10.4760 -9.9579 -9.9524 1.3633 1.3714 1.5341 1.6405 1.7557 1.7890 1.8436 1.8495 2.0566 2.1226 2.1536 2.1956 2.6625 2.6851 2.7356 2.8515 2.9559 3.0133 3.2069 3.2645 3.2997 3.4623 4.8936 4.9116 5.1686 5.1689 5.7039 5.7489 6.6717 6.7236 6.7361 6.7587 10.8093 10.8165 14.5191 14.5239 15.5408 15.5434 16.8997 16.9132 k = 0.1487 0.2576-0.0000 ( 1761 PWs) bands (ev): -10.4955 -10.4947 -9.9636 -9.9582 1.3643 1.3726 1.5370 1.6424 1.7473 1.7815 1.8341 1.8401 2.0418 2.1044 2.1311 2.1739 2.6683 2.6878 2.7342 2.8459 2.9542 3.0074 3.2036 3.2636 3.2865 3.4461 4.9562 4.9746 5.2331 5.2347 5.7652 5.8096 6.7064 6.7595 6.7676 6.7870 10.6919 10.6989 14.4382 14.4445 15.5291 15.5310 16.9925 17.0063 k = 0.1436 0.2487-0.0000 ( 1763 PWs) bands (ev): -10.5139 -10.5132 -9.9695 -9.9642 1.3664 1.3750 1.5399 1.6440 1.7393 1.7740 1.8254 1.8310 2.0273 2.0863 2.1081 2.1513 2.6741 2.6908 2.7332 2.8406 2.9523 3.0018 3.2000 3.2561 3.2807 3.4308 5.0207 5.0395 5.2985 5.3012 5.8248 5.8685 6.7398 6.7945 6.7985 6.8144 10.5756 10.5823 14.3532 14.3609 15.5202 15.5216 17.0891 17.1032 k = 0.1385 0.2398-0.0000 ( 1759 PWs) bands (ev): -10.5321 -10.5315 -9.9755 -9.9702 1.3695 1.3784 1.5427 1.6455 1.7316 1.7666 1.8173 1.8221 2.0131 2.0685 2.0846 2.1280 2.6800 2.6942 2.7328 2.8359 2.9502 2.9964 3.1962 3.2432 3.2813 3.4166 5.0870 5.1061 5.3647 5.3684 5.8825 5.9256 6.7720 6.8283 6.8290 6.8412 10.4604 10.4668 14.2649 14.2737 15.5136 15.5146 17.1892 17.2036 k = 0.1333 0.2309-0.0000 ( 1755 PWs) bands (ev): -10.5501 -10.5495 -9.9816 -9.9764 1.3737 1.3828 1.5453 1.6465 1.7243 1.7593 1.8099 1.8133 1.9992 2.0510 2.0608 2.1041 2.6859 2.6979 2.7329 2.8317 2.9479 2.9911 3.1918 3.2291 3.2840 3.4038 5.1546 5.1739 5.4316 5.4362 5.9385 5.9808 6.8028 6.8591 6.8604 6.8678 10.3463 10.3524 14.1741 14.1840 15.5090 15.5096 17.2929 17.3075 k = 0.1282 0.2221-0.0000 ( 1757 PWs) bands (ev): -10.5677 -10.5672 -9.9877 -9.9826 1.3785 1.3880 1.5476 1.6472 1.7176 1.7522 1.8029 1.8047 1.9858 2.0337 2.0367 2.0799 2.6917 2.7018 2.7333 2.8278 2.9452 2.9859 3.1868 3.2151 3.2874 3.3924 5.2233 5.2427 5.4991 5.5044 5.9927 6.0342 6.8322 6.8885 6.8886 6.8964 10.2333 10.2392 14.0815 14.0922 15.5059 15.5061 17.4002 17.4149 k = 0.1231 0.2132-0.0000 ( 1753 PWs) bands (ev): -10.5850 -10.5845 -9.9938 -9.9888 1.3841 1.3940 1.5498 1.6473 1.7114 1.7453 1.7963 1.7963 1.9728 2.0126 2.0168 2.0556 2.6976 2.7060 2.7343 2.8244 2.9422 2.9807 3.1813 3.2018 3.2911 3.3825 5.2929 5.3123 5.5670 5.5731 6.0452 6.0858 6.8602 6.9131 6.9176 6.9265 10.1215 10.1271 13.9878 13.9992 15.5040 15.5041 17.5109 17.5257 k = 0.1179 0.2043-0.0000 ( 1753 PWs) bands (ev): -10.6019 -10.6014 -9.9999 -9.9951 1.3904 1.4005 1.5516 1.6468 1.7059 1.7388 1.7880 1.7902 1.9604 1.9886 1.9998 2.0317 2.7034 2.7103 2.7356 2.8213 2.9390 2.9755 3.1752 3.1892 3.2949 3.3741 5.3632 5.3824 5.6352 5.6421 6.0959 6.1356 6.8869 6.9362 6.9459 6.9562 10.0108 10.0162 13.8935 13.9054 15.5028 15.5032 17.6250 17.6399 k = 0.1128 0.1954-0.0000 ( 1749 PWs) bands (ev): -10.6183 -10.6180 -10.0059 -10.0013 1.3973 1.4076 1.5532 1.6456 1.7011 1.7326 1.7799 1.7844 1.9485 1.9649 1.9825 2.0089 2.7092 2.7147 2.7372 2.8186 2.9356 2.9704 3.1687 3.1774 3.2988 3.3672 5.4338 5.4529 5.7035 5.7111 6.1451 6.1838 6.9122 6.9581 6.9735 6.9848 9.9014 9.9065 13.7991 13.8115 15.5025 15.5030 17.7424 17.7572 k = 0.1077 0.1865-0.0000 ( 1747 PWs) bands (ev): -10.6343 -10.6340 -10.0119 -10.0074 1.4045 1.4151 1.5544 1.6438 1.6971 1.7267 1.7719 1.7789 1.9360 1.9427 1.9640 1.9881 2.7149 2.7193 2.7391 2.8162 2.9319 2.9652 3.1619 3.1666 3.3027 3.3616 5.5045 5.5233 5.7717 5.7799 6.1929 6.2306 6.9364 6.9791 7.0003 7.0123 9.7932 9.7980 13.7050 13.7177 15.5027 15.5034 17.8630 17.8776 k = 0.1026 0.1776-0.0000 ( 1751 PWs) bands (ev): -10.6499 -10.6496 -10.0179 -10.0135 1.4122 1.4229 1.5554 1.6414 1.6937 1.7212 1.7642 1.7736 1.9167 1.9285 1.9436 1.9703 2.7205 2.7240 2.7412 2.8140 2.9280 2.9600 3.1547 3.1563 3.3064 3.3570 5.5751 5.5935 5.8395 5.8482 6.2396 6.2761 6.9593 6.9990 7.0261 7.0386 9.6863 9.6908 13.6118 13.6247 15.5033 15.5041 17.9864 18.0008 k = 0.0974 0.1688-0.0000 ( 1755 PWs) bands (ev): -10.6648 -10.6646 -10.0237 -10.0195 1.4200 1.4308 1.5561 1.6383 1.6909 1.7160 1.7566 1.7685 1.8945 1.9185 1.9219 1.9551 2.7260 2.7286 2.7435 2.8121 2.9238 2.9547 3.1470 3.1476 3.3101 3.3535 5.6453 5.6633 5.9066 5.9157 6.2854 6.3208 6.9811 7.0181 7.0508 7.0636 9.5806 9.5849 13.5197 13.5327 15.5043 15.5051 18.1126 18.1267 k = 0.0923 0.1599-0.0000 ( 1751 PWs) bands (ev): -10.6793 -10.6790 -10.0293 -10.0253 1.4281 1.4389 1.5565 1.6350 1.6886 1.7112 1.7493 1.7637 1.8728 1.8997 1.9095 1.9419 2.7315 2.7335 2.7461 2.8104 2.9196 2.9494 3.1385 3.1405 3.3137 3.3509 5.7148 5.7323 5.9724 5.9818 6.3310 6.3650 7.0018 7.0361 7.0745 7.0874 9.4763 9.4802 13.4293 13.4423 15.5055 15.5064 18.2413 18.2549 k = 0.0872 0.1510-0.0000 ( 1751 PWs) bands (ev): -10.6931 -10.6929 -10.0348 -10.0310 1.4362 1.4469 1.5567 1.6313 1.6866 1.7067 1.7423 1.7590 1.8517 1.8778 1.9014 1.9300 2.7366 2.7382 2.7488 2.8088 2.9154 2.9440 3.1309 3.1337 3.3172 3.3491 5.7834 5.8003 6.0364 6.0458 6.3769 6.4093 7.0214 7.0532 7.0971 7.1098 9.3733 9.3769 13.3408 13.3537 15.5068 15.5077 18.3721 18.3851 k = 0.0821 0.1421-0.0000 ( 1755 PWs) bands (ev): -10.7063 -10.7061 -10.0401 -10.0365 1.4442 1.4547 1.5566 1.6275 1.6849 1.7025 1.7355 1.7543 1.8315 1.8565 1.8940 1.9193 2.7415 2.7430 2.7517 2.8073 2.9109 2.9386 3.1239 3.1271 3.3205 3.3478 5.8507 5.8669 6.0978 6.1070 6.4239 6.4543 7.0399 7.0693 7.1184 7.1310 9.2716 9.2750 13.2546 13.2673 15.5082 15.5091 18.5048 18.5170 k = 0.0769 0.1332-0.0000 ( 1759 PWs) bands (ev): -10.7188 -10.7187 -10.0452 -10.0418 1.4521 1.4622 1.5565 1.6237 1.6832 1.6986 1.7292 1.7498 1.8123 1.8360 1.8874 1.9096 2.7460 2.7477 2.7550 2.8060 2.9065 2.9330 3.1175 3.1208 3.3236 3.3469 5.9165 5.9318 6.1558 6.1643 6.4729 6.5010 7.0573 7.0844 7.1386 7.1508 9.1714 9.1745 13.1711 13.1835 15.5095 15.5105 18.6387 18.6501 k = 0.0718 0.1244-0.0000 ( 1755 PWs) bands (ev): -10.7307 -10.7306 -10.0501 -10.0468 1.4599 1.4695 1.5562 1.6199 1.6816 1.6950 1.7233 1.7453 1.7941 1.8166 1.8815 1.9010 2.7503 2.7525 2.7585 2.8048 2.9021 2.9275 3.1119 3.1150 3.3266 3.3465 5.9803 5.9948 6.2097 6.2172 6.5246 6.5499 7.0737 7.0985 7.1575 7.1692 9.0727 9.0755 13.0906 13.1028 15.5109 15.5118 18.7736 18.7839 k = 0.0667 0.1155-0.0000 ( 1759 PWs) bands (ev): -10.7419 -10.7418 -10.0547 -10.0516 1.4674 1.4762 1.5559 1.6162 1.6801 1.6916 1.7179 1.7408 1.7771 1.7984 1.8763 1.8933 2.7541 2.7572 2.7624 2.8036 2.8977 2.9219 3.1067 3.1095 3.3292 3.3462 6.0419 6.0555 6.2586 6.2647 6.5796 6.6019 7.0890 7.1115 7.1751 7.1863 8.9756 8.9781 13.0136 13.0253 15.5122 15.5130 18.9087 18.9178 k = 0.0615 0.1066-0.0000 ( 1759 PWs) bands (ev): -10.7523 -10.7522 -10.0590 -10.0562 1.4744 1.4823 1.5557 1.6127 1.6785 1.6884 1.7130 1.7361 1.7614 1.7817 1.8718 1.8865 2.7575 2.7618 2.7664 2.8025 2.8934 2.9163 3.1021 3.1046 3.3318 3.3462 6.1010 6.1135 6.3021 6.3068 6.6381 6.6573 7.1032 7.1236 7.1914 7.2020 8.8801 8.8824 12.9404 12.9516 15.5134 15.5142 19.0433 19.0509 k = 0.0564 0.0977-0.0000 ( 1759 PWs) bands (ev): -10.7620 -10.7620 -10.0631 -10.0605 1.4808 1.4877 1.5556 1.6093 1.6769 1.6854 1.7087 1.7312 1.7470 1.7668 1.8679 1.8805 2.7606 2.7663 2.7705 2.8015 2.8893 2.9108 3.0981 3.1001 3.3342 3.3464 6.1570 6.1685 6.3403 6.3436 6.6999 6.7158 7.1165 7.1347 7.2064 7.2163 8.7865 8.7885 12.8713 12.8819 15.5145 15.5153 19.1765 19.1825 k = 0.0513 0.0888-0.0000 ( 1767 PWs) bands (ev): -10.7709 -10.7709 -10.0668 -10.0644 1.4866 1.4924 1.5555 1.6059 1.6752 1.6825 1.7050 1.7255 1.7340 1.7539 1.8645 1.8752 2.7634 2.7705 2.7744 2.8003 2.8853 2.9054 3.0944 3.0960 3.3363 3.3466 6.2097 6.2199 6.3733 6.3755 6.7642 6.7772 7.1286 7.1448 7.2201 7.2293 8.6950 8.6966 12.8067 12.8166 15.5155 15.5163 19.3072 19.3115 k = 0.0462 0.0799-0.0000 ( 1767 PWs) bands (ev): -10.7791 -10.7790 -10.0703 -10.0681 1.4918 1.4963 1.5559 1.6027 1.6736 1.6799 1.7017 1.7188 1.7227 1.7436 1.8616 1.8707 2.7662 2.7747 2.7784 2.7992 2.8816 2.9001 3.0912 3.0924 3.3383 3.3470 6.2585 6.2675 6.4018 6.4032 6.8303 6.8406 7.1398 7.1538 7.2325 7.2409 8.6057 8.6070 12.7470 12.7562 15.5165 15.5171 19.4343 19.4366 k = 0.0410 0.0711-0.0000 ( 1767 PWs) bands (ev): -10.7864 -10.7864 -10.0734 -10.0714 1.4962 1.4996 1.5566 1.5996 1.6721 1.6775 1.6984 1.7109 1.7135 1.7360 1.8593 1.8669 2.7688 2.7786 2.7821 2.7982 2.8781 2.8950 3.0884 3.0893 3.3401 3.3473 6.3032 6.3108 6.4263 6.4272 6.8974 6.9052 7.1500 7.1618 7.2436 7.2511 8.5191 8.5202 12.6925 12.7009 15.5173 15.5179 19.5560 19.5564 k = 0.0359 0.0622-0.0000 ( 1771 PWs) bands (ev): -10.7929 -10.7929 -10.0761 -10.0744 1.4997 1.5021 1.5577 1.5965 1.6706 1.6753 1.6942 1.7027 1.7073 1.7304 1.8573 1.8636 2.7712 2.7823 2.7856 2.7972 2.8749 2.8900 3.0860 3.0866 3.3417 3.3476 6.3432 6.3493 6.4474 6.4483 6.9643 6.9698 7.1593 7.1687 7.2535 7.2601 8.4358 8.4365 12.6436 12.6511 15.5180 15.5185 19.6689 19.6705 k = 0.0308 0.0533-0.0000 ( 1769 PWs) bands (ev): -10.7985 -10.7985 -10.0785 -10.0770 1.5025 1.5040 1.5593 1.5935 1.6693 1.6734 1.6889 1.6947 1.7042 1.7260 1.8557 1.8608 2.7737 2.7856 2.7888 2.7963 2.8722 2.8854 3.0840 3.0844 3.3432 3.3480 6.3779 6.3826 6.4658 6.4668 7.0300 7.0329 7.1679 7.1746 7.2622 7.2678 8.3565 8.3570 12.6006 12.6071 15.5186 15.5191 19.7718 19.7754 k = 0.0256 0.0444-0.0000 ( 1769 PWs) bands (ev): -10.8034 -10.8033 -10.0805 -10.0793 1.5046 1.5054 1.5613 1.5905 1.6682 1.6717 1.6834 1.6876 1.7032 1.7223 1.8545 1.8586 2.7760 2.7882 2.7917 2.7956 2.8698 2.8811 3.0822 3.0825 3.3444 3.3482 6.4070 6.4101 6.4818 6.4831 7.0925 7.0929 7.1764 7.1794 7.2698 7.2743 8.2823 8.2826 12.5637 12.5692 15.5191 15.5195 19.8624 19.8674 k = 0.0205 0.0355-0.0000 ( 1773 PWs) bands (ev): -10.8073 -10.8073 -10.0821 -10.0811 1.5059 1.5064 1.5636 1.5874 1.6672 1.6703 1.6787 1.6815 1.7032 1.7191 1.8535 1.8567 2.7781 2.7895 2.7941 2.7957 2.8680 2.8771 3.0808 3.0809 3.3454 3.3484 6.4301 6.4319 6.4958 6.4974 7.1435 7.1511 7.1832 7.1877 7.2766 7.2798 8.2150 8.2150 12.5332 12.5377 15.5195 15.5198 19.9371 19.9429 k = 0.0154 0.0266-0.0000 ( 1773 PWs) bands (ev): -10.8104 -10.8104 -10.0834 -10.0826 1.5069 1.5070 1.5663 1.5843 1.6666 1.6692 1.6749 1.6766 1.7040 1.7162 1.8529 1.8552 2.7802 2.7894 2.7961 2.7966 2.8667 2.8737 3.0797 3.0797 3.3463 3.3485 6.4472 6.4480 6.5077 6.5095 7.1716 7.1858 7.2018 7.2131 7.2829 7.2847 8.1566 8.1568 12.5094 12.5128 15.5199 15.5201 19.9924 19.9979 k = 0.0103 0.0178-0.0000 ( 1777 PWs) bands (ev): -10.8126 -10.8126 -10.0842 -10.0837 1.5074 1.5074 1.5691 1.5812 1.6662 1.6683 1.6722 1.6730 1.7053 1.7135 1.8525 1.8540 2.7821 2.7885 2.7976 2.7977 2.8660 2.8708 3.0789 3.0789 3.3470 3.3484 6.4586 6.4589 6.5172 6.5186 7.1807 7.1874 7.2406 7.2443 7.2899 7.2900 8.1107 8.1109 12.4925 12.4947 15.5201 15.5203 20.0273 20.0313 k = 0.0051 0.0089-0.0000 ( 1777 PWs) bands (ev): -10.8139 -10.8139 -10.0847 -10.0845 1.5077 1.5077 1.5720 1.5781 1.6663 1.6676 1.6706 1.6707 1.7070 1.7111 1.8525 1.8532 2.7839 2.7872 2.7986 2.7986 2.8661 2.8685 3.0784 3.0784 3.3476 3.3483 6.4651 6.4652 6.5234 6.5242 7.1848 7.1878 7.2623 7.2628 7.2972 7.2981 8.0809 8.0811 12.4825 12.4836 15.5203 15.5204 20.0452 20.0473 k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -10.8144 -10.8144 -10.0848 -10.0848 1.5077 1.5077 1.5750 1.5750 1.6668 1.6668 1.6699 1.6699 1.7088 1.7088 1.8526 1.8526 2.7856 2.7856 2.7988 2.7988 2.8669 2.8669 3.0783 3.0783 3.3480 3.3480 6.4672 6.4672 6.5258 6.5258 7.1870 7.1870 7.2681 7.2681 7.3020 7.3020 8.0706 8.0706 12.4795 12.4795 15.5204 15.5204 20.0512 20.0512 k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -10.8144 -10.8144 -10.0848 -10.0848 1.5077 1.5077 1.5750 1.5750 1.6668 1.6668 1.6699 1.6699 1.7088 1.7088 1.8526 1.8526 2.7856 2.7856 2.7988 2.7988 2.8669 2.8669 3.0783 3.0783 3.3480 3.3480 6.4672 6.4672 6.5258 6.5258 7.1870 7.1870 7.2681 7.2681 7.3020 7.3020 8.0706 8.0706 12.4795 12.4795 15.5204 15.5204 20.0512 20.0512 k = 0.0000 0.0000 0.0101 ( 1785 PWs) bands (ev): -10.8139 -10.8139 -10.0853 -10.0853 1.5077 1.5077 1.5748 1.5748 1.6654 1.6654 1.6697 1.6697 1.7085 1.7085 1.8523 1.8523 2.7857 2.7857 2.7990 2.7990 2.8675 2.8675 3.0781 3.0781 3.3506 3.3506 6.4678 6.4678 6.5263 6.5263 7.1783 7.1783 7.2676 7.2676 7.3013 7.3013 8.0804 8.0804 12.4773 12.4773 15.5223 15.5223 20.0511 20.0511 k = 0.0000 0.0000 0.0201 ( 1773 PWs) bands (ev): -10.8126 -10.8126 -10.0868 -10.0868 1.5080 1.5080 1.5745 1.5745 1.6612 1.6612 1.6694 1.6694 1.7077 1.7077 1.8519 1.8519 2.7863 2.7863 2.7998 2.7998 2.8693 2.8693 3.0778 3.0778 3.3586 3.3586 6.4694 6.4694 6.5278 6.5278 7.1533 7.1533 7.2661 7.2661 7.2996 7.2996 8.1085 8.1085 12.4707 12.4707 15.5281 15.5281 20.0509 20.0509 k = 0.0000 0.0000 0.0302 ( 1773 PWs) bands (ev): -10.8104 -10.8104 -10.0892 -10.0892 1.5082 1.5082 1.5737 1.5737 1.6544 1.6544 1.6686 1.6686 1.7062 1.7062 1.8508 1.8508 2.7871 2.7871 2.8009 2.8009 2.8719 2.8719 3.0771 3.0771 3.3719 3.3719 6.4720 6.4720 6.5303 6.5303 7.1144 7.1144 7.2637 7.2637 7.2968 7.2968 8.1524 8.1524 12.4597 12.4597 15.5377 15.5377 20.0505 20.0505 k = 0.0000 0.0000 0.0403 ( 1773 PWs) bands (ev): -10.8073 -10.8073 -10.0927 -10.0927 1.5085 1.5085 1.5726 1.5726 1.6451 1.6451 1.6674 1.6674 1.7042 1.7042 1.8492 1.8492 2.7882 2.7882 2.8025 2.8025 2.8754 2.8754 3.0761 3.0761 3.3905 3.3905 6.4757 6.4757 6.5338 6.5338 7.0648 7.0648 7.2602 7.2602 7.2931 7.2931 8.2087 8.2087 12.4443 12.4443 15.5512 15.5512 20.0500 20.0500 k = 0.0000 0.0000 0.0503 ( 1767 PWs) bands (ev): -10.8033 -10.8033 -10.0971 -10.0971 1.5090 1.5090 1.5712 1.5712 1.6337 1.6337 1.6660 1.6660 1.7017 1.7017 1.8472 1.8472 2.7896 2.7896 2.8045 2.8045 2.8794 2.8794 3.0750 3.0750 3.4144 3.4144 6.4805 6.4805 6.5383 6.5383 7.0073 7.0073 7.2558 7.2558 7.2886 7.2886 8.2746 8.2746 12.4247 12.4247 15.5686 15.5686 20.0493 20.0493 k = 0.0000 0.0000 0.0604 ( 1755 PWs) bands (ev): -10.7985 -10.7985 -10.1024 -10.1024 1.5096 1.5096 1.5693 1.5693 1.6205 1.6205 1.6643 1.6643 1.6989 1.6989 1.8448 1.8448 2.7915 2.7915 2.8071 2.8071 2.8837 2.8837 3.0736 3.0736 3.4433 3.4433 6.4863 6.4863 6.5438 6.5438 6.9443 6.9443 7.2504 7.2504 7.2832 7.2832 8.3477 8.3477 12.4008 12.4008 15.5897 15.5897 20.0485 20.0485 k = 0.0000 0.0000 0.0705 ( 1755 PWs) bands (ev): -10.7928 -10.7928 -10.1087 -10.1087 1.5103 1.5103 1.5669 1.5669 1.6058 1.6058 1.6622 1.6622 1.6957 1.6957 1.8420 1.8420 2.7935 2.7935 2.8100 2.8100 2.8879 2.8879 3.0719 3.0719 3.4771 3.4771 6.4931 6.4931 6.5501 6.5501 6.8773 6.8773 7.2441 7.2441 7.2768 7.2768 8.4264 8.4264 12.3728 12.3728 15.6147 15.6147 20.0474 20.0474 k = 0.0000 0.0000 0.0805 ( 1755 PWs) bands (ev): -10.7863 -10.7863 -10.1159 -10.1159 1.5111 1.5111 1.5639 1.5639 1.5900 1.5900 1.6599 1.6599 1.6924 1.6924 1.8388 1.8388 2.7957 2.7957 2.8132 2.8132 2.8921 2.8921 3.0699 3.0699 3.5155 3.5155 6.5009 6.5009 6.5575 6.5575 6.8076 6.8076 7.2369 7.2369 7.2696 7.2696 8.5094 8.5094 12.3407 12.3407 15.6435 15.6435 20.0458 20.0458 k = 0.0000 0.0000 0.0906 ( 1755 PWs) bands (ev): -10.7790 -10.7790 -10.1240 -10.1240 1.5119 1.5119 1.5603 1.5603 1.5733 1.5733 1.6572 1.6572 1.6891 1.6891 1.8352 1.8352 2.7982 2.7982 2.8168 2.8168 2.8959 2.8959 3.0676 3.0676 3.5584 3.5584 6.5096 6.5096 6.5657 6.5657 6.7359 6.7359 7.2287 7.2287 7.2615 7.2615 8.5957 8.5957 12.3046 12.3046 15.6761 15.6761 20.0434 20.0434 k = 0.0000 0.0000 0.1007 ( 1755 PWs) bands (ev): -10.7708 -10.7708 -10.1330 -10.1330 1.5129 1.5129 1.5560 1.5560 1.5563 1.5563 1.6544 1.6544 1.6860 1.6860 1.8313 1.8313 2.8010 2.8010 2.8208 2.8208 2.8994 2.8994 3.0650 3.0650 3.6053 3.6053 6.5193 6.5193 6.5749 6.5749 6.6630 6.6630 7.2196 7.2196 7.2525 7.2525 8.6849 8.6849 12.2646 12.2646 15.7126 15.7126 20.0391 20.0391 k = 0.0000 0.0000 0.1108 ( 1755 PWs) bands (ev): -10.7619 -10.7619 -10.1428 -10.1428 1.5140 1.5140 1.5390 1.5390 1.5509 1.5509 1.6512 1.6512 1.6830 1.6830 1.8270 1.8270 2.8040 2.8040 2.8252 2.8252 2.9025 2.9025 3.0622 3.0622 3.6560 3.6560 6.5300 6.5300 6.5849 6.5849 6.5890 6.5890 7.2097 7.2097 7.2426 7.2426 8.7762 8.7762 12.2208 12.2208 15.7528 15.7528 20.0299 20.0299 k = 0.0000 0.0000 0.1208 ( 1749 PWs) bands (ev): -10.7522 -10.7522 -10.1535 -10.1535 1.5153 1.5153 1.5219 1.5219 1.5450 1.5450 1.6479 1.6479 1.6804 1.6804 1.8225 1.8225 2.8072 2.8072 2.8299 2.8299 2.9052 2.9052 3.0593 3.0593 3.7104 3.7104 6.5145 6.5145 6.5415 6.5415 6.5958 6.5958 7.1989 7.1989 7.2319 7.2319 8.8694 8.8694 12.1734 12.1734 15.7969 15.7969 20.0065 20.0065 k = 0.0000 0.0000 0.1309 ( 1749 PWs) bands (ev): -10.7417 -10.7417 -10.1649 -10.1649 1.5050 1.5050 1.5167 1.5167 1.5383 1.5383 1.6443 1.6443 1.6782 1.6782 1.8177 1.8177 2.8107 2.8107 2.8349 2.8349 2.9074 2.9074 3.0559 3.0559 3.7677 3.7677 6.4395 6.4395 6.5539 6.5539 6.6075 6.6075 7.1872 7.1872 7.2204 7.2204 8.9642 8.9642 12.1224 12.1224 15.8448 15.8448 19.9439 19.9439 k = 0.0000 0.0000 0.1410 ( 1761 PWs) bands (ev): -10.7305 -10.7305 -10.1771 -10.1771 1.4887 1.4887 1.5181 1.5181 1.5308 1.5308 1.6406 1.6406 1.6765 1.6765 1.8126 1.8126 2.8142 2.8142 2.8401 2.8401 2.9089 2.9089 3.0520 3.0520 3.8278 3.8278 6.3641 6.3641 6.5670 6.5670 6.6199 6.6199 7.1748 7.1748 7.2081 7.2081 9.0602 9.0602 12.0679 12.0679 15.8964 15.8964 19.8281 19.8281 k = 0.0000 0.0000 0.1510 ( 1761 PWs) bands (ev): -10.7187 -10.7187 -10.1900 -10.1900 1.4731 1.4731 1.5197 1.5197 1.5227 1.5227 1.6366 1.6366 1.6753 1.6753 1.8073 1.8073 2.8180 2.8180 2.8457 2.8457 2.9102 2.9102 3.0481 3.0481 3.8904 3.8904 6.2886 6.2886 6.5810 6.5810 6.6332 6.6332 7.1616 7.1616 7.1951 7.1951 9.1573 9.1573 12.0102 12.0102 15.9520 15.9520 19.6854 19.6854 k = 0.0000 0.0000 0.1611 ( 1755 PWs) bands (ev): -10.7061 -10.7061 -10.2036 -10.2036 1.4584 1.4584 1.5141 1.5141 1.5215 1.5215 1.6326 1.6326 1.6748 1.6748 1.8019 1.8019 2.8220 2.8220 2.8516 2.8516 2.9111 2.9111 3.0440 3.0440 3.9552 3.9552 6.2130 6.2130 6.5957 6.5957 6.6472 6.6472 7.1476 7.1476 7.1814 7.1814 9.2553 9.2553 11.9492 11.9492 16.0114 16.0114 19.5333 19.5333 k = 0.0000 0.0000 0.1712 ( 1756 PWs) bands (ev): -10.6929 -10.6929 -10.2178 -10.2178 1.4446 1.4446 1.5048 1.5048 1.5235 1.5235 1.6284 1.6284 1.6747 1.6747 1.7963 1.7963 2.8260 2.8260 2.8577 2.8577 2.9116 2.9116 3.0396 3.0396 4.0220 4.0220 6.1371 6.1371 6.6112 6.6112 6.6618 6.6618 7.1330 7.1330 7.1669 7.1669 9.3541 9.3541 11.8852 11.8852 16.0747 16.0747 19.3778 19.3778 k = 0.0000 0.0000 0.1812 ( 1756 PWs) bands (ev): -10.6791 -10.6791 -10.2326 -10.2326 1.4320 1.4320 1.4950 1.4950 1.5256 1.5256 1.6241 1.6241 1.6751 1.6751 1.7905 1.7905 2.8302 2.8302 2.8641 2.8641 2.9118 2.9118 3.0350 3.0350 4.0906 4.0906 6.0612 6.0612 6.6273 6.6273 6.6772 6.6772 7.1176 7.1176 7.1519 7.1519 9.4534 9.4534 11.8182 11.8182 16.1419 16.1419 19.2213 19.2213 k = 0.0000 0.0000 0.1913 ( 1756 PWs) bands (ev): -10.6647 -10.6647 -10.2480 -10.2480 1.4205 1.4205 1.4850 1.4850 1.5278 1.5278 1.6197 1.6197 1.6761 1.6761 1.7847 1.7847 2.8345 2.8345 2.8706 2.8706 2.9115 2.9115 3.0301 3.0301 4.1607 4.1607 5.9851 5.9851 6.6440 6.6440 6.6931 6.6931 7.1016 7.1016 7.1362 7.1362 9.5531 9.5531 11.7484 11.7484 16.2130 16.2130 19.0651 19.0651 k = 0.0000 0.0000 0.2014 ( 1756 PWs) bands (ev): -10.6497 -10.6497 -10.2639 -10.2639 1.4102 1.4102 1.4747 1.4747 1.5302 1.5302 1.6152 1.6152 1.6775 1.6775 1.7787 1.7787 2.8389 2.8389 2.8772 2.8772 2.9109 2.9109 3.0250 3.0250 4.2322 4.2322 5.9090 5.9090 6.6613 6.6613 6.7096 6.7096 7.0851 7.0851 7.1199 7.1199 9.6532 9.6532 11.6760 11.6760 16.2880 16.2880 18.9100 18.9100 k = 0.0000 0.0000 0.2114 ( 1756 PWs) bands (ev): -10.6342 -10.6342 -10.2803 -10.2803 1.4013 1.4013 1.4644 1.4644 1.5328 1.5328 1.6107 1.6107 1.6793 1.6793 1.7728 1.7728 2.8432 2.8432 2.8841 2.8841 2.9100 2.9100 3.0196 3.0196 4.3048 4.3048 5.8327 5.8327 6.6791 6.6791 6.7266 6.7266 7.0679 7.0679 7.1031 7.1031 9.7534 9.7534 11.6009 11.6009 16.3670 16.3670 18.7565 18.7565 k = 0.0000 0.0000 0.2215 ( 1756 PWs) bands (ev): -10.6183 -10.6183 -10.2971 -10.2971 1.3936 1.3936 1.4542 1.4542 1.5355 1.5355 1.6062 1.6062 1.6815 1.6815 1.7668 1.7668 2.8477 2.8477 2.8910 2.8910 2.9088 2.9088 3.0141 3.0141 4.3784 4.3784 5.7564 5.7564 6.6974 6.6974 6.7441 6.7441 7.0502 7.0502 7.0858 7.0858 9.8536 9.8536 11.5234 11.5234 16.4500 16.4500 18.6050 18.6050 k = 0.0000 0.0000 0.2316 ( 1756 PWs) bands (ev): -10.6018 -10.6018 -10.3142 -10.3142 1.3873 1.3873 1.4442 1.4442 1.5383 1.5383 1.6016 1.6016 1.6841 1.6841 1.7608 1.7608 2.8521 2.8521 2.8981 2.8981 2.9072 2.9072 3.0083 3.0083 4.4528 4.4528 5.6799 5.6799 6.7162 6.7162 6.7621 6.7621 7.0321 7.0321 7.0680 7.0680 9.9537 9.9537 11.4436 11.4436 16.5370 16.5370 18.4559 18.4559 k = 0.0000 0.0000 0.2416 ( 1756 PWs) bands (ev): -10.5850 -10.5850 -10.3318 -10.3318 1.3824 1.3824 1.4345 1.4345 1.5413 1.5413 1.5970 1.5970 1.6871 1.6871 1.7549 1.7549 2.8565 2.8565 2.9052 2.9052 2.9054 2.9054 3.0023 3.0023 4.5279 4.5279 5.6033 5.6033 6.7353 6.7353 6.7804 6.7804 7.0135 7.0135 7.0498 7.0498 10.0536 10.0536 11.3616 11.3616 16.6279 16.6279 18.3095 18.3095 k = 0.0000 0.0000 0.2517 ( 1762 PWs) bands (ev): -10.5679 -10.5679 -10.3496 -10.3496 1.3787 1.3787 1.4251 1.4251 1.5445 1.5445 1.5925 1.5925 1.6904 1.6904 1.7490 1.7490 2.8608 2.8608 2.9031 2.9031 2.9124 2.9124 2.9960 2.9960 4.6036 4.6036 5.5266 5.5266 6.7547 6.7547 6.7990 6.7990 6.9945 6.9945 7.0313 7.0313 10.1532 10.1532 11.2775 11.2775 16.7228 16.7228 18.1661 18.1661 k = 0.0000 0.0000 0.2618 ( 1750 PWs) bands (ev): -10.5504 -10.5504 -10.3676 -10.3676 1.3765 1.3765 1.4164 1.4164 1.5479 1.5479 1.5880 1.5880 1.6940 1.6940 1.7432 1.7432 2.8653 2.8653 2.9008 2.9008 2.9198 2.9198 2.9898 2.9898 4.6798 4.6798 5.4498 5.4498 6.7744 6.7744 6.8180 6.8180 6.9753 6.9753 7.0125 7.0125 10.2524 10.2524 11.1916 11.1916 16.8218 16.8218 18.0257 18.0257 k = 0.0000 0.0000 0.2718 ( 1756 PWs) bands (ev): -10.5326 -10.5326 -10.3858 -10.3858 1.3754 1.3754 1.4079 1.4079 1.5513 1.5513 1.5836 1.5836 1.6979 1.6979 1.7375 1.7375 2.8695 2.8695 2.8982 2.8982 2.9270 2.9270 2.9833 2.9833 4.7563 4.7563 5.3728 5.3728 6.7944 6.7944 6.8372 6.8372 6.9557 6.9557 6.9934 6.9934 10.3509 10.3509 11.1037 11.1037 16.9247 16.9247 17.8887 17.8887 k = 0.0000 0.0000 0.2819 ( 1762 PWs) bands (ev): -10.5146 -10.5146 -10.4042 -10.4042 1.3754 1.3754 1.4004 1.4004 1.5550 1.5550 1.5793 1.5793 1.7022 1.7022 1.7320 1.7320 2.8737 2.8737 2.8952 2.8952 2.9343 2.9343 2.9765 2.9765 4.8329 4.8329 5.2957 5.2957 6.8145 6.8145 6.8566 6.8566 6.9358 6.9358 6.9741 6.9741 10.4487 10.4487 11.0142 11.0142 17.0316 17.0316 17.7551 17.7551 k = 0.0000 0.0000 0.2920 ( 1762 PWs) bands (ev): -10.4964 -10.4964 -10.4226 -10.4226 1.3769 1.3769 1.3938 1.3938 1.5587 1.5587 1.5749 1.5749 1.7066 1.7066 1.7265 1.7265 2.8777 2.8777 2.8921 2.8921 2.9415 2.9415 2.9697 2.9697 4.9099 4.9099 5.2186 5.2186 6.8347 6.8347 6.8761 6.8761 6.9158 6.9158 6.9547 6.9547 10.5457 10.5457 10.9231 10.9231 17.1426 17.1426 17.6251 17.6251 k = 0.0000 0.0000 0.3020 ( 1762 PWs) bands (ev): -10.4781 -10.4781 -10.4411 -10.4411 1.3795 1.3795 1.3880 1.3880 1.5626 1.5626 1.5707 1.5707 1.7113 1.7113 1.7212 1.7212 2.8815 2.8815 2.8887 2.8887 2.9487 2.9487 2.9628 2.9628 4.9870 4.9870 5.1414 5.1414 6.8550 6.8550 6.8956 6.8956 6.8958 6.8958 6.9351 6.9351 10.6418 10.6418 10.8306 10.8306 17.2574 17.2574 17.4987 17.4987 k = 0.0000 0.0000 0.3121 ( 1762 PWs) bands (ev): -10.4596 -10.4596 -10.4596 -10.4596 1.3833 1.3833 1.3833 1.3833 1.5666 1.5666 1.5666 1.5666 1.7162 1.7162 1.7162 1.7162 2.8852 2.8852 2.8852 2.8852 2.9558 2.9558 2.9558 2.9558 5.0642 5.0642 5.0642 5.0642 6.8753 6.8753 6.8753 6.8753 6.9154 6.9154 6.9154 6.9154 10.7368 10.7368 10.7368 10.7368 17.3761 17.3761 17.3761 17.3761 k = 0.0000 0.0000 0.3121 ( 1762 PWs) bands (ev): -10.4596 -10.4596 -10.4596 -10.4596 1.3833 1.3833 1.3833 1.3833 1.5666 1.5666 1.5666 1.5666 1.7162 1.7162 1.7162 1.7162 2.8852 2.8852 2.8852 2.8852 2.9558 2.9558 2.9558 2.9558 5.0642 5.0642 5.0642 5.0642 6.8753 6.8753 6.8753 6.8753 6.9154 6.9154 6.9154 6.9154 10.7368 10.7368 10.7368 10.7368 17.3761 17.3761 17.3761 17.3761 k = 0.0089 0.0052 0.3121 ( 1762 PWs) bands (ev): -10.4593 -10.4593 -10.4592 -10.4592 1.3820 1.3820 1.3837 1.3837 1.5670 1.5670 1.5670 1.5670 1.7162 1.7162 1.7166 1.7166 2.8835 2.8835 2.8869 2.8869 2.9558 2.9558 2.9558 2.9558 5.0638 5.0638 5.0646 5.0646 6.8736 6.8736 6.8737 6.8737 6.9136 6.9136 6.9140 6.9140 10.7390 10.7390 10.7400 10.7400 17.3750 17.3750 17.3770 17.3770 k = 0.0179 0.0103 0.3121 ( 1764 PWs) bands (ev): -10.4584 -10.4584 -10.4582 -10.4582 1.3801 1.3801 1.3834 1.3834 1.5681 1.5681 1.5682 1.5682 1.7168 1.7168 1.7176 1.7176 2.8817 2.8817 2.8885 2.8885 2.9558 2.9558 2.9558 2.9558 5.0635 5.0635 5.0651 5.0651 6.8683 6.8683 6.8686 6.8686 6.9089 6.9089 6.9095 6.9095 10.7465 10.7465 10.7485 10.7485 17.3735 17.3735 17.3776 17.3776 k = 0.0268 0.0155 0.3121 ( 1768 PWs) bands (ev): -10.4568 -10.4568 -10.4564 -10.4564 1.3775 1.3775 1.3823 1.3823 1.5700 1.5700 1.5702 1.5702 1.7180 1.7180 1.7191 1.7191 2.8799 2.8799 2.8900 2.8900 2.9557 2.9557 2.9558 2.9558 5.0631 5.0631 5.0655 5.0655 6.8587 6.8587 6.8599 6.8599 6.9021 6.9021 6.9023 6.9023 10.7593 10.7593 10.7623 10.7623 17.3717 17.3717 17.3779 17.3779 k = 0.0357 0.0206 0.3121 ( 1772 PWs) bands (ev): -10.4545 -10.4545 -10.4540 -10.4540 1.3742 1.3742 1.3804 1.3804 1.5726 1.5726 1.5730 1.5730 1.7196 1.7196 1.7211 1.7211 2.8780 2.8780 2.8914 2.8914 2.9557 2.9557 2.9559 2.9559 5.0628 5.0628 5.0659 5.0659 6.8444 6.8444 6.8469 6.8469 6.8930 6.8930 6.8936 6.8936 10.7772 10.7772 10.7812 10.7812 17.3694 17.3694 17.3777 17.3777 k = 0.0446 0.0258 0.3121 ( 1772 PWs) bands (ev): -10.4515 -10.4515 -10.4510 -10.4510 1.3703 1.3703 1.3778 1.3778 1.5758 1.5758 1.5766 1.5766 1.7218 1.7218 1.7237 1.7237 2.8762 2.8762 2.8927 2.8927 2.9558 2.9558 2.9561 2.9561 5.0623 5.0623 5.0662 5.0662 6.8252 6.8252 6.8294 6.8294 6.8823 6.8823 6.8842 6.8842 10.8000 10.8000 10.8050 10.8050 17.3667 17.3667 17.3771 17.3771 k = 0.0536 0.0309 0.3121 ( 1768 PWs) bands (ev): -10.4479 -10.4479 -10.4472 -10.4472 1.3659 1.3659 1.3745 1.3745 1.5797 1.5797 1.5809 1.5809 1.7246 1.7246 1.7269 1.7269 2.8745 2.8745 2.8940 2.8940 2.9559 2.9559 2.9564 2.9564 5.0618 5.0618 5.0665 5.0665 6.8012 6.8012 6.8071 6.8071 6.8705 6.8705 6.8737 6.8737 10.8276 10.8276 10.8335 10.8335 17.3633 17.3633 17.3759 17.3759 k = 0.0625 0.0361 0.3121 ( 1764 PWs) bands (ev): -10.4436 -10.4436 -10.4429 -10.4429 1.3611 1.3611 1.3705 1.3705 1.5841 1.5841 1.5860 1.5860 1.7278 1.7278 1.7307 1.7307 2.8727 2.8727 2.8952 2.8952 2.9559 2.9559 2.9568 2.9568 5.0611 5.0611 5.0665 5.0665 6.7730 6.7730 6.7805 6.7805 6.8576 6.8576 6.8621 6.8621 10.8597 10.8597 10.8664 10.8664 17.3592 17.3592 17.3739 17.3739 k = 0.0714 0.0412 0.3121 ( 1768 PWs) bands (ev): -10.4387 -10.4387 -10.4379 -10.4379 1.3558 1.3558 1.3659 1.3659 1.5891 1.5891 1.5917 1.5917 1.7315 1.7315 1.7349 1.7349 2.8709 2.8709 2.8961 2.8961 2.9559 2.9559 2.9572 2.9572 5.0601 5.0601 5.0662 5.0662 6.7408 6.7408 6.7499 6.7499 6.8436 6.8436 6.8493 6.8493 10.8960 10.8960 10.9034 10.9034 17.3541 17.3541 17.3710 17.3710 k = 0.0804 0.0464 0.3121 ( 1760 PWs) bands (ev): -10.4332 -10.4332 -10.4323 -10.4323 1.3501 1.3501 1.3608 1.3608 1.5946 1.5946 1.5982 1.5982 1.7359 1.7359 1.7398 1.7398 2.8692 2.8692 2.8970 2.8970 2.9560 2.9560 2.9579 2.9579 5.0588 5.0588 5.0656 5.0656 6.7054 6.7054 6.7159 6.7159 6.8283 6.8283 6.8351 6.8351 10.9362 10.9362 10.9444 10.9444 17.3478 17.3478 17.3671 17.3671 k = 0.0893 0.0515 0.3121 ( 1760 PWs) bands (ev): -10.4271 -10.4271 -10.4261 -10.4261 1.3441 1.3441 1.3551 1.3551 1.6006 1.6006 1.6052 1.6052 1.7406 1.7406 1.7451 1.7451 2.8675 2.8675 2.8977 2.8977 2.9560 2.9560 2.9586 2.9586 5.0570 5.0570 5.0645 5.0645 6.6669 6.6669 6.6788 6.6788 6.8118 6.8118 6.8197 6.8197 10.9799 10.9799 10.9888 10.9888 17.3402 17.3402 17.3617 17.3617 k = 0.0982 0.0567 0.3121 ( 1760 PWs) bands (ev): -10.4204 -10.4204 -10.4193 -10.4193 1.3377 1.3377 1.3489 1.3489 1.6070 1.6070 1.6127 1.6127 1.7459 1.7459 1.7510 1.7510 2.8659 2.8659 2.8982 2.8982 2.9561 2.9561 2.9595 2.9595 5.0545 5.0545 5.0627 5.0627 6.6261 6.6261 6.6391 6.6391 6.7941 6.7941 6.8029 6.8029 11.0270 11.0270 11.0364 11.0364 17.3309 17.3309 17.3547 17.3547 k = 0.1071 0.0619 0.3121 ( 1756 PWs) bands (ev): -10.4131 -10.4131 -10.4119 -10.4119 1.3311 1.3311 1.3423 1.3423 1.6139 1.6139 1.6208 1.6208 1.7517 1.7517 1.7574 1.7574 2.8644 2.8644 2.8987 2.8987 2.9562 2.9562 2.9606 2.9606 5.0514 5.0514 5.0601 5.0601 6.5832 6.5832 6.5973 6.5973 6.7750 6.7750 6.7847 6.7847 11.0770 11.0770 11.0870 11.0870 17.3197 17.3197 17.3458 17.3458 k = 0.1161 0.0670 0.3121 ( 1756 PWs) bands (ev): -10.4053 -10.4053 -10.4040 -10.4040 1.3243 1.3243 1.3354 1.3354 1.6212 1.6212 1.6294 1.6294 1.7579 1.7579 1.7643 1.7643 2.8629 2.8629 2.8989 2.8989 2.9563 2.9563 2.9617 2.9617 5.0473 5.0473 5.0566 5.0566 6.5387 6.5387 6.5539 6.5539 6.7547 6.7547 6.7653 6.7653 11.1296 11.1296 11.1401 11.1401 17.3062 17.3062 17.3346 17.3346 k = 0.1250 0.0722 0.3121 ( 1752 PWs) bands (ev): -10.3970 -10.3970 -10.3956 -10.3956 1.3172 1.3172 1.3282 1.3282 1.6289 1.6289 1.6384 1.6384 1.7647 1.7647 1.7717 1.7717 2.8615 2.8615 2.8991 2.8991 2.9565 2.9565 2.9631 2.9631 5.0421 5.0421 5.0519 5.0519 6.4932 6.4932 6.5093 6.5093 6.7332 6.7332 6.7446 6.7446 11.1845 11.1845 11.1955 11.1955 17.2903 17.2903 17.3209 17.3209 k = 0.1339 0.0773 0.3121 ( 1756 PWs) bands (ev): -10.3881 -10.3881 -10.3866 -10.3866 1.3101 1.3101 1.3207 1.3207 1.6369 1.6369 1.6479 1.6479 1.7718 1.7718 1.7796 1.7796 2.8602 2.8602 2.8990 2.8990 2.9567 2.9567 2.9646 2.9646 5.0356 5.0356 5.0458 5.0458 6.4470 6.4470 6.4640 6.4640 6.7105 6.7105 6.7227 6.7227 11.2415 11.2415 11.2528 11.2528 17.2714 17.2714 17.3042 17.3042 k = 0.1429 0.0825 0.3121 ( 1760 PWs) bands (ev): -10.3788 -10.3788 -10.3773 -10.3773 1.3027 1.3027 1.3130 1.3130 1.6452 1.6452 1.6577 1.6577 1.7794 1.7794 1.7879 1.7879 2.8589 2.8589 2.8989 2.8989 2.9569 2.9569 2.9663 2.9663 5.0275 5.0275 5.0381 5.0381 6.4006 6.4006 6.4184 6.4184 6.6867 6.6867 6.6996 6.6996 11.3002 11.3002 11.3118 11.3118 17.2494 17.2494 17.2842 17.2842 k = 0.1518 0.0876 0.3121 ( 1758 PWs) bands (ev): -10.3690 -10.3690 -10.3674 -10.3674 1.2954 1.2954 1.3051 1.3051 1.6540 1.6540 1.6679 1.6679 1.7875 1.7875 1.7967 1.7967 2.8579 2.8579 2.8987 2.8987 2.9573 2.9573 2.9682 2.9682 5.0177 5.0177 5.0285 5.0285 6.3545 6.3545 6.3729 6.3729 6.6618 6.6618 6.6754 6.6754 11.3604 11.3604 11.3722 11.3722 17.2240 17.2240 17.2606 17.2606 k = 0.1607 0.0928 0.3121 ( 1758 PWs) bands (ev): -10.3588 -10.3588 -10.3571 -10.3571 1.2879 1.2879 1.2972 1.2972 1.6631 1.6631 1.6785 1.6785 1.7960 1.7960 1.8059 1.8059 2.8569 2.8569 2.8983 2.8983 2.9577 2.9577 2.9703 2.9703 5.0059 5.0059 5.0168 5.0168 6.3091 6.3091 6.3281 6.3281 6.6360 6.6360 6.6502 6.6502 11.4217 11.4217 11.4338 11.4338 17.1950 17.1950 17.2332 17.2332 k = 0.1696 0.0979 0.3121 ( 1758 PWs) bands (ev): -10.3483 -10.3483 -10.3465 -10.3465 1.2805 1.2805 1.2892 1.2892 1.6724 1.6724 1.6895 1.6895 1.8050 1.8050 1.8155 1.8155 2.8561 2.8561 2.8980 2.8980 2.9582 2.9582 2.9725 2.9725 4.9918 4.9918 5.0027 5.0027 6.2650 6.2650 6.2844 6.2844 6.6092 6.6092 6.6241 6.6241 11.4840 11.4840 11.4962 11.4962 17.1622 17.1622 17.2017 17.2017 k = 0.1786 0.1031 0.3121 ( 1758 PWs) bands (ev): -10.3373 -10.3373 -10.3355 -10.3355 1.2731 1.2731 1.2811 1.2811 1.6821 1.6821 1.7007 1.7007 1.8143 1.8143 1.8256 1.8256 2.8554 2.8554 2.8975 2.8975 2.9588 2.9588 2.9749 2.9749 4.9751 4.9751 4.9859 4.9859 6.2225 6.2225 6.2421 6.2421 6.5816 6.5816 6.5970 6.5970 11.5470 11.5470 11.5593 11.5593 17.1256 17.1256 17.1660 17.1660 k = 0.1875 0.1083 0.3121 ( 1754 PWs) bands (ev): -10.3260 -10.3260 -10.3242 -10.3242 1.2658 1.2658 1.2731 1.2731 1.6922 1.6922 1.7123 1.7123 1.8241 1.8241 1.8360 1.8360 2.8549 2.8549 2.8970 2.8970 2.9595 2.9595 2.9775 2.9775 4.9557 4.9557 4.9662 4.9662 6.1821 6.1821 6.2018 6.2018 6.5532 6.5532 6.5692 6.5692 11.6104 11.6104 11.6227 11.6227 17.0852 17.0852 17.1262 17.1262 k = 0.1964 0.1134 0.3121 ( 1754 PWs) bands (ev): -10.3144 -10.3144 -10.3125 -10.3125 1.2586 1.2586 1.2652 1.2652 1.7024 1.7024 1.7241 1.7241 1.8342 1.8342 1.8467 1.8467 2.8545 2.8545 2.8965 2.8965 2.9604 2.9604 2.9803 2.9803 4.9333 4.9333 4.9434 4.9434 6.1442 6.1442 6.1638 6.1638 6.5241 6.5241 6.5406 6.5406 11.6741 11.6741 11.6864 11.6864 17.0411 17.0411 17.0823 17.0823 k = 0.2054 0.1186 0.3121 ( 1746 PWs) bands (ev): -10.3026 -10.3026 -10.3006 -10.3006 1.2516 1.2516 1.2574 1.2574 1.7130 1.7130 1.7362 1.7362 1.8447 1.8447 1.8578 1.8578 2.8544 2.8544 2.8960 2.8960 2.9614 2.9614 2.9832 2.9832 4.9078 4.9078 4.9172 4.9172 6.1090 6.1090 6.1283 6.1283 6.4945 6.4945 6.5114 6.5114 11.7378 11.7378 11.7501 11.7501 16.9937 16.9937 17.0347 17.0348 k = 0.2143 0.1237 0.3121 ( 1746 PWs) bands (ev): -10.2905 -10.2905 -10.2885 -10.2885 1.2446 1.2446 1.2498 1.2498 1.7238 1.7238 1.7484 1.7484 1.8555 1.8555 1.8692 1.8692 2.8543 2.8543 2.8955 2.8955 2.9626 2.9626 2.9863 2.9863 4.8791 4.8791 4.8876 4.8876 6.0767 6.0767 6.0957 6.0957 6.4643 6.4643 6.4816 6.4816 11.8014 11.8014 11.8135 11.8135 16.9432 16.9432 16.9837 16.9837 k = 0.2232 0.1289 0.3121 ( 1746 PWs) bands (ev): -10.2783 -10.2783 -10.2762 -10.2762 1.2379 1.2379 1.2423 1.2423 1.7347 1.7347 1.7608 1.7608 1.8665 1.8665 1.8807 1.8807 2.8545 2.8545 2.8949 2.8949 2.9639 2.9639 2.9895 2.9895 4.8470 4.8470 4.8546 4.8546 6.0477 6.0477 6.0660 6.0660 6.4337 6.4337 6.4513 6.4513 11.8646 11.8646 11.8766 11.8766 16.8899 16.8899 16.9297 16.9297 k = 0.2321 0.1340 0.3121 ( 1746 PWs) bands (ev): -10.2658 -10.2658 -10.2638 -10.2638 1.2314 1.2314 1.2350 1.2350 1.7460 1.7460 1.7734 1.7734 1.8779 1.8779 1.8925 1.8925 2.8548 2.8548 2.8944 2.8944 2.9654 2.9654 2.9929 2.9929 4.8117 4.8117 4.8181 4.8181 6.0218 6.0218 6.0393 6.0393 6.4027 6.4027 6.4206 6.4206 11.9273 11.9273 11.9391 11.9391 16.8345 16.8345 16.8731 16.8731 k = 0.2411 0.1392 0.3121 ( 1742 PWs) bands (ev): -10.2533 -10.2533 -10.2512 -10.2512 1.2251 1.2251 1.2280 1.2280 1.7574 1.7574 1.7862 1.7862 1.8895 1.8895 1.9046 1.9046 2.8553 2.8553 2.8940 2.8940 2.9672 2.9672 2.9965 2.9965 4.7733 4.7733 4.7785 4.7785 5.9992 5.9992 6.0158 6.0158 6.3715 6.3715 6.3896 6.3896 11.9893 11.9893 12.0009 12.0009 16.7773 16.7773 16.8146 16.8146 k = 0.2500 0.1443 0.3121 ( 1750 PWs) bands (ev): -10.2407 -10.2407 -10.2386 -10.2386 1.2191 1.2191 1.2213 1.2213 1.7689 1.7689 1.7990 1.7990 1.9012 1.9012 1.9167 1.9167 2.8559 2.8559 2.8935 2.8935 2.9690 2.9690 3.0001 3.0001 4.7319 4.7319 4.7357 4.7357 5.9796 5.9796 5.9952 5.9952 6.3401 6.3401 6.3583 6.3583 12.0505 12.0505 12.0617 12.0617 16.7189 16.7189 16.7545 16.7545 k = 0.2589 0.1495 0.3121 ( 1752 PWs) bands (ev): -10.2280 -10.2280 -10.2260 -10.2260 1.2134 1.2134 1.2148 1.2148 1.7806 1.7806 1.8119 1.8119 1.9131 1.9131 1.9289 1.9289 2.8568 2.8568 2.8931 2.8931 2.9712 2.9712 3.0040 3.0040 4.6877 4.6877 4.6901 4.6901 5.9630 5.9630 5.9774 5.9774 6.3087 6.3087 6.3270 6.3270 12.1107 12.1107 12.1216 12.1216 16.6596 16.6596 16.6936 16.6936 k = 0.2679 0.1546 0.3121 ( 1754 PWs) bands (ev): -10.2154 -10.2154 -10.2133 -10.2133 1.2080 1.2080 1.2087 1.2087 1.7925 1.7925 1.8249 1.8249 1.9252 1.9252 1.9413 1.9413 2.8579 2.8579 2.8927 2.8927 2.9736 2.9736 3.0080 3.0080 4.6411 4.6411 4.6421 4.6421 5.9491 5.9491 5.9624 5.9624 6.2773 6.2773 6.2955 6.2955 12.1697 12.1697 12.1803 12.1803 16.6000 16.6000 16.6323 16.6323 k = 0.2768 0.1598 0.3121 ( 1750 PWs) bands (ev): -10.2028 -10.2028 -10.2007 -10.2007 1.2029 1.2029 1.2030 1.2030 1.8046 1.8046 1.8379 1.8379 1.9375 1.9375 1.9537 1.9537 2.8592 2.8592 2.8925 2.8925 2.9763 2.9763 3.0123 3.0123 4.5919 4.5919 4.5924 4.5924 5.9378 5.9378 5.9498 5.9498 6.2461 6.2461 6.2642 6.2642 12.2275 12.2275 12.2378 12.2378 16.5405 16.5405 16.5709 16.5709 k = 0.2857 0.1650 0.3121 ( 1746 PWs) bands (ev): -10.1903 -10.1903 -10.1882 -10.1882 1.1977 1.1977 1.1982 1.1982 1.8167 1.8167 1.8509 1.8509 1.9498 1.9498 1.9661 1.9661 2.8608 2.8608 2.8924 2.8924 2.9794 2.9794 3.0167 3.0167 4.5400 4.5400 4.5419 4.5419 5.9287 5.9287 5.9394 5.9394 6.2151 6.2151 6.2330 6.2330 12.2839 12.2839 12.2938 12.2938 16.4816 16.4816 16.5101 16.5101 k = 0.2946 0.1701 0.3121 ( 1742 PWs) bands (ev): -10.1779 -10.1779 -10.1758 -10.1758 1.1928 1.1928 1.1938 1.1938 1.8289 1.8289 1.8638 1.8638 1.9622 1.9622 1.9785 1.9785 2.8625 2.8625 2.8924 2.8924 2.9827 2.9827 3.0214 3.0214 4.4866 4.4866 4.4899 4.4899 5.9216 5.9216 5.9310 5.9310 6.1845 6.1845 6.2020 6.2020 12.3389 12.3389 12.3483 12.3483 16.4234 16.4234 16.4500 16.4500 k = 0.3036 0.1753 0.3121 ( 1744 PWs) bands (ev): -10.1656 -10.1656 -10.1636 -10.1636 1.1882 1.1882 1.1898 1.1898 1.8411 1.8411 1.8767 1.8767 1.9746 1.9746 1.9909 1.9909 2.8644 2.8644 2.8924 2.8924 2.9864 2.9864 3.0261 3.0261 4.4321 4.4321 4.4368 4.4368 5.9163 5.9163 5.9243 5.9243 6.1544 6.1544 6.1713 6.1713 12.3922 12.3922 12.4011 12.4011 16.3664 16.3664 16.3911 16.3911 k = 0.3125 0.1804 0.3121 ( 1748 PWs) bands (ev): -10.1536 -10.1536 -10.1516 -10.1516 1.1839 1.1839 1.1860 1.1860 1.8533 1.8533 1.8893 1.8893 1.9870 1.9870 2.0031 2.0031 2.8664 2.8664 2.8926 2.8926 2.9903 2.9903 3.0309 3.0309 4.3768 4.3768 4.3828 4.3828 5.9124 5.9124 5.9190 5.9190 6.1248 6.1248 6.1411 6.1411 12.4437 12.4437 12.4523 12.4523 16.3108 16.3108 16.3337 16.3337 k = 0.3214 0.1856 0.3121 ( 1748 PWs) bands (ev): -10.1418 -10.1418 -10.1399 -10.1399 1.1802 1.1802 1.1827 1.1827 1.8655 1.8655 1.9019 1.9019 1.9993 1.9993 2.0153 2.0153 2.8685 2.8685 2.8928 2.8928 2.9947 2.9947 3.0360 3.0360 4.3212 4.3212 4.3283 4.3283 5.9099 5.9099 5.9149 5.9150 6.0961 6.0961 6.1115 6.1115 12.4935 12.4935 12.5016 12.5016 16.2569 16.2569 16.2780 16.2780 k = 0.3304 0.1907 0.3121 ( 1752 PWs) bands (ev): -10.1303 -10.1303 -10.1284 -10.1284 1.1767 1.1767 1.1797 1.1797 1.8777 1.8777 1.9142 1.9142 2.0116 2.0116 2.0273 2.0273 2.8708 2.8708 2.8931 2.8931 2.9994 2.9994 3.0411 3.0411 4.2653 4.2653 4.2736 4.2736 5.9083 5.9083 5.9117 5.9117 6.0683 6.0683 6.0825 6.0825 12.5414 12.5414 12.5490 12.5490 16.2048 16.2048 16.2242 16.2242 k = 0.3393 0.1959 0.3121 ( 1744 PWs) bands (ev): -10.1191 -10.1191 -10.1173 -10.1173 1.1738 1.1738 1.1771 1.1771 1.8899 1.8899 1.9262 1.9262 2.0239 2.0239 2.0392 2.0392 2.8733 2.8733 2.8936 2.8936 3.0046 3.0046 3.0465 3.0465 4.2098 4.2098 4.2191 4.2191 5.9077 5.9077 5.9091 5.9091 6.0417 6.0417 6.0543 6.0543 12.5873 12.5873 12.5944 12.5944 16.1549 16.1549 16.1726 16.1726 k = 0.3482 0.2010 0.3121 ( 1744 PWs) bands (ev): -10.1082 -10.1082 -10.1065 -10.1065 1.1711 1.1711 1.1747 1.1747 1.9018 1.9018 1.9379 1.9379 2.0360 2.0360 2.0509 2.0509 2.8758 2.8758 2.8941 2.8941 3.0102 3.0102 3.0520 3.0520 4.1547 4.1547 4.1648 4.1648 5.9067 5.9067 5.9076 5.9076 6.0166 6.0166 6.0270 6.0270 12.6312 12.6312 12.6377 12.6377 16.1072 16.1072 16.1233 16.1233 k = 0.3571 0.2062 0.3121 ( 1744 PWs) bands (ev): -10.0978 -10.0978 -10.0961 -10.0961 1.1689 1.1689 1.1727 1.1727 1.9136 1.9136 1.9492 1.9492 2.0480 2.0480 2.0624 2.0624 2.8785 2.8785 2.8947 2.8947 3.0161 3.0161 3.0577 3.0577 4.1004 4.1004 4.1112 4.1112 5.9037 5.9037 5.9079 5.9079 5.9937 5.9937 6.0010 6.0010 12.6729 12.6729 12.6789 12.6789 16.0618 16.0618 16.0764 16.0764 k = 0.3661 0.2114 0.3121 ( 1746 PWs) bands (ev): -10.0878 -10.0878 -10.0862 -10.0862 1.1669 1.1669 1.1709 1.1709 1.9251 1.9251 1.9599 1.9599 2.0597 2.0597 2.0736 2.0736 2.8811 2.8811 2.8955 2.8955 3.0225 3.0225 3.0635 3.0635 4.0470 4.0470 4.0585 4.0585 5.8993 5.8993 5.9081 5.9081 5.9738 5.9738 5.9765 5.9765 12.7124 12.7124 12.7179 12.7179 16.0189 16.0189 16.0321 16.0321 k = 0.3750 0.2165 0.3121 ( 1742 PWs) bands (ev): -10.0782 -10.0782 -10.0767 -10.0767 1.1654 1.1654 1.1694 1.1694 1.9363 1.9363 1.9702 1.9702 2.0713 2.0713 2.0846 2.0846 2.8839 2.8839 2.8963 2.8963 3.0295 3.0295 3.0695 3.0695 3.9949 3.9949 4.0069 4.0069 5.8922 5.8922 5.9071 5.9071 5.9546 5.9546 5.9581 5.9581 12.7496 12.7496 12.7546 12.7546 15.9786 15.9786 15.9904 15.9904 k = 0.3839 0.2217 0.3121 ( 1748 PWs) bands (ev): -10.0692 -10.0692 -10.0678 -10.0678 1.1641 1.1641 1.1682 1.1682 1.9471 1.9471 1.9798 1.9798 2.0825 2.0825 2.0952 2.0952 2.8865 2.8865 2.8972 2.8972 3.0367 3.0367 3.0755 3.0755 3.9443 3.9443 3.9566 3.9566 5.8814 5.8814 5.9023 5.9023 5.9380 5.9380 5.9477 5.9477 12.7845 12.7845 12.7890 12.7890 15.9409 15.9409 15.9514 15.9514 k = 0.3929 0.2268 0.3121 ( 1748 PWs) bands (ev): -10.0607 -10.0607 -10.0593 -10.0593 1.1630 1.1630 1.1671 1.1671 1.9576 1.9576 1.9888 1.9888 2.0935 2.0935 2.1055 2.1055 2.8892 2.8892 2.8982 2.8982 3.0445 3.0445 3.0817 3.0817 3.8955 3.8955 3.9080 3.9080 5.8675 5.8675 5.8903 5.8903 5.9300 5.9300 5.9420 5.9420 12.8170 12.8170 12.8211 12.8211 15.9059 15.9059 15.9152 15.9152 k = 0.4018 0.2320 0.3121 ( 1748 PWs) bands (ev): -10.0527 -10.0527 -10.0515 -10.0515 1.1623 1.1623 1.1663 1.1663 1.9676 1.9676 1.9971 1.9971 2.1041 2.1041 2.1154 2.1154 2.8918 2.8918 2.8993 2.8993 3.0526 3.0526 3.0880 3.0880 3.8487 3.8487 3.8612 3.8612 5.8521 5.8521 5.8734 5.8734 5.9283 5.9283 5.9393 5.9393 12.8470 12.8470 12.8507 12.8507 15.8736 15.8736 15.8818 15.8818 k = 0.4107 0.2371 0.3121 ( 1744 PWs) bands (ev): -10.0453 -10.0453 -10.0442 -10.0442 1.1618 1.1618 1.1656 1.1656 1.9770 1.9770 2.0046 2.0046 2.1143 2.1143 2.1248 2.1248 2.8944 2.8944 2.9004 2.9004 3.0612 3.0612 3.0944 3.0944 3.8043 3.8043 3.8166 3.8166 5.8365 5.8365 5.8557 5.8557 5.9289 5.9289 5.9383 5.9383 12.8746 12.8746 12.8779 12.8779 15.8441 15.8441 15.8512 15.8512 k = 0.4196 0.2423 0.3121 ( 1752 PWs) bands (ev): -10.0386 -10.0386 -10.0375 -10.0375 1.1614 1.1614 1.1650 1.1650 1.9858 1.9858 2.0113 2.0113 2.1239 2.1239 2.1335 2.1336 2.8968 2.8968 2.9015 2.9015 3.0700 3.0700 3.1007 3.1007 3.7624 3.7624 3.7743 3.7743 5.8215 5.8215 5.8385 5.8385 5.9304 5.9304 5.9383 5.9383 12.8997 12.8997 12.9026 12.9026 15.8174 15.8174 15.8235 15.8235 k = 0.4286 0.2474 0.3121 ( 1752 PWs) bands (ev): -10.0325 -10.0325 -10.0315 -10.0315 1.1612 1.1612 1.1646 1.1646 1.9941 1.9941 2.0172 2.0172 2.1329 2.1329 2.1418 2.1418 2.8991 2.8991 2.9027 2.9027 3.0791 3.0791 3.1071 3.1071 3.7234 3.7234 3.7347 3.7347 5.8076 5.8076 5.8226 5.8226 5.9322 5.9322 5.9388 5.9388 12.9223 12.9223 12.9247 12.9247 15.7935 15.7935 15.7988 15.7988 k = 0.4375 0.2526 0.3121 ( 1756 PWs) bands (ev): -10.0270 -10.0270 -10.0262 -10.0262 1.1611 1.1611 1.1642 1.1642 2.0016 2.0016 2.0222 2.0222 2.1413 2.1413 2.1492 2.1492 2.9011 2.9011 2.9039 2.9039 3.0883 3.0883 3.1133 3.1133 3.6876 3.6876 3.6981 3.6981 5.7950 5.7950 5.8081 5.8081 5.9340 5.9340 5.9396 5.9396 12.9422 12.9422 12.9443 12.9443 15.7724 15.7724 15.7769 15.7769 k = 0.4464 0.2577 0.3121 ( 1760 PWs) bands (ev): -10.0222 -10.0222 -10.0215 -10.0215 1.1611 1.1611 1.1639 1.1639 2.0084 2.0084 2.0264 2.0264 2.1489 2.1489 2.1558 2.1558 2.9030 2.9030 2.9050 2.9050 3.0974 3.0974 3.1192 3.1192 3.6553 3.6553 3.6648 3.6648 5.7840 5.7840 5.7952 5.7952 5.9358 5.9358 5.9404 5.9404 12.9596 12.9596 12.9613 12.9613 15.7542 15.7542 15.7579 15.7579 k = 0.4554 0.2629 0.3121 ( 1752 PWs) bands (ev): -10.0181 -10.0181 -10.0175 -10.0175 1.1613 1.1613 1.1636 1.1636 2.0146 2.0146 2.0297 2.0297 2.1557 2.1557 2.1616 2.1616 2.9047 2.9047 2.9061 2.9061 3.1063 3.1063 3.1248 3.1248 3.6271 3.6271 3.6354 3.6354 5.7747 5.7747 5.7840 5.7840 5.9375 5.9375 5.9412 5.9412 12.9743 12.9743 12.9757 12.9757 15.7388 15.7388 15.7418 15.7418 k = 0.4643 0.2681 0.3121 ( 1754 PWs) bands (ev): -10.0148 -10.0148 -10.0143 -10.0143 1.1615 1.1615 1.1634 1.1634 2.0199 2.0199 2.0322 2.0322 2.1615 2.1615 2.1663 2.1663 2.9061 2.9061 2.9070 2.9070 3.1146 3.1146 3.1296 3.1296 3.6032 3.6032 3.6101 3.6101 5.7672 5.7672 5.7746 5.7746 5.9389 5.9389 5.9418 5.9418 12.9864 12.9864 12.9875 12.9875 15.7263 15.7263 15.7286 15.7286 k = 0.4732 0.2732 0.3121 ( 1758 PWs) bands (ev): -10.0121 -10.0121 -10.0117 -10.0117 1.1617 1.1617 1.1631 1.1631 2.0244 2.0244 2.0337 2.0337 2.1663 2.1663 2.1699 2.1699 2.9072 2.9072 2.9077 2.9077 3.1220 3.1220 3.1333 3.1333 3.5841 3.5841 3.5895 3.5895 5.7614 5.7614 5.7670 5.7670 5.9402 5.9402 5.9423 5.9423 12.9959 12.9959 12.9967 12.9967 15.7166 15.7166 15.7183 15.7183 k = 0.4821 0.2784 0.3121 ( 1754 PWs) bands (ev): -10.0102 -10.0102 -10.0099 -10.0099 1.1619 1.1619 1.1629 1.1629 2.0281 2.0281 2.0343 2.0343 2.1699 2.1699 2.1724 2.1724 2.9080 2.9080 2.9083 2.9083 3.1282 3.1282 3.1358 3.1358 3.5705 3.5705 3.5741 3.5741 5.7576 5.7576 5.7613 5.7613 5.9412 5.9412 5.9426 5.9426 13.0027 13.0027 13.0032 13.0032 15.7098 15.7098 15.7109 15.7109 k = 0.4911 0.2835 0.3121 ( 1756 PWs) bands (ev): -10.0090 -10.0090 -10.0089 -10.0089 1.1622 1.1622 1.1627 1.1627 2.0310 2.0310 2.0341 2.0341 2.1724 2.1724 2.1736 2.1736 2.9085 2.9085 2.9086 2.9086 3.1328 3.1328 3.1366 3.1366 3.5625 3.5625 3.5643 3.5643 5.7556 5.7556 5.7575 5.7575 5.9419 5.9419 5.9426 5.9426 13.0068 13.0068 13.0071 13.0071 15.7058 15.7058 15.7063 15.7063 k = 0.5000 0.2887 0.3121 ( 1752 PWs) bands (ev): -10.0086 -10.0086 -10.0086 -10.0086 1.1625 1.1625 1.1625 1.1625 2.0330 2.0330 2.0330 2.0330 2.1736 2.1736 2.1736 2.1736 2.9088 2.9088 2.9088 2.9088 3.1357 3.1357 3.1357 3.1357 3.5604 3.5604 3.5604 3.5604 5.7556 5.7556 5.7556 5.7556 5.9424 5.9424 5.9424 5.9424 13.0083 13.0083 13.0083 13.0083 15.7046 15.7046 15.7046 15.7046 k = 0.5000 0.2887 0.3121 ( 1752 PWs) bands (ev): -10.0086 -10.0086 -10.0086 -10.0086 1.1625 1.1625 1.1625 1.1625 2.0330 2.0330 2.0330 2.0330 2.1736 2.1736 2.1736 2.1736 2.9088 2.9088 2.9088 2.9088 3.1357 3.1357 3.1357 3.1357 3.5604 3.5604 3.5604 3.5604 5.7556 5.7556 5.7556 5.7556 5.9424 5.9424 5.9424 5.9424 13.0083 13.0083 13.0083 13.0083 15.7046 15.7046 15.7046 15.7046 k = 0.4949 0.2974 0.3121 ( 1756 PWs) bands (ev): -10.0086 -10.0086 -10.0083 -10.0083 1.1623 1.1623 1.1639 1.1639 2.0310 2.0310 2.0342 2.0342 2.1726 2.1726 2.1748 2.1748 2.9013 2.9013 2.9163 2.9163 3.1276 3.1276 3.1439 3.1439 3.5595 3.5595 3.5616 3.5616 5.7493 5.7493 5.7540 5.7540 5.9418 5.9418 5.9460 5.9460 13.0108 13.0108 13.0123 13.0123 15.7047 15.7047 15.7049 15.7049 k = 0.4899 0.3062 0.3121 ( 1752 PWs) bands (ev): -10.0084 -10.0084 -10.0079 -10.0079 1.1635 1.1635 1.1667 1.1667 2.0283 2.0283 2.0347 2.0347 2.1720 2.1720 2.1764 2.1764 2.8942 2.8942 2.9242 2.9242 3.1198 3.1198 3.1525 3.1525 3.5588 3.5588 3.5630 3.5630 5.7359 5.7359 5.7448 5.7448 5.9441 5.9441 5.9520 5.9520 13.0197 13.0197 13.0228 13.0228 15.7052 15.7052 15.7057 15.7057 k = 0.4848 0.3149 0.3121 ( 1756 PWs) bands (ev): -10.0080 -10.0080 -10.0072 -10.0072 1.1659 1.1659 1.1707 1.1707 2.0249 2.0249 2.0343 2.0343 2.1718 2.1718 2.1780 2.1780 2.8872 2.8872 2.9321 2.9321 3.1123 3.1123 3.1613 3.1613 3.5584 3.5584 3.5647 3.5647 5.7162 5.7162 5.7285 5.7285 5.9488 5.9488 5.9595 5.9595 13.0351 13.0351 13.0396 13.0396 15.7061 15.7061 15.7068 15.7068 k = 0.4798 0.3237 0.3121 ( 1752 PWs) bands (ev): -10.0074 -10.0074 -10.0064 -10.0064 1.1697 1.1697 1.1760 1.1760 2.0210 2.0210 2.0332 2.0332 2.1720 2.1720 2.1800 2.1800 2.8805 2.8805 2.9402 2.9402 3.1052 3.1052 3.1703 3.1703 3.5583 3.5583 3.5666 3.5666 5.6912 5.6912 5.7064 5.7064 5.9550 5.9550 5.9676 5.9676 13.0567 13.0567 13.0628 13.0628 15.7074 15.7074 15.7083 15.7083 k = 0.4747 0.3324 0.3121 ( 1748 PWs) bands (ev): -10.0065 -10.0065 -10.0053 -10.0053 1.1747 1.1747 1.1826 1.1826 2.0165 2.0165 2.0313 2.0313 2.1726 2.1726 2.1822 2.1822 2.8739 2.8739 2.9485 2.9485 3.0985 3.0985 3.1795 3.1795 3.5584 3.5584 3.5688 3.5688 5.6616 5.6616 5.6792 5.6792 5.9618 5.9618 5.9758 5.9758 13.0845 13.0845 13.0920 13.0920 15.7091 15.7091 15.7102 15.7102 k = 0.4697 0.3412 0.3121 ( 1744 PWs) bands (ev): -10.0055 -10.0055 -10.0040 -10.0040 1.1809 1.1809 1.1904 1.1904 2.0114 2.0114 2.0286 2.0286 2.1737 2.1737 2.1846 2.1846 2.8675 2.8675 2.9568 2.9568 3.0922 3.0922 3.1889 3.1889 3.5588 3.5588 3.5711 3.5711 5.6279 5.6279 5.6478 5.6478 5.9688 5.9688 5.9837 5.9837 13.1183 13.1183 13.1271 13.1271 15.7112 15.7112 15.7125 15.7125 k = 0.4646 0.3499 0.3121 ( 1748 PWs) bands (ev): -10.0043 -10.0043 -10.0026 -10.0026 1.1883 1.1883 1.1994 1.1994 2.0056 2.0056 2.0250 2.0250 2.1752 2.1752 2.1871 2.1871 2.8611 2.8611 2.9649 2.9649 3.0864 3.0864 3.1984 3.1984 3.5594 3.5594 3.5737 3.5737 5.5906 5.5906 5.6126 5.6126 5.9758 5.9758 5.9912 5.9912 13.1578 13.1578 13.1680 13.1680 15.7135 15.7135 15.7150 15.7150 k = 0.4596 0.3587 0.3121 ( 1748 PWs) bands (ev): -10.0029 -10.0029 -10.0009 -10.0009 1.1969 1.1969 1.2096 1.2096 1.9993 1.9993 2.0207 2.0207 2.1771 2.1771 2.1900 2.1900 2.8548 2.8548 2.9728 2.9728 3.0812 3.0812 3.2080 3.2080 3.5603 3.5603 3.5765 3.5765 5.5500 5.5500 5.5741 5.5741 5.9824 5.9824 5.9982 5.9982 13.2028 13.2028 13.2142 13.2142 15.7162 15.7162 15.7179 15.7179 k = 0.4545 0.3674 0.3121 ( 1752 PWs) bands (ev): -10.0013 -10.0013 -9.9991 -9.9991 1.2067 1.2067 1.2208 1.2208 1.9925 1.9925 2.0156 2.0156 2.1795 2.1795 2.1931 2.1931 2.8485 2.8485 2.9802 2.9802 3.0770 3.0770 3.2177 3.2177 3.5615 3.5615 3.5795 3.5795 5.5065 5.5065 5.5326 5.5326 5.9887 5.9887 6.0046 6.0046 13.2531 13.2531 13.2656 13.2656 15.7191 15.7191 15.7210 15.7210 k = 0.4495 0.3762 0.3121 ( 1744 PWs) bands (ev): -9.9996 -9.9996 -9.9972 -9.9972 1.2175 1.2175 1.2332 1.2332 1.9852 1.9852 2.0100 2.0100 2.1824 2.1824 2.1966 2.1966 2.8423 2.8423 2.9869 2.9869 3.0740 3.0740 3.2275 3.2275 3.5629 3.5629 3.5827 3.5827 5.4605 5.4605 5.4886 5.4886 5.9946 5.9946 6.0106 6.0106 13.3083 13.3083 13.3219 13.3219 15.7223 15.7223 15.7244 15.7244 k = 0.4444 0.3849 0.3121 ( 1748 PWs) bands (ev): -9.9977 -9.9977 -9.9951 -9.9951 1.2294 1.2294 1.2466 1.2466 1.9772 1.9772 2.0036 2.0036 2.1856 2.1856 2.2004 2.2004 2.8359 2.8359 2.9922 2.9922 3.0726 3.0726 3.2373 3.2373 3.5645 3.5645 3.5861 3.5861 5.4121 5.4121 5.4423 5.4423 6.0001 6.0001 6.0161 6.0161 13.3681 13.3681 13.3828 13.3828 15.7256 15.7256 15.7279 15.7279 k = 0.4394 0.3936 0.3121 ( 1742 PWs) bands (ev): -9.9957 -9.9957 -9.9928 -9.9928 1.2422 1.2422 1.2609 1.2609 1.9688 1.9688 1.9967 1.9967 2.1894 2.1894 2.2048 2.2048 2.8295 2.8295 2.9959 2.9959 3.0733 3.0733 3.2471 3.2471 3.5664 3.5664 3.5898 3.5898 5.3618 5.3618 5.3941 5.3941 6.0052 6.0052 6.0212 6.0212 13.4323 13.4323 13.4479 13.4479 15.7292 15.7292 15.7316 15.7316 k = 0.4343 0.4024 0.3121 ( 1738 PWs) bands (ev): -9.9935 -9.9935 -9.9905 -9.9905 1.2560 1.2560 1.2760 1.2760 1.9598 1.9598 1.9894 1.9894 2.1935 2.1935 2.2096 2.2096 2.8229 2.8229 2.9976 2.9976 3.0762 3.0762 3.2569 3.2569 3.5685 3.5685 3.5936 3.5936 5.3100 5.3100 5.3443 5.3443 6.0100 6.0100 6.0259 6.0259 13.5005 13.5005 13.5170 13.5170 15.7328 15.7328 15.7354 15.7354 k = 0.4293 0.4111 0.3121 ( 1738 PWs) bands (ev): -9.9913 -9.9913 -9.9881 -9.9881 1.2706 1.2706 1.2920 1.2920 1.9503 1.9503 1.9815 1.9815 2.1980 2.1980 2.2148 2.2148 2.8160 2.8160 2.9974 2.9974 3.0813 3.0813 3.2665 3.2665 3.5707 3.5707 3.5976 3.5976 5.2569 5.2569 5.2932 5.2932 6.0145 6.0145 6.0302 6.0302 13.5724 13.5724 13.5897 13.5897 15.7364 15.7364 15.7391 15.7391 k = 0.4242 0.4199 0.3121 ( 1738 PWs) bands (ev): -9.9889 -9.9889 -9.9855 -9.9855 1.2859 1.2859 1.3086 1.3086 1.9403 1.9403 1.9733 1.9733 2.2030 2.2030 2.2204 2.2204 2.8088 2.8088 2.9955 2.9955 3.0882 3.0882 3.2760 3.2760 3.5730 3.5730 3.6017 3.6017 5.2030 5.2030 5.2413 5.2413 6.0187 6.0187 6.0343 6.0343 13.6477 13.6477 13.6658 13.6658 15.7399 15.7399 15.7429 15.7429 k = 0.4192 0.4286 0.3121 ( 1746 PWs) bands (ev): -9.9865 -9.9865 -9.9830 -9.9830 1.3019 1.3019 1.3257 1.3257 1.9298 1.9298 1.9647 1.9647 2.2084 2.2084 2.2265 2.2265 2.8012 2.8012 2.9922 2.9922 3.0965 3.0965 3.2852 3.2852 3.5754 3.5754 3.6060 3.6060 5.1487 5.1487 5.1889 5.1889 6.0226 6.0226 6.0381 6.0381 13.7260 13.7260 13.7449 13.7449 15.7432 15.7432 15.7464 15.7464 k = 0.4141 0.4374 0.3121 ( 1750 PWs) bands (ev): -9.9841 -9.9841 -9.9803 -9.9803 1.3185 1.3185 1.3434 1.3434 1.9188 1.9188 1.9558 1.9558 2.2144 2.2144 2.2331 2.2331 2.7932 2.7932 2.9882 2.9882 3.1058 3.1058 3.2941 3.2941 3.5779 3.5779 3.6105 3.6105 5.0943 5.0943 5.1364 5.1364 6.0262 6.0262 6.0416 6.0416 13.8072 13.8072 13.8268 13.8268 15.7463 15.7463 15.7497 15.7497 k = 0.4091 0.4461 0.3121 ( 1754 PWs) bands (ev): -9.9816 -9.9816 -9.9777 -9.9777 1.3356 1.3356 1.3614 1.3614 1.9075 1.9075 1.9467 1.9467 2.2210 2.2210 2.2402 2.2402 2.7848 2.7848 2.9837 2.9837 3.1157 3.1157 3.3027 3.3027 3.5804 3.5804 3.6151 3.6151 5.0403 5.0403 5.0841 5.0841 6.0296 6.0296 6.0449 6.0449 13.8909 13.8909 13.9111 13.9111 15.7489 15.7489 15.7527 15.7527 k = 0.4040 0.4549 0.3121 ( 1754 PWs) bands (ev): -9.9791 -9.9791 -9.9751 -9.9751 1.3530 1.3530 1.3796 1.3796 1.8959 1.8959 1.9374 1.9374 2.2282 2.2282 2.2477 2.2477 2.7759 2.7759 2.9787 2.9787 3.1262 3.1262 3.3109 3.3109 3.5830 3.5830 3.6197 3.6197 4.9871 4.9871 5.0326 5.0326 6.0329 6.0329 6.0480 6.0480 13.9768 13.9768 13.9977 13.9977 15.7509 15.7509 15.7551 15.7551 k = 0.3990 0.4636 0.3121 ( 1758 PWs) bands (ev): -9.9767 -9.9767 -9.9725 -9.9725 1.3708 1.3708 1.3979 1.3979 1.8839 1.8839 1.9280 1.9280 2.2360 2.2360 2.2555 2.2555 2.7664 2.7664 2.9735 2.9735 3.1369 3.1369 3.3186 3.3186 3.5854 3.5854 3.6243 3.6243 4.9351 4.9351 4.9823 4.9823 6.0358 6.0358 6.0508 6.0508 14.0647 14.0647 14.0862 14.0862 15.7520 15.7520 15.7568 15.7568 k = 0.3939 0.4724 0.3121 ( 1756 PWs) bands (ev): -9.9742 -9.9742 -9.9699 -9.9699 1.3886 1.3886 1.4161 1.4161 1.8718 1.8718 1.9186 1.9186 2.2444 2.2444 2.2637 2.2637 2.7566 2.7566 2.9683 2.9683 3.1477 3.1477 3.3258 3.3258 3.5879 3.5879 3.6288 3.6288 4.8847 4.8847 4.9335 4.9335 6.0386 6.0386 6.0535 6.0535 14.1544 14.1544 14.1765 14.1765 15.7519 15.7519 15.7575 15.7575 k = 0.3889 0.4811 0.3121 ( 1752 PWs) bands (ev): -9.9719 -9.9719 -9.9674 -9.9674 1.4065 1.4065 1.4340 1.4340 1.8595 1.8595 1.9093 1.9093 2.2534 2.2534 2.2722 2.2722 2.7462 2.7462 2.9630 2.9630 3.1587 3.1587 3.3323 3.3323 3.5902 3.5902 3.6331 3.6331 4.8363 4.8363 4.8867 4.8867 6.0412 6.0412 6.0560 6.0560 14.2456 14.2456 14.2683 14.2683 15.7501 15.7501 15.7567 15.7567 k = 0.3838 0.4899 0.3121 ( 1756 PWs) bands (ev): -9.9696 -9.9696 -9.9650 -9.9650 1.4242 1.4242 1.4514 1.4514 1.8471 1.8471 1.9001 1.9001 2.2627 2.2627 2.2808 2.2808 2.7354 2.7354 2.9577 2.9577 3.1694 3.1694 3.3381 3.3381 3.5925 3.5925 3.6371 3.6371 4.7903 4.7903 4.8424 4.8424 6.0436 6.0436 6.0582 6.0582 14.3380 14.3380 14.3613 14.3613 15.7460 15.7460 15.7540 15.7540 k = 0.3788 0.4986 0.3121 ( 1760 PWs) bands (ev): -9.9674 -9.9674 -9.9627 -9.9627 1.4415 1.4415 1.4683 1.4683 1.8347 1.8347 1.8911 1.8911 2.2725 2.2725 2.2895 2.2895 2.7241 2.7241 2.9525 2.9525 3.1800 3.1800 3.3430 3.3430 3.5946 3.5946 3.6405 3.6405 4.7472 4.7472 4.8009 4.8009 6.0457 6.0457 6.0603 6.0603 14.4315 14.4315 14.4555 14.4555 15.7385 15.7385 15.7483 15.7483 k = 0.3737 0.5074 0.3121 ( 1760 PWs) bands (ev): -9.9653 -9.9653 -9.9606 -9.9606 1.4584 1.4584 1.4843 1.4843 1.8225 1.8225 1.8825 1.8825 2.2825 2.2825 2.2984 2.2984 2.7126 2.7126 2.9475 2.9475 3.1904 3.1904 3.3472 3.3472 3.5968 3.5968 3.6433 3.6433 4.7074 4.7074 4.7626 4.7626 6.0477 6.0477 6.0622 6.0622 14.5259 14.5259 14.5504 14.5504 15.7265 15.7265 15.7387 15.7387 k = 0.3687 0.5161 0.3121 ( 1760 PWs) bands (ev): -9.9634 -9.9634 -9.9586 -9.9586 1.4745 1.4745 1.4992 1.4992 1.8107 1.8107 1.8744 1.8744 2.2924 2.2924 2.3073 2.3073 2.7010 2.7010 2.9428 2.9428 3.2004 3.2004 3.3504 3.3504 3.5990 3.5990 3.6451 3.6451 4.6713 4.6713 4.7281 4.7281 6.0495 6.0495 6.0639 6.0639 14.6209 14.6209 14.6461 14.6461 15.7081 15.7081 15.7232 15.7232 k = 0.3636 0.5249 0.3121 ( 1752 PWs) bands (ev): -9.9617 -9.9617 -9.9568 -9.9568 1.4895 1.4895 1.5129 1.5129 1.7994 1.7994 1.8670 1.8670 2.3020 2.3020 2.3163 2.3163 2.6896 2.6896 2.9385 2.9385 3.2100 3.2100 3.3527 3.3527 3.6013 3.6013 3.6460 3.6460 4.6394 4.6394 4.6975 4.6975 6.0510 6.0510 6.0653 6.0653 14.7163 14.7163 14.7421 14.7421 15.6811 15.6811 15.6996 15.6996 k = 0.3586 0.5336 0.3121 ( 1748 PWs) bands (ev): -9.9602 -9.9602 -9.9552 -9.9552 1.5033 1.5033 1.5251 1.5251 1.7889 1.7889 1.8603 1.8603 2.3106 2.3106 2.3252 2.3252 2.6786 2.6786 2.9347 2.9347 3.2190 3.2190 3.3540 3.3540 3.6039 3.6039 3.6455 3.6455 4.6118 4.6118 4.6713 4.6713 6.0523 6.0523 6.0666 6.0666 14.8119 14.8119 14.8384 14.8384 15.6431 15.6431 15.6652 15.6652 k = 0.3535 0.5424 0.3121 ( 1748 PWs) bands (ev): -9.9589 -9.9589 -9.9538 -9.9538 1.5152 1.5152 1.5355 1.5355 1.7795 1.7795 1.8547 1.8547 2.3179 2.3179 2.3338 2.3338 2.6684 2.6684 2.9313 2.9313 3.2270 3.2270 3.3545 3.3545 3.6068 3.6068 3.6438 3.6438 4.5890 4.5890 4.6496 4.6496 6.0534 6.0534 6.0676 6.0676 14.9074 14.9074 14.9346 14.9346 15.5926 15.5926 15.6179 15.6179 k = 0.3485 0.5511 0.3121 ( 1748 PWs) bands (ev): -9.9578 -9.9578 -9.9528 -9.9528 1.5250 1.5250 1.5439 1.5439 1.7716 1.7716 1.8501 1.8501 2.3238 2.3238 2.3416 2.3416 2.6595 2.6595 2.9286 2.9286 3.2340 3.2340 3.3543 3.3543 3.6102 3.6102 3.6408 3.6408 4.5711 4.5711 4.6326 4.6326 6.0543 6.0543 6.0685 6.0685 15.0026 15.0026 15.0303 15.0303 15.5296 15.5296 15.5572 15.5572 k = 0.3434 0.5599 0.3121 ( 1742 PWs) bands (ev): -9.9570 -9.9570 -9.9520 -9.9520 1.5324 1.5324 1.5501 1.5501 1.7657 1.7657 1.8469 1.8469 2.3282 2.3282 2.3479 2.3479 2.6525 2.6525 2.9267 2.9267 3.2395 3.2395 3.3538 3.3538 3.6143 3.6143 3.6365 3.6365 4.5584 4.5584 4.6206 4.6206 6.0549 6.0549 6.0691 6.0691 15.0969 15.0969 15.1252 15.1252 15.4558 15.4558 15.4846 15.4846 k = 0.3384 0.5686 0.3121 ( 1742 PWs) bands (ev): -9.9566 -9.9566 -9.9515 -9.9515 1.5369 1.5369 1.5539 1.5539 1.7619 1.7619 1.8449 1.8449 2.3309 2.3309 2.3521 2.3521 2.6480 2.6480 2.9255 2.9255 3.2430 3.2430 3.3532 3.3532 3.6191 3.6191 3.6311 3.6311 4.5508 4.5508 4.6133 4.6133 6.0553 6.0553 6.0694 6.0694 15.1895 15.1895 15.2180 15.2180 15.3744 15.3744 15.4033 15.4033 k = 0.3333 0.5774 0.3121 ( 1740 PWs) bands (ev): -9.9564 -9.9564 -9.9513 -9.9513 1.5384 1.5384 1.5552 1.5552 1.7607 1.7607 1.8443 1.8443 2.3318 2.3318 2.3536 2.3536 2.6464 2.6464 2.9251 2.9251 3.2443 3.2443 3.3529 3.3529 3.6246 3.6246 3.6253 3.6253 4.5483 4.5483 4.6109 4.6109 6.0554 6.0554 6.0695 6.0695 15.2674 15.2674 15.2816 15.2816 15.3147 15.3147 15.3285 15.3285 k = 0.3333 0.5774 0.3121 ( 1740 PWs) bands (ev): -9.9564 -9.9564 -9.9513 -9.9513 1.5384 1.5384 1.5552 1.5552 1.7607 1.7607 1.8443 1.8443 2.3318 2.3318 2.3536 2.3536 2.6464 2.6464 2.9251 2.9251 3.2443 3.2443 3.3529 3.3529 3.6246 3.6246 3.6253 3.6253 4.5483 4.5483 4.6109 4.6109 6.0554 6.0554 6.0695 6.0695 15.2674 15.2674 15.2816 15.2816 15.3147 15.3147 15.3285 15.3285 k = 0.3282 0.5685 0.3121 ( 1744 PWs) bands (ev): -9.9566 -9.9566 -9.9515 -9.9515 1.5368 1.5368 1.5539 1.5539 1.7619 1.7619 1.8449 1.8449 2.3308 2.3308 2.3520 2.3520 2.6481 2.6481 2.9255 2.9255 3.2429 3.2429 3.3532 3.3532 3.6185 3.6185 3.6319 3.6319 4.5508 4.5508 4.6134 4.6134 6.0553 6.0553 6.0694 6.0694 15.1874 15.1874 15.2159 15.2159 15.3767 15.3767 15.4057 15.4057 k = 0.3231 0.5596 0.3121 ( 1748 PWs) bands (ev): -9.9571 -9.9571 -9.9520 -9.9520 1.5323 1.5323 1.5502 1.5502 1.7654 1.7654 1.8466 1.8466 2.3276 2.3276 2.3473 2.3473 2.6532 2.6532 2.9266 2.9266 3.2387 3.2387 3.3540 3.3540 3.6125 3.6125 3.6401 3.6401 4.5582 4.5582 4.6205 4.6205 6.0549 6.0549 6.0690 6.0690 15.0917 15.0917 15.1200 15.1200 15.4630 15.4631 15.4922 15.4922 k = 0.3179 0.5507 0.3121 ( 1752 PWs) bands (ev): -9.9581 -9.9581 -9.9530 -9.9530 1.5252 1.5252 1.5445 1.5445 1.7709 1.7709 1.8493 1.8493 2.3222 2.3222 2.3401 2.3401 2.6614 2.6614 2.9285 2.9285 3.2319 3.2319 3.3548 3.3548 3.6077 3.6077 3.6497 3.6497 4.5703 4.5703 4.6321 4.6321 6.0542 6.0542 6.0684 6.0684 14.9941 14.9941 15.0217 15.0217 15.5456 15.5456 15.5741 15.5741 k = 0.3128 0.5418 0.3121 ( 1754 PWs) bands (ev): -9.9594 -9.9594 -9.9544 -9.9544 1.5159 1.5159 1.5371 1.5371 1.7778 1.7778 1.8528 1.8528 2.3140 2.3140 2.3311 2.3311 2.6722 2.6722 2.9309 2.9309 3.2230 3.2230 3.3549 3.3549 3.6052 3.6052 3.6606 3.6606 4.5868 4.5868 4.6481 4.6481 6.0533 6.0533 6.0675 6.0675 14.8956 14.8956 14.9226 14.9226 15.6223 15.6223 15.6493 15.6493 k = 0.3077 0.5329 0.3121 ( 1754 PWs) bands (ev): -9.9612 -9.9612 -9.9562 -9.9562 1.5048 1.5048 1.5281 1.5281 1.7856 1.7856 1.8567 1.8567 2.3029 2.3029 2.3213 2.3213 2.6850 2.6850 2.9338 2.9338 3.2123 3.2123 3.3536 3.3536 3.6059 3.6059 3.6731 3.6731 4.6073 4.6073 4.6680 4.6680 6.0521 6.0521 6.0664 6.0664 14.7971 14.7971 14.8233 14.8233 15.6912 15.6912 15.7161 15.7161 k = 0.3026 0.5241 0.3121 ( 1748 PWs) bands (ev): -9.9634 -9.9634 -9.9584 -9.9584 1.4923 1.4923 1.5181 1.5181 1.7939 1.7939 1.8610 1.8610 2.2894 2.2894 2.3110 2.3110 2.6993 2.6993 2.9370 2.9370 3.2004 3.2004 3.3503 3.3503 3.6104 3.6104 3.6871 3.6871 4.6316 4.6316 4.6918 4.6918 6.0506 6.0506 6.0651 6.0651 14.6988 14.6988 14.7243 14.7243 15.7513 15.7513 15.7734 15.7734 k = 0.2974 0.5152 0.3121 ( 1752 PWs) bands (ev): -9.9660 -9.9660 -9.9611 -9.9611 1.4788 1.4788 1.5069 1.5069 1.8023 1.8023 1.8653 1.8653 2.2739 2.2739 2.3001 2.3001 2.7144 2.7144 2.9403 2.9403 3.1875 3.1875 3.3444 3.3444 3.6192 3.6192 3.7028 3.7028 4.6593 4.6593 4.7190 4.7190 6.0489 6.0489 6.0635 6.0635 14.6010 14.6010 14.6259 14.6259 15.8021 15.8021 15.8214 15.8214 k = 0.2923 0.5063 0.3121 ( 1760 PWs) bands (ev): -9.9692 -9.9691 -9.9643 -9.9643 1.4645 1.4645 1.4950 1.4950 1.8105 1.8105 1.8696 1.8696 2.2573 2.2573 2.2887 2.2887 2.7299 2.7299 2.9434 2.9434 3.1739 3.1739 3.3361 3.3361 3.6323 3.6323 3.7202 3.7202 4.6903 4.6903 4.7495 4.7495 6.0470 6.0470 6.0617 6.0617 14.5040 14.5040 14.5283 14.5283 15.8444 15.8444 15.8615 15.8615 k = 0.2872 0.4974 0.3121 ( 1760 PWs) bands (ev): -9.9727 -9.9727 -9.9680 -9.9680 1.4498 1.4498 1.4824 1.4824 1.8183 1.8183 1.8737 1.8737 2.2402 2.2402 2.2767 2.2767 2.7454 2.7454 2.9465 2.9465 3.1600 3.1600 3.3257 3.3257 3.6497 3.6497 3.7394 3.7394 4.7242 4.7242 4.7831 4.7831 6.0448 6.0448 6.0597 6.0597 14.4080 14.4080 14.4316 14.4316 15.8797 15.8797 15.8955 15.8955 k = 0.2821 0.4885 0.3121 ( 1756 PWs) bands (ev): -9.9768 -9.9768 -9.9722 -9.9722 1.4348 1.4348 1.4694 1.4694 1.8254 1.8254 1.8776 1.8776 2.2229 2.2229 2.2642 2.2642 2.7605 2.7605 2.9492 2.9492 3.1458 3.1458 3.3135 3.3135 3.6710 3.6710 3.7605 3.7605 4.7609 4.7609 4.8194 4.8194 6.0423 6.0424 6.0575 6.0575 14.3129 14.3129 14.3360 14.3360 15.9099 15.9099 15.9251 15.9251 k = 0.2769 0.4796 0.3121 ( 1756 PWs) bands (ev): -9.9814 -9.9814 -9.9768 -9.9768 1.4196 1.4196 1.4560 1.4560 1.8317 1.8317 1.8811 1.8811 2.2057 2.2057 2.2515 2.2515 2.7750 2.7750 2.9516 2.9516 3.1317 3.1317 3.3000 3.3000 3.6957 3.6957 3.7834 3.7834 4.8001 4.8001 4.8582 4.8582 6.0397 6.0397 6.0551 6.0551 14.2190 14.2190 14.2414 14.2414 15.9366 15.9366 15.9519 15.9519 k = 0.2718 0.4708 0.3121 ( 1756 PWs) bands (ev): -9.9864 -9.9864 -9.9820 -9.9820 1.4045 1.4045 1.4424 1.4424 1.8369 1.8369 1.8843 1.8843 2.1888 2.1888 2.2387 2.2387 2.7887 2.7887 2.9536 2.9536 3.1176 3.1176 3.2855 3.2855 3.7235 3.7235 3.8082 3.8082 4.8416 4.8416 4.8994 4.8994 6.0369 6.0369 6.0526 6.0526 14.1261 14.1261 14.1480 14.1480 15.9610 15.9610 15.9769 15.9769 k = 0.2667 0.4619 0.3121 ( 1752 PWs) bands (ev): -9.9920 -9.9920 -9.9876 -9.9876 1.3894 1.3894 1.4287 1.4287 1.8409 1.8409 1.8870 1.8870 2.1725 2.1725 2.2259 2.2259 2.8015 2.8015 2.9552 2.9552 3.1038 3.1038 3.2705 3.2705 3.7539 3.7539 3.8348 3.8348 4.8853 4.8853 4.9426 4.9426 6.0339 6.0339 6.0500 6.0500 14.0344 14.0344 14.0558 14.0558 15.9842 15.9842 16.0009 16.0009 k = 0.2615 0.4530 0.3121 ( 1748 PWs) bands (ev): -9.9980 -9.9980 -9.9937 -9.9937 1.3747 1.3747 1.4151 1.4151 1.8436 1.8436 1.8895 1.8895 2.1569 2.1569 2.2132 2.2132 2.8132 2.8132 2.9562 2.9562 3.0903 3.0903 3.2551 3.2551 3.7867 3.7867 3.8634 3.8634 4.9309 4.9309 4.9878 4.9878 6.0308 6.0308 6.0472 6.0472 13.9439 13.9439 13.9648 13.9648 16.0068 16.0068 16.0245 16.0245 k = 0.2564 0.4441 0.3121 ( 1746 PWs) bands (ev): -10.0046 -10.0046 -10.0004 -10.0004 1.3602 1.3602 1.4016 1.4016 1.8448 1.8448 1.8914 1.8914 2.1419 2.1419 2.2008 2.2008 2.8236 2.8236 2.9567 2.9567 3.0772 3.0772 3.2397 3.2397 3.8216 3.8216 3.8937 3.8937 4.9783 4.9783 5.0347 5.0347 6.0276 6.0276 6.0444 6.0444 13.8545 13.8545 13.8749 13.8749 16.0294 16.0294 16.0482 16.0482 k = 0.2513 0.4352 0.3121 ( 1742 PWs) bands (ev): -10.0116 -10.0116 -10.0075 -10.0075 1.3462 1.3462 1.3884 1.3884 1.8447 1.8447 1.8929 1.8929 2.1277 2.1277 2.1886 2.1886 2.8330 2.8330 2.9567 2.9567 3.0648 3.0648 3.2243 3.2243 3.8584 3.8584 3.9258 3.9258 5.0273 5.0273 5.0831 5.0831 6.0244 6.0244 6.0417 6.0417 13.7663 13.7663 13.7862 13.7862 16.0523 16.0523 16.0722 16.0722 k = 0.2462 0.4264 0.3121 ( 1742 PWs) bands (ev): -10.0191 -10.0191 -10.0151 -10.0151 1.3327 1.3327 1.3754 1.3754 1.8431 1.8431 1.8937 1.8937 2.1143 2.1143 2.1768 2.1768 2.8410 2.8410 2.9561 2.9561 3.0529 3.0529 3.2091 3.2091 3.8968 3.8968 3.9595 3.9595 5.0776 5.0776 5.1328 5.1328 6.0211 6.0211 6.0389 6.0389 13.6791 13.6791 13.6986 13.6986 16.0758 16.0758 16.0969 16.0969 k = 0.2410 0.4175 0.3121 ( 1746 PWs) bands (ev): -10.0271 -10.0271 -10.0232 -10.0232 1.3198 1.3198 1.3629 1.3629 1.8404 1.8404 1.8939 1.8939 2.1015 2.1015 2.1654 2.1654 2.8478 2.8478 2.9549 2.9549 3.0416 3.0416 3.1941 3.1941 3.9367 3.9367 3.9948 3.9948 5.1292 5.1292 5.1836 5.1836 6.0179 6.0179 6.0363 6.0363 13.5930 13.5930 13.6122 13.6122 16.1002 16.1002 16.1225 16.1225 k = 0.2359 0.4086 0.3121 ( 1746 PWs) bands (ev): -10.0356 -10.0356 -10.0318 -10.0318 1.3075 1.3075 1.3508 1.3508 1.8365 1.8365 1.8935 1.8935 2.0895 2.0895 2.1543 2.1543 2.8534 2.8534 2.9534 2.9534 3.0313 3.0313 3.1796 3.1796 3.9779 3.9779 4.0317 4.0317 5.1818 5.1818 5.2354 5.2354 6.0147 6.0147 6.0339 6.0339 13.5080 13.5080 13.5268 13.5268 16.1257 16.1257 16.1492 16.1492 k = 0.2308 0.3997 0.3121 ( 1746 PWs) bands (ev): -10.0444 -10.0444 -10.0408 -10.0408 1.2959 1.2959 1.3393 1.3393 1.8316 1.8316 1.8923 1.8923 2.0779 2.0779 2.1436 2.1436 2.8580 2.8580 2.9513 2.9513 3.0217 3.0217 3.1655 3.1655 4.0203 4.0203 4.0699 4.0699 5.2353 5.2353 5.2880 5.2880 6.0117 6.0117 6.0317 6.0317 13.4240 13.4240 13.4424 13.4424 16.1523 16.1523 16.1771 16.1771 k = 0.2256 0.3908 0.3121 ( 1746 PWs) bands (ev): -10.0538 -10.0538 -10.0502 -10.0502 1.2851 1.2851 1.3285 1.3285 1.8260 1.8260 1.8903 1.8903 2.0668 2.0668 2.1331 2.1331 2.8614 2.8614 2.9487 2.9487 3.0131 3.0131 3.1519 3.1519 4.0637 4.0638 4.1095 4.1095 5.2894 5.2894 5.3412 5.3412 6.0090 6.0090 6.0299 6.0299 13.3410 13.3410 13.3591 13.3591 16.1803 16.1803 16.2063 16.2063 k = 0.2205 0.3819 0.3121 ( 1746 PWs) bands (ev): -10.0635 -10.0635 -10.0600 -10.0600 1.2750 1.2750 1.3183 1.3183 1.8196 1.8196 1.8876 1.8876 2.0561 2.0561 2.1228 2.1228 2.8639 2.8639 2.9457 2.9457 3.0055 3.0055 3.1389 3.1389 4.1081 4.1081 4.1501 4.1501 5.3441 5.3441 5.3947 5.3947 6.0067 6.0067 6.0286 6.0286 13.2589 13.2589 13.2767 13.2767 16.2096 16.2096 16.2370 16.2370 k = 0.2154 0.3731 0.3121 ( 1746 PWs) bands (ev): -10.0737 -10.0736 -10.0703 -10.0703 1.2658 1.2658 1.3088 1.3088 1.8127 1.8127 1.8842 1.8842 2.0456 2.0456 2.1126 2.1126 2.8655 2.8655 2.9424 2.9424 2.9988 2.9988 3.1264 3.1264 4.1532 4.1532 4.1918 4.1918 5.3990 5.3990 5.4484 5.4484 6.0048 6.0048 6.0280 6.0280 13.1776 13.1776 13.1952 13.1952 16.2404 16.2404 16.2691 16.2691 k = 0.2103 0.3642 0.3121 ( 1742 PWs) bands (ev): -10.0842 -10.0842 -10.0809 -10.0809 1.2575 1.2575 1.3002 1.3002 1.8054 1.8054 1.8802 1.8802 2.0352 2.0352 2.1025 2.1025 2.8662 2.8662 2.9390 2.9390 2.9930 2.9930 3.1146 3.1146 4.1989 4.1989 4.2344 4.2344 5.4540 5.4540 5.5020 5.5020 6.0036 6.0036 6.0281 6.0281 13.0972 13.0972 13.1145 13.1145 16.2728 16.2728 16.3028 16.3028 k = 0.2051 0.3553 0.3121 ( 1746 PWs) bands (ev): -10.0950 -10.0950 -10.0918 -10.0918 1.2501 1.2501 1.2923 1.2923 1.7977 1.7977 1.8755 1.8755 2.0247 2.0247 2.0922 2.0922 2.8662 2.8662 2.9353 2.9353 2.9879 2.9879 3.1033 3.1033 4.2451 4.2451 4.2777 4.2777 5.5087 5.5087 5.5553 5.5553 6.0032 6.0032 6.0294 6.0294 13.0176 13.0176 13.0347 13.0347 16.3067 16.3067 16.3381 16.3381 k = 0.2000 0.3464 0.3121 ( 1742 PWs) bands (ev): -10.1062 -10.1062 -10.1031 -10.1031 1.2435 1.2435 1.2852 1.2852 1.7898 1.7898 1.8705 1.8705 2.0142 2.0142 2.0819 2.0819 2.8657 2.8657 2.9319 2.9319 2.9834 2.9834 3.0927 3.0927 4.2917 4.2917 4.3215 4.3215 5.5630 5.5630 5.6080 5.6080 6.0038 6.0038 6.0319 6.0319 12.9387 12.9387 12.9556 12.9556 16.3422 16.3422 16.3750 16.3750 k = 0.1949 0.3375 0.3121 ( 1738 PWs) bands (ev): -10.1177 -10.1177 -10.1146 -10.1146 1.2379 1.2379 1.2790 1.2790 1.7819 1.7819 1.8649 1.8649 2.0035 2.0035 2.0713 2.0713 2.8648 2.8648 2.9286 2.9286 2.9796 2.9796 3.0827 3.0827 4.3384 4.3384 4.3658 4.3658 5.6165 5.6165 5.6597 5.6597 6.0057 6.0057 6.0361 6.0361 12.8606 12.8606 12.8772 12.8772 16.3794 16.3794 16.4135 16.4135 k = 0.1897 0.3286 0.3121 ( 1738 PWs) bands (ev): -10.1294 -10.1294 -10.1265 -10.1265 1.2332 1.2332 1.2736 1.2736 1.7737 1.7737 1.8590 1.8590 1.9925 1.9925 2.0604 2.0604 2.8635 2.8635 2.9254 2.9254 2.9761 2.9761 3.0732 3.0732 4.3852 4.3852 4.4102 4.4102 5.6687 5.6687 5.7101 5.7101 6.0093 6.0093 6.0424 6.0424 12.7831 12.7831 12.7995 12.7995 16.4180 16.4180 16.4535 16.4535 k = 0.1846 0.3198 0.3121 ( 1734 PWs) bands (ev): -10.1414 -10.1414 -10.1385 -10.1385 1.2294 1.2294 1.2692 1.2692 1.7656 1.7656 1.8528 1.8528 1.9812 1.9812 2.0493 2.0493 2.8620 2.8620 2.9224 2.9224 2.9730 2.9730 3.0644 3.0644 4.4318 4.4318 4.4547 4.4547 5.7191 5.7191 5.7586 5.7586 6.0151 6.0151 6.0514 6.0514 12.7062 12.7062 12.7225 12.7225 16.4582 16.4582 16.4950 16.4950 k = 0.1795 0.3109 0.3121 ( 1726 PWs) bands (ev): -10.1536 -10.1536 -10.1508 -10.1508 1.2266 1.2266 1.2656 1.2656 1.7575 1.7575 1.8463 1.8463 1.9697 1.9697 2.0378 2.0378 2.8605 2.8605 2.9198 2.9198 2.9703 2.9703 3.0561 3.0561 4.4781 4.4781 4.4991 4.4991 5.7670 5.7670 5.8045 5.8045 6.0239 6.0239 6.0638 6.0638 12.6299 12.6299 12.6461 12.6461 16.4998 16.4998 16.5380 16.5380 k = 0.1744 0.3020 0.3121 ( 1730 PWs) bands (ev): -10.1660 -10.1660 -10.1632 -10.1632 1.2246 1.2246 1.2628 1.2628 1.7494 1.7494 1.8396 1.8396 1.9578 1.9578 2.0260 2.0260 2.8588 2.8588 2.9172 2.9172 2.9678 2.9678 3.0482 3.0482 4.5239 4.5239 4.5430 4.5430 5.8116 5.8116 5.8471 5.8471 6.0366 6.0366 6.0803 6.0803 12.5542 12.5542 12.5702 12.5702 16.5427 16.5427 16.5822 16.5822 k = 0.1692 0.2931 0.3121 ( 1726 PWs) bands (ev): -10.1785 -10.1785 -10.1758 -10.1758 1.2235 1.2235 1.2609 1.2609 1.7415 1.7415 1.8327 1.8327 1.9456 1.9456 2.0139 2.0139 2.8573 2.8573 2.9149 2.9149 2.9656 2.9656 3.0409 3.0409 4.5689 4.5689 4.5863 4.5863 5.8520 5.8520 5.8855 5.8855 6.0545 6.0545 6.1015 6.1015 12.4790 12.4790 12.4948 12.4948 16.5868 16.5868 16.6275 16.6275 k = 0.1641 0.2842 0.3121 ( 1732 PWs) bands (ev): -10.1911 -10.1911 -10.1885 -10.1885 1.2231 1.2231 1.2597 1.2597 1.7335 1.7335 1.8256 1.8256 1.9332 1.9332 2.0014 2.0014 2.8560 2.8560 2.9128 2.9128 2.9636 2.9636 3.0341 3.0341 4.6127 4.6127 4.6288 4.6288 5.8877 5.8877 5.9191 5.9191 6.0785 6.0785 6.1277 6.1277 12.4043 12.4043 12.4200 12.4200 16.6319 16.6319 16.6738 16.6738 k = 0.1590 0.2754 0.3121 ( 1732 PWs) bands (ev): -10.2038 -10.2038 -10.2013 -10.2013 1.2236 1.2236 1.2593 1.2593 1.7257 1.7257 1.8183 1.8183 1.9206 1.9206 1.9886 1.9886 2.8548 2.8548 2.9109 2.9109 2.9618 2.9618 3.0277 3.0277 4.6554 4.6554 4.6702 4.6702 5.9190 5.9190 5.9480 5.9480 6.1087 6.1087 6.1587 6.1587 12.3302 12.3302 12.3457 12.3457 16.6779 16.6779 16.7209 16.7209 k = 0.1538 0.2665 0.3121 ( 1732 PWs) bands (ev): -10.2165 -10.2165 -10.2141 -10.2141 1.2250 1.2250 1.2597 1.2597 1.7181 1.7181 1.8109 1.8109 1.9078 1.9078 1.9756 1.9756 2.8538 2.8538 2.9091 2.9091 2.9603 2.9603 3.0216 3.0216 4.6965 4.6965 4.7103 4.7103 5.9469 5.9469 5.9735 5.9735 6.1441 6.1441 6.1934 6.1934 12.2565 12.2565 12.2719 12.2719 16.7244 16.7244 16.7684 16.7684 k = 0.1487 0.2576 0.3121 ( 1736 PWs) bands (ev): -10.2293 -10.2293 -10.2269 -10.2269 1.2270 1.2270 1.2608 1.2608 1.7105 1.7105 1.8032 1.8032 1.8950 1.8950 1.9624 1.9624 2.8530 2.8530 2.9075 2.9075 2.9590 2.9590 3.0160 3.0160 4.7359 4.7359 4.7488 4.7488 5.9725 5.9725 5.9972 5.9972 6.1831 6.1831 6.2307 6.2307 12.1834 12.1834 12.1986 12.1986 16.7712 16.7712 16.8160 16.8160 k = 0.1436 0.2487 0.3121 ( 1736 PWs) bands (ev): -10.2420 -10.2420 -10.2396 -10.2396 1.2298 1.2298 1.2626 1.2626 1.7031 1.7031 1.7953 1.7953 1.8822 1.8822 1.9491 1.9491 2.8524 2.8524 2.9061 2.9061 2.9578 2.9578 3.0107 3.0107 4.7732 4.7732 4.7855 4.7855 5.9973 5.9973 6.0206 6.0206 6.2241 6.2241 6.2697 6.2697 12.1108 12.1108 12.1259 12.1259 16.8179 16.8179 16.8635 16.8635 k = 0.1385 0.2398 0.3121 ( 1740 PWs) bands (ev): -10.2546 -10.2546 -10.2523 -10.2523 1.2333 1.2333 1.2651 1.2651 1.6958 1.6958 1.7871 1.7871 1.8696 1.8696 1.9356 1.9356 2.8520 2.8520 2.9049 2.9049 2.9569 2.9569 3.0057 3.0057 4.8083 4.8083 4.8202 4.8202 6.0222 6.0222 6.0447 6.0447 6.2660 6.2660 6.3095 6.3095 12.0387 12.0387 12.0536 12.0536 16.8644 16.8644 16.9105 16.9105 k = 0.1333 0.2309 0.3121 ( 1736 PWs) bands (ev): -10.2672 -10.2672 -10.2649 -10.2649 1.2374 1.2374 1.2682 1.2682 1.6886 1.6886 1.7786 1.7786 1.8573 1.8573 1.9222 1.9222 2.8519 2.8519 2.9039 2.9039 2.9561 2.9561 3.0011 3.0011 4.8410 4.8410 4.8527 4.8527 6.0482 6.0482 6.0704 6.0704 6.3080 6.3080 6.3493 6.3493 11.9672 11.9672 11.9819 11.9819 16.9101 16.9101 16.9565 16.9565 k = 0.1282 0.2221 0.3121 ( 1744 PWs) bands (ev): -10.2796 -10.2796 -10.2774 -10.2774 1.2421 1.2421 1.2717 1.2717 1.6816 1.6816 1.7696 1.7696 1.8454 1.8454 1.9087 1.9087 2.8519 2.8519 2.9030 2.9030 2.9555 2.9555 2.9967 2.9967 4.8711 4.8711 4.8827 4.8827 6.0758 6.0758 6.0979 6.0979 6.3496 6.3496 6.3887 6.3887 11.8963 11.8963 11.9108 11.9108 16.9547 16.9547 17.0012 17.0012 k = 0.1231 0.2132 0.3121 ( 1742 PWs) bands (ev): -10.2918 -10.2918 -10.2897 -10.2897 1.2473 1.2473 1.2759 1.2759 1.6747 1.6747 1.7603 1.7603 1.8341 1.8341 1.8954 1.8954 2.8522 2.8522 2.9023 2.9023 2.9551 2.9551 2.9926 2.9926 4.8986 4.8986 4.9102 4.9102 6.1054 6.1054 6.1276 6.1276 6.3904 6.3904 6.4274 6.4274 11.8261 11.8261 11.8404 11.8404 16.9979 16.9979 17.0442 17.0442 k = 0.1179 0.2043 0.3121 ( 1738 PWs) bands (ev): -10.3039 -10.3039 -10.3018 -10.3018 1.2530 1.2530 1.2805 1.2805 1.6680 1.6680 1.7504 1.7504 1.8234 1.8234 1.8822 1.8822 2.8526 2.8526 2.9018 2.9018 2.9548 2.9548 2.9888 2.9888 4.9234 4.9234 4.9351 4.9351 6.1372 6.1372 6.1595 6.1595 6.4301 6.4301 6.4651 6.4651 11.7566 11.7566 11.7707 11.7707 17.0392 17.0392 17.0851 17.0851 k = 0.1128 0.1954 0.3121 ( 1742 PWs) bands (ev): -10.3157 -10.3157 -10.3137 -10.3137 1.2591 1.2591 1.2854 1.2854 1.6614 1.6614 1.7400 1.7400 1.8133 1.8133 1.8692 1.8692 2.8531 2.8531 2.9013 2.9013 2.9545 2.9545 2.9852 2.9852 4.9456 4.9456 4.9573 4.9573 6.1713 6.1713 6.1937 6.1937 6.4686 6.4686 6.5017 6.5017 11.6879 11.6879 11.7018 11.7018 17.0785 17.0785 17.1236 17.1236 k = 0.1077 0.1865 0.3121 ( 1746 PWs) bands (ev): -10.3272 -10.3272 -10.3252 -10.3252 1.2655 1.2655 1.2908 1.2908 1.6549 1.6549 1.7292 1.7292 1.8040 1.8040 1.8565 1.8565 2.8537 2.8537 2.9009 2.9009 2.9543 2.9543 2.9819 2.9819 4.9652 4.9652 4.9769 4.9769 6.2076 6.2076 6.2299 6.2299 6.5057 6.5057 6.5369 6.5369 11.6201 11.6201 11.6338 11.6338 17.1152 17.1152 17.1593 17.1593 k = 0.1026 0.1776 0.3121 ( 1746 PWs) bands (ev): -10.3384 -10.3384 -10.3365 -10.3365 1.2723 1.2723 1.2964 1.2964 1.6486 1.6486 1.7180 1.7180 1.7954 1.7954 1.8441 1.8441 2.8545 2.8545 2.9007 2.9007 2.9543 2.9543 2.9787 2.9787 4.9823 4.9823 4.9940 4.9940 6.2459 6.2459 6.2681 6.2681 6.5413 6.5413 6.5707 6.5707 11.5534 11.5534 11.5668 11.5668 17.1494 17.1494 17.1922 17.1922 k = 0.0974 0.1688 0.3121 ( 1750 PWs) bands (ev): -10.3493 -10.3493 -10.3475 -10.3475 1.2793 1.2793 1.3022 1.3022 1.6424 1.6424 1.7066 1.7066 1.7875 1.7875 1.8321 1.8321 2.8554 2.8554 2.9004 2.9004 2.9542 2.9542 2.9758 2.9758 4.9972 4.9972 5.0087 5.0087 6.2861 6.2861 6.3080 6.3080 6.5754 6.5754 6.6030 6.6030 11.4877 11.4877 11.5009 11.5009 17.1807 17.1807 17.2219 17.2219 k = 0.0923 0.1599 0.3121 ( 1754 PWs) bands (ev): -10.3598 -10.3598 -10.3581 -10.3581 1.2865 1.2865 1.3083 1.3083 1.6364 1.6364 1.6950 1.6950 1.7802 1.7802 1.8204 1.8204 2.8563 2.8563 2.9002 2.9002 2.9542 2.9542 2.9731 2.9731 5.0099 5.0099 5.0212 5.0212 6.3277 6.3277 6.3493 6.3493 6.6079 6.6079 6.6338 6.6338 11.4234 11.4234 11.4362 11.4362 17.2091 17.2091 17.2485 17.2485 k = 0.0872 0.1510 0.3121 ( 1762 PWs) bands (ev): -10.3699 -10.3699 -10.3682 -10.3682 1.2938 1.2938 1.3144 1.3144 1.6305 1.6305 1.6833 1.6833 1.7734 1.7734 1.8093 1.8093 2.8574 2.8574 2.9000 2.9000 2.9542 2.9542 2.9705 2.9705 5.0206 5.0206 5.0317 5.0317 6.3706 6.3706 6.3917 6.3917 6.6387 6.6387 6.6629 6.6629 11.3605 11.3605 11.3730 11.3730 17.2345 17.2345 17.2720 17.2720 k = 0.0821 0.1421 0.3121 ( 1762 PWs) bands (ev): -10.3796 -10.3796 -10.3780 -10.3780 1.3013 1.3013 1.3207 1.3207 1.6248 1.6248 1.6718 1.6718 1.7671 1.7671 1.7987 1.7987 2.8586 2.8586 2.8998 2.8998 2.9544 2.9544 2.9682 2.9682 5.0296 5.0296 5.0403 5.0403 6.4143 6.4143 6.4348 6.4348 6.6679 6.6679 6.6904 6.6904 11.2993 11.2993 11.3113 11.3113 17.2571 17.2571 17.2925 17.2925 k = 0.0769 0.1332 0.3121 ( 1766 PWs) bands (ev): -10.3888 -10.3888 -10.3873 -10.3873 1.3086 1.3086 1.3269 1.3269 1.6192 1.6192 1.6605 1.6605 1.7613 1.7613 1.7886 1.7886 2.8598 2.8598 2.8996 2.8996 2.9545 2.9545 2.9662 2.9662 5.0370 5.0370 5.0473 5.0473 6.4584 6.4584 6.4781 6.4781 6.6954 6.6954 6.7162 6.7162 11.2398 11.2398 11.2514 11.2514 17.2769 17.2769 17.3101 17.3101 k = 0.0718 0.1244 0.3121 ( 1766 PWs) bands (ev): -10.3976 -10.3976 -10.3962 -10.3962 1.3160 1.3160 1.3331 1.3331 1.6138 1.6138 1.6495 1.6495 1.7558 1.7558 1.7792 1.7792 2.8612 2.8612 2.8994 2.8994 2.9547 2.9547 2.9643 2.9643 5.0431 5.0431 5.0529 5.0529 6.5025 6.5025 6.5213 6.5213 6.7212 6.7212 6.7404 6.7404 11.1824 11.1824 11.1936 11.1936 17.2941 17.2941 17.3250 17.3250 k = 0.0667 0.1155 0.3121 ( 1766 PWs) bands (ev): -10.4059 -10.4059 -10.4045 -10.4045 1.3232 1.3232 1.3393 1.3393 1.6086 1.6086 1.6390 1.6390 1.7507 1.7507 1.7703 1.7703 2.8627 2.8627 2.8991 2.8991 2.9549 2.9549 2.9627 2.9627 5.0479 5.0479 5.0573 5.0573 6.5462 6.5462 6.5640 6.5640 6.7453 6.7453 6.7629 6.7629 11.1272 11.1272 11.1379 11.1379 17.3089 17.3089 17.3374 17.3374 k = 0.0615 0.1066 0.3121 ( 1762 PWs) bands (ev): -10.4136 -10.4136 -10.4124 -10.4124 1.3303 1.3303 1.3453 1.3453 1.6036 1.6036 1.6289 1.6289 1.7460 1.7460 1.7621 1.7621 2.8643 2.8643 2.8987 2.8987 2.9551 2.9551 2.9613 2.9613 5.0518 5.0518 5.0606 5.0606 6.5890 6.5890 6.6057 6.6057 6.7677 6.7677 6.7837 6.7837 11.0746 11.0746 11.0847 11.0847 17.3215 17.3215 17.3476 17.3476 k = 0.0564 0.0977 0.3121 ( 1762 PWs) bands (ev): -10.4208 -10.4208 -10.4197 -10.4197 1.3372 1.3372 1.3511 1.3511 1.5987 1.5987 1.6194 1.6194 1.7415 1.7415 1.7546 1.7546 2.8658 2.8658 2.8983 2.8983 2.9552 2.9552 2.9601 2.9601 5.0548 5.0548 5.0630 5.0630 6.6305 6.6305 6.6459 6.6459 6.7885 6.7885 6.8028 6.8028 11.0247 11.0247 11.0342 11.0342 17.3321 17.3321 17.3559 17.3559 k = 0.0513 0.0888 0.3121 ( 1766 PWs) bands (ev): -10.4274 -10.4274 -10.4264 -10.4264 1.3437 1.3437 1.3566 1.3566 1.5941 1.5941 1.6104 1.6104 1.7374 1.7374 1.7477 1.7477 2.8675 2.8675 2.8976 2.8976 2.9553 2.9553 2.9590 2.9590 5.0571 5.0571 5.0646 5.0646 6.6701 6.6701 6.6842 6.6842 6.8076 6.8076 6.8204 6.8204 10.9779 10.9779 10.9868 10.9868 17.3410 17.3410 17.3624 17.3624 k = 0.0462 0.0799 0.3121 ( 1766 PWs) bands (ev): -10.4335 -10.4335 -10.4325 -10.4325 1.3499 1.3499 1.3617 1.3617 1.5896 1.5896 1.6022 1.6022 1.7335 1.7335 1.7415 1.7415 2.8692 2.8692 2.8969 2.8969 2.9555 2.9555 2.9582 2.9582 5.0589 5.0589 5.0657 5.0657 6.7075 6.7075 6.7202 6.7202 6.8251 6.8251 6.8363 6.8363 10.9344 10.9344 10.9426 10.9426 17.3483 17.3483 17.3675 17.3675 k = 0.0410 0.0711 0.3121 ( 1766 PWs) bands (ev): -10.4390 -10.4390 -10.4381 -10.4381 1.3557 1.3557 1.3666 1.3666 1.5855 1.5855 1.5948 1.5948 1.7300 1.7300 1.7361 1.7361 2.8710 2.8710 2.8961 2.8961 2.9556 2.9556 2.9575 2.9575 5.0602 5.0602 5.0663 5.0663 6.7422 6.7422 6.7533 6.7533 6.8412 6.8412 6.8506 6.8506 10.8945 10.8945 10.9019 10.9019 17.3544 17.3544 17.3713 17.3713 k = 0.0359 0.0622 0.3121 ( 1762 PWs) bands (ev): -10.4438 -10.4438 -10.4430 -10.4430 1.3611 1.3611 1.3709 1.3709 1.5816 1.5816 1.5881 1.5881 1.7269 1.7269 1.7313 1.7313 2.8728 2.8728 2.8951 2.8951 2.9557 2.9557 2.9570 2.9570 5.0611 5.0611 5.0665 5.0665 6.7738 6.7738 6.7830 6.7830 6.8558 6.8558 6.8635 6.8635 10.8585 10.8585 10.8652 10.8652 17.3594 17.3594 17.3741 17.3741 k = 0.0308 0.0533 0.3121 ( 1766 PWs) bands (ev): -10.4480 -10.4480 -10.4474 -10.4474 1.3660 1.3660 1.3747 1.3747 1.5780 1.5780 1.5823 1.5823 1.7240 1.7240 1.7273 1.7273 2.8745 2.8745 2.8940 2.8940 2.9557 2.9557 2.9566 2.9566 5.0618 5.0618 5.0665 5.0665 6.8017 6.8017 6.8089 6.8089 6.8692 6.8692 6.8750 6.8750 10.8267 10.8267 10.8325 10.8325 17.3635 17.3635 17.3759 17.3759 k = 0.0256 0.0444 0.3121 ( 1770 PWs) bands (ev): -10.4516 -10.4516 -10.4510 -10.4510 1.3704 1.3704 1.3779 1.3779 1.5748 1.5748 1.5774 1.5774 1.7216 1.7216 1.7239 1.7239 2.8763 2.8763 2.8927 2.8927 2.9557 2.9557 2.9562 2.9562 5.0624 5.0624 5.0662 5.0662 6.8254 6.8254 6.8305 6.8305 6.8814 6.8814 6.8853 6.8853 10.7994 10.7994 10.8043 10.8043 17.3668 17.3668 17.3771 17.3771 k = 0.0205 0.0355 0.3121 ( 1770 PWs) bands (ev): -10.4545 -10.4545 -10.4541 -10.4541 1.3742 1.3742 1.3805 1.3805 1.5720 1.5720 1.5734 1.5734 1.7195 1.7195 1.7211 1.7211 2.8781 2.8781 2.8914 2.8914 2.9557 2.9557 2.9560 2.9560 5.0628 5.0628 5.0659 5.0659 6.8445 6.8445 6.8476 6.8476 6.8924 6.8924 6.8946 6.8946 10.7767 10.7767 10.7807 10.7807 17.3695 17.3695 17.3777 17.3777 k = 0.0154 0.0266 0.3121 ( 1770 PWs) bands (ev): -10.4568 -10.4568 -10.4565 -10.4565 1.3775 1.3775 1.3823 1.3823 1.5697 1.5697 1.5703 1.5703 1.7179 1.7179 1.7190 1.7190 2.8799 2.8799 2.8899 2.8899 2.9557 2.9557 2.9558 2.9558 5.0631 5.0631 5.0655 5.0655 6.8588 6.8588 6.8602 6.8602 6.9018 6.9018 6.9028 6.9028 10.7590 10.7590 10.7621 10.7621 17.3717 17.3717 17.3779 17.3779 k = 0.0103 0.0178 0.3121 ( 1762 PWs) bands (ev): -10.4584 -10.4584 -10.4582 -10.4582 1.3801 1.3801 1.3834 1.3834 1.5681 1.5681 1.5683 1.5683 1.7169 1.7169 1.7176 1.7176 2.8818 2.8818 2.8885 2.8885 2.9558 2.9558 2.9558 2.9558 5.0635 5.0635 5.0651 5.0651 6.8683 6.8683 6.8688 6.8688 6.9090 6.9090 6.9096 6.9096 10.7464 10.7464 10.7484 10.7484 17.3735 17.3735 17.3776 17.3776 k = 0.0051 0.0089 0.3121 ( 1762 PWs) bands (ev): -10.4594 -10.4594 -10.4592 -10.4592 1.3820 1.3820 1.3837 1.3837 1.5670 1.5670 1.5670 1.5670 1.7162 1.7162 1.7166 1.7166 2.8835 2.8835 2.8869 2.8869 2.9558 2.9558 2.9558 2.9558 5.0638 5.0638 5.0646 5.0646 6.8737 6.8737 6.8737 6.8737 6.9136 6.9136 6.9141 6.9141 10.7390 10.7390 10.7400 10.7400 17.3750 17.3750 17.3770 17.3770 k = 0.0000 0.0000 0.3121 ( 1762 PWs) bands (ev): -10.4596 -10.4596 -10.4596 -10.4596 1.3833 1.3833 1.3833 1.3833 1.5666 1.5666 1.5666 1.5666 1.7162 1.7162 1.7162 1.7162 2.8852 2.8852 2.8852 2.8852 2.9558 2.9558 2.9558 2.9558 5.0642 5.0642 5.0642 5.0642 6.8753 6.8753 6.8753 6.8753 6.9154 6.9154 6.9154 6.9154 10.7368 10.7368 10.7368 10.7368 17.3761 17.3761 17.3761 17.3761 k = 0.5000 0.2887 0.3121 ( 1752 PWs) bands (ev): -10.0086 -10.0086 -10.0086 -10.0086 1.1625 1.1625 1.1625 1.1625 2.0330 2.0330 2.0330 2.0330 2.1736 2.1736 2.1736 2.1736 2.9088 2.9088 2.9088 2.9088 3.1357 3.1357 3.1357 3.1357 3.5604 3.5604 3.5604 3.5604 5.7556 5.7556 5.7556 5.7556 5.9424 5.9424 5.9424 5.9424 13.0083 13.0083 13.0083 13.0083 15.7046 15.7046 15.7046 15.7046 k = 0.5000 0.2887 0.3020 ( 1756 PWs) bands (ev): -10.0143 -10.0143 -10.0029 -10.0029 1.1609 1.1609 1.1654 1.1654 2.0236 2.0236 2.0420 2.0420 2.1720 2.1720 2.1761 2.1761 2.9061 2.9061 2.9113 2.9113 3.1300 3.1300 3.1410 3.1410 3.5565 3.5565 3.5647 3.5647 5.7206 5.7206 5.7900 5.7900 5.9000 5.9000 5.9820 5.9820 12.9663 12.9663 13.0530 13.0530 15.6846 15.6846 15.7236 15.7236 k = 0.5000 0.2887 0.2920 ( 1756 PWs) bands (ev): -10.0201 -10.0201 -9.9973 -9.9973 1.1606 1.1606 1.1696 1.1696 2.0141 2.0141 2.0506 2.0506 2.1712 2.1712 2.1794 2.1794 2.9036 2.9036 2.9138 2.9138 3.1242 3.1242 3.1461 3.1461 3.5529 3.5529 3.5692 3.5692 5.6854 5.6854 5.8217 5.8217 5.8572 5.8572 6.0184 6.0184 12.9275 12.9275 13.1001 13.1001 15.6635 15.6635 15.7414 15.7414 k = 0.5000 0.2887 0.2819 ( 1756 PWs) bands (ev): -10.0258 -10.0258 -9.9917 -9.9917 1.1615 1.1615 1.1752 1.1752 2.0044 2.0044 2.0588 2.0588 2.1712 2.1712 2.1836 2.1836 2.9010 2.9010 2.9164 2.9164 3.1182 3.1182 3.1509 3.1509 3.5496 3.5496 3.5741 3.5741 5.6499 5.6499 5.8025 5.8025 5.8621 5.8621 6.0514 6.0514 12.8919 12.8919 13.1493 13.1493 15.6414 15.6414 15.7580 15.7580 k = 0.5000 0.2887 0.2718 ( 1750 PWs) bands (ev): -10.0316 -10.0316 -9.9863 -9.9863 1.1636 1.1636 1.1821 1.1821 1.9947 1.9947 2.0664 2.0664 2.1721 2.1721 2.1886 2.1886 2.8985 2.8985 2.9190 2.9190 3.1121 3.1121 3.1555 3.1555 3.5468 3.5468 3.5792 3.5792 5.6144 5.6144 5.7530 5.7530 5.8945 5.8945 6.0810 6.0810 12.8600 12.8600 13.2002 13.2002 15.6184 15.6184 15.7735 15.7735 k = 0.5000 0.2887 0.2618 ( 1750 PWs) bands (ev): -10.0374 -10.0374 -9.9809 -9.9809 1.1669 1.1669 1.1904 1.1904 1.9851 1.9851 2.0734 2.0734 2.1738 2.1738 2.1944 2.1944 2.8959 2.8959 2.9216 2.9216 3.1057 3.1057 3.1598 3.1598 3.5443 3.5443 3.5846 3.5846 5.5788 5.5788 5.7005 5.7005 5.9273 5.9273 6.1070 6.1070 12.8319 12.8319 13.2525 13.2525 15.5944 15.5944 15.7875 15.7875 k = 0.5000 0.2887 0.2517 ( 1756 PWs) bands (ev): -10.0431 -10.0431 -9.9757 -9.9757 1.1712 1.1712 1.2000 1.2000 1.9755 1.9755 2.0798 2.0798 2.1762 2.1762 2.2010 2.2010 2.8932 2.8932 2.9241 2.9241 3.0991 3.0991 3.1638 3.1638 3.5423 3.5423 3.5901 3.5901 5.5430 5.5430 5.6460 5.6460 5.9596 5.9596 6.1294 6.1294 12.8077 12.8077 13.3057 13.3057 15.5694 15.5694 15.8001 15.8001 k = 0.5000 0.2887 0.2416 ( 1748 PWs) bands (ev): -10.0488 -10.0488 -9.9706 -9.9706 1.1766 1.1766 1.2109 1.2109 1.9661 1.9661 2.0857 2.0857 2.1795 2.1795 2.2083 2.2083 2.8906 2.8906 2.9266 2.9266 3.0925 3.0925 3.1675 3.1675 3.5408 3.5408 3.5958 3.5958 5.5069 5.5069 5.5903 5.5903 5.9912 5.9912 6.1483 6.1483 12.7877 12.7877 13.3595 13.3595 15.5436 15.5436 15.8112 15.8112 k = 0.5000 0.2887 0.2316 ( 1748 PWs) bands (ev): -10.0544 -10.0544 -9.9657 -9.9657 1.1828 1.1828 1.2229 1.2229 1.9568 1.9568 2.0910 2.0910 2.1834 2.1834 2.2162 2.2162 2.8879 2.8879 2.9291 2.9291 3.0858 3.0858 3.1710 3.1710 3.5397 3.5397 3.6018 3.6018 5.4699 5.4699 5.5344 5.5344 6.0220 6.0220 6.1637 6.1637 12.7718 12.7718 13.4135 13.4135 15.5168 15.5168 15.8208 15.8208 k = 0.5000 0.2887 0.2215 ( 1750 PWs) bands (ev): -10.0599 -10.0599 -9.9608 -9.9608 1.1899 1.1899 1.2361 1.2361 1.9478 1.9478 2.0960 2.0960 2.1878 2.1878 2.2246 2.2246 2.8851 2.8851 2.9316 2.9316 3.0791 3.0791 3.1741 3.1741 3.5391 3.5391 3.6078 3.6078 5.4302 5.4302 5.4804 5.4804 6.0519 6.0519 6.1757 6.1757 12.7602 12.7602 13.4674 13.4674 15.4890 15.4890 15.8286 15.8286 k = 0.5000 0.2887 0.2114 ( 1750 PWs) bands (ev): -10.0653 -10.0653 -9.9562 -9.9562 1.1976 1.1976 1.2504 1.2504 1.9390 1.9390 2.1007 2.1007 2.1927 2.1927 2.2334 2.2334 2.8822 2.8822 2.9340 2.9340 3.0723 3.0723 3.1769 3.1769 3.5390 3.5390 3.6140 3.6140 5.3842 5.3842 5.4322 5.4322 6.0805 6.0805 6.1846 6.1846 12.7528 12.7528 13.5207 13.5207 15.4604 15.4604 15.8348 15.8348 k = 0.5000 0.2887 0.2014 ( 1746 PWs) bands (ev): -10.0706 -10.0706 -9.9517 -9.9517 1.2060 1.2060 1.2657 1.2657 1.9306 1.9306 2.1052 2.1052 2.1980 2.1980 2.2426 2.2426 2.8793 2.8793 2.9363 2.9363 3.0657 3.0657 3.1795 3.1795 3.5395 3.5395 3.6203 3.6203 5.3305 5.3305 5.3917 5.3917 6.1075 6.1075 6.1910 6.1910 12.7496 12.7496 13.5732 13.5732 15.4310 15.4310 15.8392 15.8392 k = 0.5000 0.2887 0.1913 ( 1738 PWs) bands (ev): -10.0758 -10.0758 -9.9474 -9.9474 1.2149 1.2149 1.2819 1.2819 1.9225 1.9225 2.1098 2.1098 2.2037 2.2037 2.2519 2.2519 2.8764 2.8764 2.9386 2.9386 3.0592 3.0592 3.1818 3.1818 3.5406 3.5406 3.6268 3.6268 5.2723 5.2723 5.3562 5.3562 6.1320 6.1320 6.1958 6.1958 12.7504 12.7504 13.6246 13.6246 15.4008 15.4008 15.8420 15.8420 k = 0.5000 0.2887 0.1812 ( 1738 PWs) bands (ev): -10.0808 -10.0808 -9.9432 -9.9432 1.2242 1.2242 1.2988 1.2988 1.9147 1.9147 2.1143 2.1143 2.2095 2.2095 2.2613 2.2613 2.8733 2.8733 2.9406 2.9406 3.0529 3.0529 3.1837 3.1837 3.5422 3.5422 3.6332 3.6332 5.2121 5.2121 5.3233 5.3233 6.1515 6.1515 6.2016 6.2016 12.7550 12.7550 13.6745 13.6745 15.3698 15.3698 15.8430 15.8430 k = 0.5000 0.2887 0.1712 ( 1738 PWs) bands (ev): -10.0857 -10.0857 -9.9393 -9.9393 1.2338 1.2338 1.3163 1.3163 1.9073 1.9073 2.1190 2.1190 2.2156 2.2156 2.2705 2.2705 2.8701 2.8701 2.9424 2.9424 3.0468 3.0468 3.1854 3.1854 3.5444 3.5444 3.6397 3.6397 5.1513 5.1513 5.2922 5.2922 6.1621 6.1621 6.2127 6.2127 12.7633 12.7633 13.7228 13.7228 15.3381 15.3381 15.8423 15.8423 k = 0.5000 0.2887 0.1611 ( 1742 PWs) bands (ev): -10.0903 -10.0903 -9.9356 -9.9356 1.2435 1.2435 1.3342 1.3342 1.9002 1.9002 2.1238 2.1238 2.2217 2.2217 2.2796 2.2796 2.8667 2.8667 2.9439 2.9439 3.0411 3.0411 3.1867 3.1867 3.5472 3.5472 3.6462 3.6462 5.0907 5.0907 5.2625 5.2625 6.1630 6.1630 6.2300 6.2300 12.7750 12.7750 13.7690 13.7690 15.3059 15.3059 15.8402 15.8402 k = 0.5000 0.2887 0.1510 ( 1742 PWs) bands (ev): -10.0948 -10.0948 -9.9320 -9.9320 1.2533 1.2533 1.3525 1.3525 1.8935 1.8935 2.1289 2.1289 2.2279 2.2279 2.2885 2.2885 2.8632 2.8632 2.9451 2.9451 3.0360 3.0360 3.1878 3.1878 3.5505 3.5505 3.6526 3.6526 5.0307 5.0307 5.2341 5.2341 6.1579 6.1579 6.2499 6.2499 12.7897 12.7897 13.8132 13.8132 15.2732 15.2732 15.8368 15.8368 k = 0.5000 0.2887 0.1410 ( 1742 PWs) bands (ev): -10.0991 -10.0991 -9.9287 -9.9287 1.2631 1.2631 1.3708 1.3708 1.8873 1.8873 2.1342 2.1342 2.2341 2.2341 2.2971 2.2971 2.8596 2.8596 2.9459 2.9459 3.0314 3.0314 3.1887 3.1887 3.5545 3.5545 3.6590 3.6590 4.9717 4.9717 5.2071 5.2071 6.1496 6.1496 6.2702 6.2702 12.8072 12.8072 13.8550 13.8550 15.2403 15.2403 15.8321 15.8321 k = 0.5000 0.2887 0.1309 ( 1740 PWs) bands (ev): -10.1031 -10.1031 -9.9256 -9.9256 1.2727 1.2727 1.3891 1.3891 1.8814 1.8814 2.1398 2.1398 2.2403 2.2403 2.3052 2.3052 2.8559 2.8559 2.9462 2.9462 3.0276 3.0276 3.1893 3.1893 3.5591 3.5591 3.6652 3.6652 4.9142 4.9142 5.1816 5.1816 6.1391 6.1391 6.2898 6.2898 12.8270 12.8270 13.8943 13.8943 15.2073 15.2073 15.8265 15.8265 k = 0.5000 0.2887 0.1208 ( 1760 PWs) bands (ev): -10.1069 -10.1069 -9.9227 -9.9227 1.2819 1.2819 1.4071 1.4071 1.8759 1.8759 2.1455 2.1455 2.2461 2.2461 2.3128 2.3128 2.8518 2.8518 2.9459 2.9459 3.0242 3.0242 3.1895 3.1895 3.5640 3.5640 3.6711 3.6711 4.8585 4.8585 5.1574 5.1574 6.1272 6.1272 6.3085 6.3085 12.8486 12.8486 13.9310 13.9310 15.1744 15.1744 15.8201 15.8201 k = 0.5000 0.2887 0.1108 ( 1760 PWs) bands (ev): -10.1104 -10.1104 -9.9200 -9.9200 1.2909 1.2909 1.4246 1.4246 1.8709 1.8709 2.1517 2.1517 2.2518 2.2518 2.3200 2.3200 2.8478 2.8478 2.9452 2.9452 3.0218 3.0218 3.1897 3.1897 3.5696 3.5696 3.6770 3.6770 4.8050 4.8050 5.1349 5.1349 6.1145 6.1145 6.3261 6.3261 12.8716 12.8716 13.9650 13.9650 15.1419 15.1419 15.8133 15.8133 k = 0.5000 0.2887 0.1007 ( 1756 PWs) bands (ev): -10.1137 -10.1137 -9.9176 -9.9176 1.2995 1.2995 1.4415 1.4415 1.8664 1.8664 2.1581 2.1581 2.2573 2.2573 2.3265 2.3265 2.8438 2.8438 2.9442 2.9442 3.0202 3.0202 3.1897 3.1897 3.5756 3.5756 3.6826 3.6826 4.7540 4.7540 5.1139 5.1139 6.1014 6.1014 6.3423 6.3423 12.8955 12.8955 13.9961 13.9961 15.1102 15.1102 15.8061 15.8061 k = 0.5000 0.2887 0.0906 ( 1760 PWs) bands (ev): -10.1167 -10.1167 -9.9153 -9.9153 1.3075 1.3075 1.4574 1.4574 1.8623 1.8623 2.1646 2.1646 2.2623 2.2623 2.3324 2.3324 2.8397 2.8397 2.9426 2.9426 3.0192 3.0192 3.1895 3.1895 3.5818 3.5818 3.6878 3.6878 4.7061 4.7061 5.0947 5.0947 6.0881 6.0881 6.3572 6.3572 12.9197 12.9197 14.0244 14.0244 15.0796 15.0796 15.7989 15.7989 k = 0.5000 0.2887 0.0805 ( 1758 PWs) bands (ev): -10.1194 -10.1194 -9.9133 -9.9133 1.3149 1.3149 1.4723 1.4723 1.8585 1.8585 2.1713 2.1713 2.2669 2.2669 2.3376 2.3376 2.8358 2.8358 2.9410 2.9410 3.0189 3.0189 3.1892 3.1892 3.5883 3.5883 3.6926 3.6926 4.6616 4.6616 5.0773 5.0773 6.0752 6.0752 6.3706 6.3706 12.9436 12.9436 14.0498 14.0498 15.0505 15.0505 15.7918 15.7918 k = 0.5000 0.2887 0.0705 ( 1758 PWs) bands (ev): -10.1218 -10.1218 -9.9116 -9.9116 1.3215 1.3215 1.4859 1.4859 1.8553 1.8553 2.1779 2.1779 2.2710 2.2710 2.3422 2.3422 2.8319 2.8319 2.9392 2.9392 3.0189 3.0189 3.1889 3.1889 3.5948 3.5948 3.6969 3.6969 4.6208 4.6208 5.0617 5.0617 6.0629 6.0629 6.3825 6.3825 12.9667 12.9667 14.0722 14.0722 15.0232 15.0232 15.7851 15.7851 k = 0.5000 0.2887 0.0604 ( 1758 PWs) bands (ev): -10.1239 -10.1239 -9.9100 -9.9100 1.3274 1.3274 1.4981 1.4981 1.8524 1.8524 2.1842 2.1842 2.2745 2.2745 2.3461 2.3461 2.8282 2.8282 2.9375 2.9375 3.0192 3.0192 3.1885 3.1885 3.6012 3.6012 3.7008 3.7008 4.5844 4.5844 5.0480 5.0480 6.0516 6.0516 6.3929 6.3929 12.9883 12.9883 14.0916 14.0916 14.9984 14.9984 15.7790 15.7790 k = 0.5000 0.2887 0.0503 ( 1758 PWs) bands (ev): -10.1257 -10.1257 -9.9087 -9.9087 1.3325 1.3325 1.5087 1.5087 1.8500 1.8500 2.1901 2.1901 2.2775 2.2775 2.3493 2.3493 2.8248 2.8248 2.9358 2.9358 3.0197 3.0197 3.1880 3.1880 3.6071 3.6071 3.7041 3.7041 4.5525 4.5525 5.0363 5.0363 6.0415 6.0415 6.4018 6.4018 13.0078 13.0078 14.1080 14.1080 14.9763 14.9763 15.7735 15.7735 k = 0.5000 0.2887 0.0403 ( 1758 PWs) bands (ev): -10.1272 -10.1272 -9.9077 -9.9077 1.3368 1.3368 1.5175 1.5175 1.8481 1.8481 2.1954 2.1954 2.2799 2.2799 2.3519 2.3519 2.8219 2.8219 2.9344 2.9344 3.0203 3.0203 3.1876 3.1876 3.6125 3.6125 3.7068 3.7068 4.5257 4.5257 5.0267 5.0267 6.0330 6.0330 6.4091 6.4091 13.0247 13.0247 14.1215 14.1215 14.9575 14.9575 15.7688 15.7688 k = 0.5000 0.2887 0.0302 ( 1750 PWs) bands (ev): -10.1284 -10.1284 -9.9068 -9.9068 1.3402 1.3402 1.5245 1.5245 1.8467 1.8467 2.1999 2.1999 2.2817 2.2817 2.3538 2.3538 2.8197 2.8197 2.9332 2.9332 3.0208 3.0208 3.1873 3.1873 3.6170 3.6170 3.7090 3.7090 4.5045 4.5045 5.0192 5.0192 6.0261 6.0261 6.4147 6.4147 13.0384 13.0384 14.1320 14.1320 14.9424 14.9424 15.7651 15.7651 k = 0.5000 0.2887 0.0201 ( 1754 PWs) bands (ev): -10.1292 -10.1292 -9.9062 -9.9062 1.3425 1.3425 1.5295 1.5295 1.8456 1.8456 2.2033 2.2033 2.2829 2.2829 2.3552 2.3552 2.8178 2.8178 2.9323 2.9323 3.0213 3.0213 3.1870 3.1870 3.6204 3.6204 3.7105 3.7105 4.4890 4.4890 5.0137 5.0137 6.0211 6.0211 6.4188 6.4188 13.0486 13.0486 14.1394 14.1394 14.9313 14.9313 15.7623 15.7623 k = 0.5000 0.2887 0.0101 ( 1750 PWs) bands (ev): -10.1297 -10.1297 -9.9059 -9.9059 1.3441 1.3441 1.5326 1.5326 1.8450 1.8450 2.2054 2.2054 2.2836 2.2836 2.3560 2.3560 2.8167 2.8167 2.9318 2.9318 3.0216 3.0216 3.1868 3.1868 3.6226 3.6226 3.7115 3.7115 4.4796 4.4796 5.0105 5.0105 6.0180 6.0180 6.4213 6.4213 13.0548 13.0548 14.1439 14.1439 14.9245 14.9245 15.7607 15.7607 k = 0.5000 0.2887-0.0000 ( 1750 PWs) bands (ev): -10.1299 -10.1299 -9.9058 -9.9058 1.3446 1.3446 1.5336 1.5336 1.8447 1.8447 2.2061 2.2061 2.2838 2.2838 2.3563 2.3563 2.8164 2.8164 2.9316 2.9316 3.0217 3.0217 3.1868 3.1868 3.6233 3.6233 3.7118 3.7118 4.4765 4.4765 5.0094 5.0094 6.0170 6.0170 6.4221 6.4221 13.0569 13.0569 14.1454 14.1454 14.9222 14.9222 15.7601 15.7601 k = 0.3333 0.5774-0.0000 ( 1767 PWs) bands (ev): -9.9707 -9.9642 -9.9623 -9.9623 1.5381 1.5381 1.8516 1.9444 1.9444 2.0167 2.2767 2.2767 2.4792 2.5367 2.5367 2.6737 2.6737 2.6793 2.8346 2.8424 2.8424 2.9345 2.9345 2.9533 3.5252 3.5252 3.7491 3.7663 3.7663 3.8525 5.3389 5.3686 5.3686 5.4400 5.5287 5.5287 14.9537 14.9539 14.9733 14.9733 15.0339 15.0339 15.4277 15.4277 k = 0.3333 0.5774 0.0101 ( 1761 PWs) bands (ev): -9.9707 -9.9642 -9.9623 -9.9623 1.5385 1.5385 1.8509 1.9435 1.9435 2.0154 2.2755 2.2755 2.4776 2.5360 2.5360 2.6721 2.6721 2.6763 2.8371 2.8454 2.8454 2.9347 2.9347 2.9564 3.5267 3.5267 3.7487 3.7660 3.7660 3.8520 5.3408 5.3703 5.3703 5.4417 5.5276 5.5276 14.9541 14.9542 14.9737 14.9737 15.0345 15.0345 15.4276 15.4276 k = 0.3333 0.5774 0.0201 ( 1755 PWs) bands (ev): -9.9706 -9.9641 -9.9622 -9.9622 1.5392 1.5392 1.8487 1.9406 1.9406 2.0117 2.2719 2.2719 2.4728 2.5336 2.5336 2.6676 2.6676 2.6678 2.8443 2.8536 2.8536 2.9350 2.9350 2.9654 3.5313 3.5313 3.7474 3.7654 3.7654 3.8506 5.3466 5.3753 5.3753 5.4470 5.5243 5.5243 14.9552 14.9553 14.9747 14.9747 15.0361 15.0361 15.4274 15.4274 k = 0.3333 0.5774 0.0302 ( 1755 PWs) bands (ev): -9.9704 -9.9640 -9.9621 -9.9621 1.5403 1.5403 1.8450 1.9358 1.9358 2.0055 2.2660 2.2660 2.4652 2.5296 2.5296 2.6547 2.6615 2.6615 2.8557 2.8659 2.8659 2.9358 2.9358 2.9791 3.5388 3.5388 3.7453 3.7643 3.7643 3.8482 5.3560 5.3835 5.3835 5.4557 5.5188 5.5188 14.9570 14.9570 14.9765 14.9765 15.0388 15.0388 15.4270 15.4270 k = 0.3333 0.5774 0.0403 ( 1755 PWs) bands (ev): -9.9702 -9.9638 -9.9619 -9.9619 1.5418 1.5418 1.8398 1.9292 1.9292 1.9968 2.2580 2.2580 2.4557 2.5237 2.5237 2.6384 2.6550 2.6550 2.8706 2.8806 2.8806 2.9371 2.9371 2.9963 3.5492 3.5492 3.7423 3.7629 3.7629 3.8449 5.3690 5.3945 5.3945 5.4677 5.5116 5.5116 14.9594 14.9595 14.9791 14.9791 15.0425 15.0425 15.4264 15.4264 k = 0.3333 0.5774 0.0503 ( 1758 PWs) bands (ev): -9.9699 -9.9636 -9.9616 -9.9616 1.5437 1.5437 1.8332 1.9207 1.9207 1.9856 2.2480 2.2480 2.4449 2.5162 2.5162 2.6200 2.6492 2.6492 2.8882 2.8961 2.8961 2.9398 2.9398 3.0158 3.5621 3.5621 3.7386 3.7614 3.7614 3.8408 5.3855 5.4075 5.4075 5.4829 5.5033 5.5033 14.9625 14.9628 14.9823 14.9823 15.0472 15.0472 15.4256 15.4256 k = 0.3333 0.5774 0.0604 ( 1758 PWs) bands (ev): -9.9696 -9.9633 -9.9613 -9.9613 1.5461 1.5461 1.8252 1.9105 1.9105 1.9723 2.2363 2.2363 2.4336 2.5072 2.5072 2.6005 2.6444 2.6444 2.9078 2.9099 2.9099 2.9454 2.9454 3.0368 3.5773 3.5773 3.7342 3.7599 3.7599 3.8359 5.4052 5.4205 5.4205 5.4956 5.4956 5.5011 14.9664 14.9668 14.9864 14.9864 15.0529 15.0529 15.4247 15.4247 k = 0.3333 0.5774 0.0705 ( 1758 PWs) bands (ev): -9.9692 -9.9631 -9.9610 -9.9610 1.5488 1.5488 1.8158 1.8987 1.8987 1.9569 2.2232 2.2232 2.4223 2.4970 2.4970 2.5805 2.6408 2.6408 2.9190 2.9190 2.9288 2.9564 2.9564 3.0587 3.5943 3.5943 3.7291 3.7590 3.7590 3.8302 5.4280 5.4287 5.4287 5.4933 5.4933 5.5220 14.9710 14.9716 14.9912 14.9912 15.0595 15.0595 15.4235 15.4235 k = 0.3333 0.5774 0.0805 ( 1752 PWs) bands (ev): -9.9687 -9.9627 -9.9606 -9.9606 1.5520 1.5520 1.8053 1.8854 1.8854 1.9396 2.2089 2.2089 2.4114 2.4861 2.4861 2.5605 2.6383 2.6383 2.9236 2.9236 2.9508 2.9722 2.9722 3.0811 3.6124 3.6124 3.7235 3.7592 3.7592 3.8239 5.4255 5.4255 5.4535 5.5026 5.5026 5.5454 14.9764 14.9773 14.9968 14.9968 15.0670 15.0670 15.4222 15.4222 k = 0.3333 0.5774 0.0906 ( 1740 PWs) bands (ev): -9.9682 -9.9624 -9.9602 -9.9602 1.5556 1.5556 1.7936 1.8708 1.8708 1.9206 2.1935 2.1935 2.4011 2.4750 2.4750 2.5410 2.6369 2.6369 2.9259 2.9259 2.9735 2.9905 2.9905 3.1035 3.6306 3.6306 3.7175 3.7615 3.7615 3.8171 5.4121 5.4121 5.4815 5.5224 5.5224 5.5711 14.9826 14.9837 15.0033 15.0033 15.0753 15.0753 15.4207 15.4207 k = 0.3333 0.5774 0.1007 ( 1743 PWs) bands (ev): -9.9677 -9.9620 -9.9597 -9.9597 1.5595 1.5595 1.7808 1.8551 1.8551 1.9001 2.1772 2.1772 2.3915 2.4637 2.4637 2.5220 2.6360 2.6360 2.9270 2.9270 2.9963 3.0095 3.0095 3.1257 3.6472 3.6472 3.7109 3.7673 3.7673 3.8097 5.3929 5.3929 5.5116 5.5478 5.5478 5.5987 14.9896 14.9910 15.0105 15.0105 15.0842 15.0842 15.4190 15.4190 k = 0.3333 0.5774 0.1108 ( 1743 PWs) bands (ev): -9.9671 -9.9616 -9.9592 -9.9592 1.5637 1.5637 1.7671 1.8384 1.8384 1.8785 2.1602 2.1602 2.3827 2.4526 2.4526 2.5038 2.6357 2.6357 2.9275 2.9275 3.0192 3.0286 3.0286 3.1475 3.6603 3.6603 3.7039 3.7784 3.7784 3.8018 5.3700 5.3700 5.5436 5.5764 5.5764 5.6279 14.9975 14.9992 15.0187 15.0187 15.0938 15.0938 15.4171 15.4171 k = 0.3333 0.5774 0.1208 ( 1743 PWs) bands (ev): -9.9665 -9.9612 -9.9587 -9.9587 1.5681 1.5681 1.7526 1.8211 1.8211 1.8561 2.1426 2.1426 2.3747 2.4420 2.4420 2.4866 2.6358 2.6358 2.9278 2.9278 3.0420 3.0474 3.0474 3.1688 3.6688 3.6688 3.6967 3.7935 3.7960 3.7960 5.3444 5.3444 5.5771 5.6073 5.6073 5.6584 15.0062 15.0082 15.0278 15.0278 15.1040 15.1040 15.4149 15.4149 k = 0.3333 0.5774 0.1309 ( 1743 PWs) bands (ev): -9.9659 -9.9607 -9.9582 -9.9582 1.5728 1.5728 1.7375 1.8035 1.8035 1.8332 2.1246 2.1246 2.3675 2.4320 2.4320 2.4705 2.6362 2.6362 2.9280 2.9280 3.0645 3.0658 3.0658 3.1894 3.6728 3.6728 3.6892 3.7849 3.8198 3.8198 5.3165 5.3165 5.6117 5.6395 5.6395 5.6899 15.0159 15.0182 15.0378 15.0378 15.1147 15.1147 15.4125 15.4125 k = 0.3333 0.5774 0.1410 ( 1743 PWs) bands (ev): -9.9653 -9.9603 -9.9576 -9.9576 1.5775 1.5775 1.7220 1.7859 1.7859 1.8100 2.1063 2.1063 2.3611 2.4226 2.4226 2.4554 2.6367 2.6367 2.9280 2.9280 3.0836 3.0836 3.0866 3.2094 3.6735 3.6735 3.6816 3.7760 3.8484 3.8484 5.2865 5.2865 5.6472 5.6728 5.6728 5.7220 15.0264 15.0291 15.0487 15.0487 15.1257 15.1257 15.4098 15.4098 k = 0.3333 0.5774 0.1510 ( 1737 PWs) bands (ev): -9.9646 -9.9598 -9.9571 -9.9571 1.5822 1.5822 1.7063 1.7687 1.7687 1.7868 2.0878 2.0878 2.3554 2.4139 2.4139 2.4413 2.6375 2.6375 2.9279 2.9279 3.1007 3.1007 3.1082 3.2285 3.6721 3.6721 3.6740 3.7669 3.8808 3.8808 5.2547 5.2547 5.6832 5.7065 5.7065 5.7545 15.0380 15.0410 15.0607 15.0607 15.1372 15.1372 15.4069 15.4069 k = 0.3333 0.5774 0.1611 ( 1743 PWs) bands (ev): -9.9639 -9.9594 -9.9565 -9.9565 1.5865 1.5865 1.6904 1.7523 1.7523 1.7637 2.0691 2.0691 2.3503 2.4059 2.4059 2.4283 2.6382 2.6382 2.9277 2.9277 3.1170 3.1170 3.1293 3.2468 3.6662 3.6693 3.6693 3.7575 3.9159 3.9159 5.2211 5.2211 5.7192 5.7404 5.7404 5.7869 15.0505 15.0539 15.0736 15.0736 15.1489 15.1489 15.4037 15.4037 k = 0.3333 0.5774 0.1712 ( 1743 PWs) bands (ev): -9.9632 -9.9590 -9.9560 -9.9560 1.5902 1.5902 1.6747 1.7372 1.7372 1.7412 2.0504 2.0504 2.3459 2.3985 2.3985 2.4164 2.6390 2.6390 2.9276 2.9276 3.1325 3.1325 3.1499 3.2641 3.6586 3.6657 3.6657 3.7480 3.9532 3.9532 5.1858 5.1858 5.7551 5.7741 5.7741 5.8189 15.0639 15.0678 15.0875 15.0875 15.1608 15.1608 15.4003 15.4003 k = 0.3333 0.5774 0.1812 ( 1743 PWs) bands (ev): -9.9626 -9.9585 -9.9554 -9.9554 1.5929 1.5929 1.6594 1.7194 1.7242 1.7242 2.0318 2.0318 2.3420 2.3918 2.3918 2.4054 2.6398 2.6398 2.9273 2.9273 3.1471 3.1471 3.1697 3.2804 3.6512 3.6617 3.6617 3.7385 3.9923 3.9923 5.1491 5.1491 5.7904 5.8072 5.8072 5.8503 15.0784 15.0826 15.1024 15.1024 15.1728 15.1728 15.3966 15.3966 k = 0.3333 0.5774 0.1913 ( 1752 PWs) bands (ev): -9.9619 -9.9581 -9.9549 -9.9549 1.5939 1.5939 1.6444 1.6983 1.7137 1.7137 2.0130 2.0130 2.3386 2.3857 2.3857 2.3954 2.6406 2.6406 2.9270 2.9270 3.1608 3.1608 3.1889 3.2956 3.6439 3.6574 3.6574 3.7288 4.0327 4.0327 5.1109 5.1109 5.8248 5.8394 5.8394 5.8806 15.0938 15.0983 15.1182 15.1182 15.1849 15.1849 15.3925 15.3925 k = 0.3333 0.5774 0.2014 ( 1752 PWs) bands (ev): -9.9612 -9.9578 -9.9544 -9.9544 1.5929 1.5929 1.6302 1.6783 1.7067 1.7067 1.9947 1.9947 2.3357 2.3803 2.3803 2.3863 2.6414 2.6414 2.9268 2.9268 3.1736 3.1736 3.2075 3.3097 3.6371 3.6532 3.6532 3.7191 4.0745 4.0745 5.0715 5.0715 5.8580 5.8703 5.8703 5.9096 15.1101 15.1150 15.1348 15.1348 15.1971 15.1971 15.3882 15.3882 k = 0.3333 0.5774 0.2114 ( 1758 PWs) bands (ev): -9.9606 -9.9574 -9.9539 -9.9539 1.5895 1.5895 1.6168 1.6594 1.7034 1.7034 1.9765 1.9765 2.3331 2.3753 2.3753 2.3779 2.6422 2.6422 2.9265 2.9265 3.1854 3.1854 3.2253 3.3224 3.6308 3.6489 3.6489 3.7094 4.1173 4.1173 5.0308 5.0308 5.8897 5.8997 5.8997 5.9369 15.1271 15.1323 15.1522 15.1522 15.2092 15.2092 15.3835 15.3835 k = 0.3333 0.5774 0.2215 ( 1752 PWs) bands (ev): -9.9600 -9.9571 -9.9534 -9.9534 1.5841 1.5841 1.6045 1.6419 1.7038 1.7038 1.9587 1.9587 2.3313 2.3705 2.3711 2.3711 2.6429 2.6429 2.9263 2.9263 3.1963 3.1963 3.2424 3.3338 3.6251 3.6448 3.6448 3.6998 4.1611 4.1611 4.9891 4.9891 5.9196 5.9273 5.9273 5.9624 15.1449 15.1503 15.1701 15.1701 15.2213 15.2213 15.3786 15.3786 k = 0.3333 0.5774 0.2316 ( 1752 PWs) bands (ev): -9.9594 -9.9568 -9.9530 -9.9530 1.5773 1.5773 1.5932 1.6258 1.7070 1.7070 1.9413 1.9413 2.3297 2.3638 2.3673 2.3673 2.6435 2.6435 2.9260 2.9260 3.2062 3.2062 3.2586 3.3436 3.6203 3.6409 3.6409 3.6902 4.2056 4.2056 4.9465 4.9465 5.9473 5.9527 5.9527 5.9857 15.1631 15.1686 15.1882 15.1882 15.2334 15.2334 15.3733 15.3733 k = 0.3333 0.5774 0.2416 ( 1740 PWs) bands (ev): -9.9589 -9.9566 -9.9526 -9.9526 1.5699 1.5699 1.5832 1.6111 1.7126 1.7126 1.9244 1.9244 2.3286 2.3578 2.3641 2.3641 2.6443 2.6443 2.9259 2.9259 3.2150 3.2150 3.2741 3.3517 3.6166 3.6374 3.6374 3.6809 4.2507 4.2507 4.9031 4.9031 5.9728 5.9758 5.9758 6.0065 15.1814 15.1869 15.2062 15.2062 15.2455 15.2455 15.3678 15.3678 k = 0.3333 0.5774 0.2517 ( 1740 PWs) bands (ev): -9.9584 -9.9564 -9.9523 -9.9523 1.5625 1.5625 1.5745 1.5980 1.7197 1.7197 1.9081 1.9081 2.3279 2.3524 2.3613 2.3613 2.6448 2.6448 2.9257 2.9257 3.2227 3.2227 3.2887 3.3580 3.6138 3.6342 3.6342 3.6717 4.2964 4.2964 4.8589 4.8589 5.9957 5.9963 5.9963 6.0247 15.1994 15.2048 15.2234 15.2234 15.2576 15.2576 15.3619 15.3619 k = 0.3333 0.5774 0.2618 ( 1740 PWs) bands (ev): -9.9579 -9.9563 -9.9520 -9.9520 1.5557 1.5557 1.5672 1.5866 1.7279 1.7279 1.8926 1.8926 2.3275 2.3476 2.3589 2.3589 2.6453 2.6453 2.9255 2.9255 3.2292 3.2292 3.3023 3.3622 3.6124 3.6314 3.6314 3.6628 4.3424 4.3424 4.8141 4.8141 6.0140 6.0140 6.0158 6.0401 15.2168 15.2218 15.2393 15.2393 15.2698 15.2698 15.3558 15.3558 k = 0.3333 0.5774 0.2718 ( 1740 PWs) bands (ev): -9.9575 -9.9562 -9.9517 -9.9517 1.5497 1.5497 1.5615 1.5768 1.7365 1.7365 1.8782 1.8782 2.3276 2.3435 2.3570 2.3570 2.6457 2.6457 2.9253 2.9253 3.2346 3.2346 3.3149 3.3644 3.6123 3.6290 3.6290 3.6542 4.3885 4.3885 4.7689 4.7689 6.0287 6.0287 6.0330 6.0525 15.2327 15.2371 15.2532 15.2532 15.2819 15.2819 15.3495 15.3495 k = 0.3333 0.5774 0.2819 ( 1740 PWs) bands (ev): -9.9572 -9.9562 -9.9515 -9.9515 1.5448 1.5448 1.5574 1.5687 1.7452 1.7452 1.8652 1.8652 2.3280 2.3398 2.3556 2.3556 2.6460 2.6460 2.9252 2.9252 3.2388 3.2388 3.3264 3.3645 3.6136 3.6271 3.6271 3.6460 4.4347 4.4347 4.7236 4.7236 6.0403 6.0403 6.0470 6.0617 15.2464 15.2501 15.2648 15.2648 15.2934 15.2934 15.3431 15.3431 k = 0.3333 0.5774 0.2920 ( 1746 PWs) bands (ev): -9.9569 -9.9562 -9.9514 -9.9514 1.5413 1.5413 1.5549 1.5624 1.7528 1.7528 1.8544 1.8544 2.3288 2.3366 2.3545 2.3545 2.6462 2.6462 2.9251 2.9251 3.2419 3.2419 3.3366 3.3625 3.6162 3.6257 3.6257 3.6383 4.4801 4.4801 4.6786 4.6786 6.0487 6.0487 6.0579 6.0677 15.2573 15.2599 15.2737 15.2737 15.3035 15.3035 15.3368 15.3368 k = 0.3333 0.5774 0.3020 ( 1743 PWs) bands (ev): -9.9566 -9.9563 -9.9513 -9.9513 1.5391 1.5391 1.5542 1.5579 1.7585 1.7585 1.8470 1.8470 2.3301 2.3339 2.3538 2.3538 2.6463 2.6463 2.9251 2.9251 3.2437 3.2437 3.3455 3.3586 3.6202 3.6249 3.6249 3.6314 4.5230 4.5230 4.6361 4.6361 6.0537 6.0537 6.0654 6.0703 15.2644 15.2658 15.2796 15.2796 15.3112 15.3112 15.3313 15.3313 k = 0.3333 0.5774 0.3121 ( 1740 PWs) bands (ev): -9.9564 -9.9564 -9.9513 -9.9513 1.5384 1.5384 1.5552 1.5552 1.7607 1.7607 1.8443 1.8443 2.3318 2.3318 2.3536 2.3536 2.6464 2.6464 2.9251 2.9251 3.2443 3.2443 3.3529 3.3529 3.6246 3.6246 3.6253 3.6253 4.5483 4.5483 4.6109 4.6109 6.0554 6.0554 6.0695 6.0695 15.2674 15.2674 15.2816 15.2816 15.3147 15.3147 15.3285 15.3285 Writing output data file ZnO.save init_run : 4.70s CPU 13.44s WALL ( 1 calls) electrons : 336.06s CPU 341.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 336.03s CPU 341.59s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.98s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.11s CPU 0.57s WALL ( 1 calls) newd : 0.24s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 410 calls) cegterg : 297.20s CPU 299.84s WALL ( 745 calls) Called by sum_band: Called by *egterg: h_psi : 111.47s CPU 117.33s WALL ( 11782 calls) s_psi : 12.70s CPU 13.57s WALL ( 11782 calls) g_psi : 0.20s CPU 0.31s WALL ( 10627 calls) cdiaghg : 130.79s CPU 128.83s WALL ( 11037 calls) cegterg:over : 28.13s CPU 25.29s WALL ( 10627 calls) cegterg:upda : 2.45s CPU 4.56s WALL ( 10627 calls) cegterg:last : 2.97s CPU 3.66s WALL ( 1975 calls) Called by h_psi: h_psi:vloc : 84.32s CPU 89.74s WALL ( 11782 calls) h_psi:vnl : 27.07s CPU 27.27s WALL ( 11782 calls) add_vuspsi : 6.79s CPU 9.79s WALL ( 11782 calls) General routines calbec : 20.25s CPU 17.41s WALL ( 11782 calls) fft : 0.35s CPU 1.21s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 79.49s CPU 84.80s WALL ( 1030948 calls) interpolate : 0.02s CPU 0.05s WALL ( 4 calls) davcio : 0.03s CPU 1.74s WALL ( 820 calls) Parallel routines fft_scatter : 56.32s CPU 60.62s WALL ( 1030971 calls) PWSCF : 6m29.44s CPU 10m20.00s WALL This run was terminated on: 17:42:13 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=