Program PWSCF v.5.1.1 starts on 31Jul2015 at 3:57:11 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 3 657 280 47 Max 18 11 4 666 302 53 Sum 847 499 151 31731 14077 2357 bravais-lattice index = 14 lattice parameter (alat) = 6.1467 a.u. unit-cell volume = 321.6267 (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)= 6.146712 celldm(2)= 1.000000 celldm(3)= 1.599164 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 1.599164 ) 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 0.625327 ) 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 ) ( 0.7995819 ) 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 ) ( 0.7995819 ) 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 ) ( 0.7995819 ) 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 ) ( 0.7995819 ) 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 ) ( 0.7995819 ) 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 ) ( 0.7995819 ) 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 0.0100859), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.0201718), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.0302578), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.0403437), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.0504296), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.0605155), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.0706014), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.0806873), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.0907732), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.1008592), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.1109451), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.1210310), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.1311169), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.1412028), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.1512887), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.1613747), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.1714606), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.1815465), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.1916324), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.2017183), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.2118042), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.2218902), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.2319761), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.2420620), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.2521479), wk = 0.0024390 k( 184) = ( 0.0000000 0.0000000 0.2622338), wk = 0.0024390 k( 185) = ( 0.0000000 0.0000000 0.2723197), wk = 0.0024390 k( 186) = ( 0.0000000 0.0000000 0.2824057), wk = 0.0024390 k( 187) = ( 0.0000000 0.0000000 0.2924916), wk = 0.0024390 k( 188) = ( 0.0000000 0.0000000 0.3025775), wk = 0.0024390 k( 189) = ( 0.0000000 0.0000000 0.3126634), wk = 0.0024390 k( 190) = ( 0.0000000 0.0000000 0.3126634), wk = 0.0024390 k( 191) = ( 0.0089286 0.0051549 0.3126634), wk = 0.0024390 k( 192) = ( 0.0178571 0.0103098 0.3126634), wk = 0.0024390 k( 193) = ( 0.0267857 0.0154647 0.3126634), wk = 0.0024390 k( 194) = ( 0.0357143 0.0206197 0.3126634), wk = 0.0024390 k( 195) = ( 0.0446429 0.0257746 0.3126634), wk = 0.0024390 k( 196) = ( 0.0535714 0.0309295 0.3126634), wk = 0.0024390 k( 197) = ( 0.0625000 0.0360844 0.3126634), wk = 0.0024390 k( 198) = ( 0.0714286 0.0412393 0.3126634), wk = 0.0024390 k( 199) = ( 0.0803571 0.0463942 0.3126634), wk = 0.0024390 k( 200) = ( 0.0892857 0.0515491 0.3126634), wk = 0.0024390 k( 201) = ( 0.0982143 0.0567040 0.3126634), wk = 0.0024390 k( 202) = ( 0.1071429 0.0618590 0.3126634), wk = 0.0024390 k( 203) = ( 0.1160714 0.0670139 0.3126634), wk = 0.0024390 k( 204) = ( 0.1250000 0.0721688 0.3126634), wk = 0.0024390 k( 205) = ( 0.1339286 0.0773237 0.3126634), wk = 0.0024390 k( 206) = ( 0.1428571 0.0824786 0.3126634), wk = 0.0024390 k( 207) = ( 0.1517857 0.0876335 0.3126634), wk = 0.0024390 k( 208) = ( 0.1607143 0.0927884 0.3126634), wk = 0.0024390 k( 209) = ( 0.1696429 0.0979434 0.3126634), wk = 0.0024390 k( 210) = ( 0.1785714 0.1030983 0.3126634), wk = 0.0024390 k( 211) = ( 0.1875000 0.1082532 0.3126634), wk = 0.0024390 k( 212) = ( 0.1964286 0.1134081 0.3126634), wk = 0.0024390 k( 213) = ( 0.2053571 0.1185630 0.3126634), wk = 0.0024390 k( 214) = ( 0.2142857 0.1237179 0.3126634), wk = 0.0024390 k( 215) = ( 0.2232143 0.1288728 0.3126634), wk = 0.0024390 k( 216) = ( 0.2321429 0.1340277 0.3126634), wk = 0.0024390 k( 217) = ( 0.2410714 0.1391827 0.3126634), wk = 0.0024390 k( 218) = ( 0.2500000 0.1443376 0.3126634), wk = 0.0024390 k( 219) = ( 0.2589286 0.1494925 0.3126634), wk = 0.0024390 k( 220) = ( 0.2678571 0.1546474 0.3126634), wk = 0.0024390 k( 221) = ( 0.2767857 0.1598023 0.3126634), wk = 0.0024390 k( 222) = ( 0.2857143 0.1649572 0.3126634), wk = 0.0024390 k( 223) = ( 0.2946429 0.1701121 0.3126634), wk = 0.0024390 k( 224) = ( 0.3035714 0.1752670 0.3126634), wk = 0.0024390 k( 225) = ( 0.3125000 0.1804220 0.3126634), wk = 0.0024390 k( 226) = ( 0.3214286 0.1855769 0.3126634), wk = 0.0024390 k( 227) = ( 0.3303571 0.1907318 0.3126634), wk = 0.0024390 k( 228) = ( 0.3392857 0.1958867 0.3126634), wk = 0.0024390 k( 229) = ( 0.3482143 0.2010416 0.3126634), wk = 0.0024390 k( 230) = ( 0.3571429 0.2061965 0.3126634), wk = 0.0024390 k( 231) = ( 0.3660714 0.2113514 0.3126634), wk = 0.0024390 k( 232) = ( 0.3750000 0.2165064 0.3126634), wk = 0.0024390 k( 233) = ( 0.3839286 0.2216613 0.3126634), wk = 0.0024390 k( 234) = ( 0.3928571 0.2268162 0.3126634), wk = 0.0024390 k( 235) = ( 0.4017857 0.2319711 0.3126634), wk = 0.0024390 k( 236) = ( 0.4107143 0.2371260 0.3126634), wk = 0.0024390 k( 237) = ( 0.4196429 0.2422809 0.3126634), wk = 0.0024390 k( 238) = ( 0.4285714 0.2474358 0.3126634), wk = 0.0024390 k( 239) = ( 0.4375000 0.2525907 0.3126634), wk = 0.0024390 k( 240) = ( 0.4464286 0.2577457 0.3126634), wk = 0.0024390 k( 241) = ( 0.4553571 0.2629006 0.3126634), wk = 0.0024390 k( 242) = ( 0.4642857 0.2680555 0.3126634), wk = 0.0024390 k( 243) = ( 0.4732143 0.2732104 0.3126634), wk = 0.0024390 k( 244) = ( 0.4821429 0.2783653 0.3126634), wk = 0.0024390 k( 245) = ( 0.4910714 0.2835202 0.3126634), wk = 0.0024390 k( 246) = ( 0.5000000 0.2886751 0.3126634), wk = 0.0024390 k( 247) = ( 0.5000000 0.2886751 0.3126634), wk = 0.0024390 k( 248) = ( 0.4949495 0.2974229 0.3126634), wk = 0.0024390 k( 249) = ( 0.4898990 0.3061706 0.3126634), wk = 0.0024390 k( 250) = ( 0.4848485 0.3149183 0.3126634), wk = 0.0024390 k( 251) = ( 0.4797980 0.3236661 0.3126634), wk = 0.0024390 k( 252) = ( 0.4747475 0.3324138 0.3126634), wk = 0.0024390 k( 253) = ( 0.4696970 0.3411615 0.3126634), wk = 0.0024390 k( 254) = ( 0.4646465 0.3499093 0.3126634), wk = 0.0024390 k( 255) = ( 0.4595960 0.3586570 0.3126634), wk = 0.0024390 k( 256) = ( 0.4545455 0.3674047 0.3126634), wk = 0.0024390 k( 257) = ( 0.4494950 0.3761524 0.3126634), wk = 0.0024390 k( 258) = ( 0.4444444 0.3849002 0.3126634), wk = 0.0024390 k( 259) = ( 0.4393939 0.3936479 0.3126634), wk = 0.0024390 k( 260) = ( 0.4343434 0.4023956 0.3126634), wk = 0.0024390 k( 261) = ( 0.4292929 0.4111434 0.3126634), wk = 0.0024390 k( 262) = ( 0.4242424 0.4198911 0.3126634), wk = 0.0024390 k( 263) = ( 0.4191919 0.4286388 0.3126634), wk = 0.0024390 k( 264) = ( 0.4141414 0.4373866 0.3126634), wk = 0.0024390 k( 265) = ( 0.4090909 0.4461343 0.3126634), wk = 0.0024390 k( 266) = ( 0.4040404 0.4548820 0.3126634), wk = 0.0024390 k( 267) = ( 0.3989899 0.4636298 0.3126634), wk = 0.0024390 k( 268) = ( 0.3939394 0.4723775 0.3126634), wk = 0.0024390 k( 269) = ( 0.3888889 0.4811252 0.3126634), wk = 0.0024390 k( 270) = ( 0.3838384 0.4898730 0.3126634), wk = 0.0024390 k( 271) = ( 0.3787879 0.4986207 0.3126634), wk = 0.0024390 k( 272) = ( 0.3737374 0.5073684 0.3126634), wk = 0.0024390 k( 273) = ( 0.3686869 0.5161161 0.3126634), wk = 0.0024390 k( 274) = ( 0.3636364 0.5248639 0.3126634), wk = 0.0024390 k( 275) = ( 0.3585859 0.5336116 0.3126634), wk = 0.0024390 k( 276) = ( 0.3535354 0.5423593 0.3126634), wk = 0.0024390 k( 277) = ( 0.3484849 0.5511071 0.3126634), wk = 0.0024390 k( 278) = ( 0.3434343 0.5598548 0.3126634), wk = 0.0024390 k( 279) = ( 0.3383838 0.5686025 0.3126634), wk = 0.0024390 k( 280) = ( 0.3333333 0.5773503 0.3126634), wk = 0.0024390 k( 281) = ( 0.3333333 0.5773503 0.3126634), wk = 0.0024390 k( 282) = ( 0.3282051 0.5684680 0.3126634), wk = 0.0024390 k( 283) = ( 0.3230769 0.5595856 0.3126634), wk = 0.0024390 k( 284) = ( 0.3179487 0.5507033 0.3126634), wk = 0.0024390 k( 285) = ( 0.3128205 0.5418210 0.3126634), wk = 0.0024390 k( 286) = ( 0.3076923 0.5329387 0.3126634), wk = 0.0024390 k( 287) = ( 0.3025641 0.5240564 0.3126634), wk = 0.0024390 k( 288) = ( 0.2974359 0.5151741 0.3126634), wk = 0.0024390 k( 289) = ( 0.2923077 0.5062918 0.3126634), wk = 0.0024390 k( 290) = ( 0.2871795 0.4974095 0.3126634), wk = 0.0024390 k( 291) = ( 0.2820513 0.4885271 0.3126634), wk = 0.0024390 k( 292) = ( 0.2769231 0.4796448 0.3126634), wk = 0.0024390 k( 293) = ( 0.2717949 0.4707625 0.3126634), wk = 0.0024390 k( 294) = ( 0.2666667 0.4618802 0.3126634), wk = 0.0024390 k( 295) = ( 0.2615385 0.4529979 0.3126634), wk = 0.0024390 k( 296) = ( 0.2564103 0.4441156 0.3126634), wk = 0.0024390 k( 297) = ( 0.2512820 0.4352333 0.3126634), wk = 0.0024390 k( 298) = ( 0.2461539 0.4263510 0.3126634), wk = 0.0024390 k( 299) = ( 0.2410256 0.4174687 0.3126634), wk = 0.0024390 k( 300) = ( 0.2358974 0.4085864 0.3126634), wk = 0.0024390 k( 301) = ( 0.2307692 0.3997040 0.3126634), wk = 0.0024390 k( 302) = ( 0.2256410 0.3908217 0.3126634), wk = 0.0024390 k( 303) = ( 0.2205128 0.3819394 0.3126634), wk = 0.0024390 k( 304) = ( 0.2153846 0.3730571 0.3126634), wk = 0.0024390 k( 305) = ( 0.2102564 0.3641748 0.3126634), wk = 0.0024390 k( 306) = ( 0.2051282 0.3552925 0.3126634), wk = 0.0024390 k( 307) = ( 0.2000000 0.3464102 0.3126634), wk = 0.0024390 k( 308) = ( 0.1948718 0.3375278 0.3126634), wk = 0.0024390 k( 309) = ( 0.1897436 0.3286455 0.3126634), wk = 0.0024390 k( 310) = ( 0.1846154 0.3197632 0.3126634), wk = 0.0024390 k( 311) = ( 0.1794872 0.3108809 0.3126634), wk = 0.0024390 k( 312) = ( 0.1743590 0.3019986 0.3126634), wk = 0.0024390 k( 313) = ( 0.1692308 0.2931163 0.3126634), wk = 0.0024390 k( 314) = ( 0.1641026 0.2842340 0.3126634), wk = 0.0024390 k( 315) = ( 0.1589744 0.2753517 0.3126634), wk = 0.0024390 k( 316) = ( 0.1538461 0.2664693 0.3126634), wk = 0.0024390 k( 317) = ( 0.1487179 0.2575870 0.3126634), wk = 0.0024390 k( 318) = ( 0.1435897 0.2487047 0.3126634), wk = 0.0024390 k( 319) = ( 0.1384615 0.2398224 0.3126634), wk = 0.0024390 k( 320) = ( 0.1333333 0.2309401 0.3126634), wk = 0.0024390 k( 321) = ( 0.1282051 0.2220578 0.3126634), wk = 0.0024390 k( 322) = ( 0.1230769 0.2131755 0.3126634), wk = 0.0024390 k( 323) = ( 0.1179487 0.2042932 0.3126634), wk = 0.0024390 k( 324) = ( 0.1128205 0.1954109 0.3126634), wk = 0.0024390 k( 325) = ( 0.1076923 0.1865286 0.3126634), wk = 0.0024390 k( 326) = ( 0.1025641 0.1776462 0.3126634), wk = 0.0024390 k( 327) = ( 0.0974359 0.1687639 0.3126634), wk = 0.0024390 k( 328) = ( 0.0923077 0.1598816 0.3126634), wk = 0.0024390 k( 329) = ( 0.0871795 0.1509993 0.3126634), wk = 0.0024390 k( 330) = ( 0.0820513 0.1421170 0.3126634), wk = 0.0024390 k( 331) = ( 0.0769231 0.1332347 0.3126634), wk = 0.0024390 k( 332) = ( 0.0717949 0.1243524 0.3126634), wk = 0.0024390 k( 333) = ( 0.0666667 0.1154701 0.3126634), wk = 0.0024390 k( 334) = ( 0.0615385 0.1065877 0.3126634), wk = 0.0024390 k( 335) = ( 0.0564103 0.0977054 0.3126634), wk = 0.0024390 k( 336) = ( 0.0512821 0.0888231 0.3126634), wk = 0.0024390 k( 337) = ( 0.0461539 0.0799408 0.3126634), wk = 0.0024390 k( 338) = ( 0.0410256 0.0710585 0.3126634), wk = 0.0024390 k( 339) = ( 0.0358974 0.0621762 0.3126634), wk = 0.0024390 k( 340) = ( 0.0307692 0.0532939 0.3126634), wk = 0.0024390 k( 341) = ( 0.0256410 0.0444116 0.3126634), wk = 0.0024390 k( 342) = ( 0.0205128 0.0355292 0.3126634), wk = 0.0024390 k( 343) = ( 0.0153846 0.0266469 0.3126634), wk = 0.0024390 k( 344) = ( 0.0102564 0.0177646 0.3126634), wk = 0.0024390 k( 345) = ( 0.0051282 0.0088823 0.3126634), wk = 0.0024390 k( 346) = ( 0.0000000 0.0000000 0.3126634), wk = 0.0024390 k( 347) = ( 0.5000000 0.2886751 0.3126634), wk = 0.0024390 k( 348) = ( 0.5000000 0.2886751 0.3025775), wk = 0.0024390 k( 349) = ( 0.5000000 0.2886751 0.2924916), wk = 0.0024390 k( 350) = ( 0.5000000 0.2886751 0.2824057), wk = 0.0024390 k( 351) = ( 0.5000000 0.2886751 0.2723197), wk = 0.0024390 k( 352) = ( 0.5000000 0.2886751 0.2622338), wk = 0.0024390 k( 353) = ( 0.5000000 0.2886751 0.2521479), wk = 0.0024390 k( 354) = ( 0.5000000 0.2886751 0.2420620), wk = 0.0024390 k( 355) = ( 0.5000000 0.2886751 0.2319761), wk = 0.0024390 k( 356) = ( 0.5000000 0.2886751 0.2218902), wk = 0.0024390 k( 357) = ( 0.5000000 0.2886751 0.2118042), wk = 0.0024390 k( 358) = ( 0.5000000 0.2886751 0.2017183), wk = 0.0024390 k( 359) = ( 0.5000000 0.2886751 0.1916324), wk = 0.0024390 k( 360) = ( 0.5000000 0.2886751 0.1815465), wk = 0.0024390 k( 361) = ( 0.5000000 0.2886751 0.1714606), wk = 0.0024390 k( 362) = ( 0.5000000 0.2886751 0.1613747), wk = 0.0024390 k( 363) = ( 0.5000000 0.2886751 0.1512887), wk = 0.0024390 k( 364) = ( 0.5000000 0.2886751 0.1412028), wk = 0.0024390 k( 365) = ( 0.5000000 0.2886751 0.1311169), wk = 0.0024390 k( 366) = ( 0.5000000 0.2886751 0.1210310), wk = 0.0024390 k( 367) = ( 0.5000000 0.2886751 0.1109451), wk = 0.0024390 k( 368) = ( 0.5000000 0.2886751 0.1008592), wk = 0.0024390 k( 369) = ( 0.5000000 0.2886751 0.0907732), wk = 0.0024390 k( 370) = ( 0.5000000 0.2886751 0.0806873), wk = 0.0024390 k( 371) = ( 0.5000000 0.2886751 0.0706014), wk = 0.0024390 k( 372) = ( 0.5000000 0.2886751 0.0605155), wk = 0.0024390 k( 373) = ( 0.5000000 0.2886751 0.0504296), wk = 0.0024390 k( 374) = ( 0.5000000 0.2886751 0.0403437), wk = 0.0024390 k( 375) = ( 0.5000000 0.2886751 0.0302578), wk = 0.0024390 k( 376) = ( 0.5000000 0.2886751 0.0201718), wk = 0.0024390 k( 377) = ( 0.5000000 0.2886751 0.0100859), 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 0.0100859), wk = 0.0024390 k( 381) = ( 0.3333333 0.5773503 0.0201718), wk = 0.0024390 k( 382) = ( 0.3333333 0.5773503 0.0302578), wk = 0.0024390 k( 383) = ( 0.3333333 0.5773503 0.0403437), wk = 0.0024390 k( 384) = ( 0.3333333 0.5773503 0.0504296), wk = 0.0024390 k( 385) = ( 0.3333333 0.5773503 0.0605155), wk = 0.0024390 k( 386) = ( 0.3333333 0.5773503 0.0706014), wk = 0.0024390 k( 387) = ( 0.3333333 0.5773503 0.0806873), wk = 0.0024390 k( 388) = ( 0.3333333 0.5773503 0.0907732), wk = 0.0024390 k( 389) = ( 0.3333333 0.5773503 0.1008592), wk = 0.0024390 k( 390) = ( 0.3333333 0.5773503 0.1109451), wk = 0.0024390 k( 391) = ( 0.3333333 0.5773503 0.1210310), wk = 0.0024390 k( 392) = ( 0.3333333 0.5773503 0.1311169), wk = 0.0024390 k( 393) = ( 0.3333333 0.5773503 0.1412028), wk = 0.0024390 k( 394) = ( 0.3333333 0.5773503 0.1512887), wk = 0.0024390 k( 395) = ( 0.3333333 0.5773503 0.1613747), wk = 0.0024390 k( 396) = ( 0.3333333 0.5773503 0.1714606), wk = 0.0024390 k( 397) = ( 0.3333333 0.5773503 0.1815465), wk = 0.0024390 k( 398) = ( 0.3333333 0.5773503 0.1916324), wk = 0.0024390 k( 399) = ( 0.3333333 0.5773503 0.2017183), wk = 0.0024390 k( 400) = ( 0.3333333 0.5773503 0.2118042), wk = 0.0024390 k( 401) = ( 0.3333333 0.5773503 0.2218902), wk = 0.0024390 k( 402) = ( 0.3333333 0.5773503 0.2319761), wk = 0.0024390 k( 403) = ( 0.3333333 0.5773503 0.2420620), wk = 0.0024390 k( 404) = ( 0.3333333 0.5773503 0.2521479), wk = 0.0024390 k( 405) = ( 0.3333333 0.5773503 0.2622338), wk = 0.0024390 k( 406) = ( 0.3333333 0.5773503 0.2723197), wk = 0.0024390 k( 407) = ( 0.3333333 0.5773503 0.2824057), wk = 0.0024390 k( 408) = ( 0.3333333 0.5773503 0.2924916), wk = 0.0024390 k( 409) = ( 0.3333333 0.5773503 0.3025775), wk = 0.0024390 k( 410) = ( 0.3333333 0.5773503 0.3126634), 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 0.0505051 -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 0.1515152 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 0.2525253 -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 0.2512821 -0.0000000), wk = 0.0024390 k( 109) = ( 0.2461539 0.2461539 -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 0.1538462 0.0000000), wk = 0.0024390 k( 128) = ( 0.1487179 0.1487180 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 0.0512820 -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 0.0505051 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 0.1515152 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 0.2525253 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 0.2512821 0.5000000), wk = 0.0024390 k( 298) = ( 0.2461539 0.2461539 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 0.1538462 0.5000000), wk = 0.0024390 k( 317) = ( 0.1487179 0.1487180 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 0.0512820 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 0.3225807), 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 0.2741936), 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: 31731 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 14077 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 84, 44) NL pseudopotentials 0.06 Mb ( 42, 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 0.23 Mb ( 84, 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 41.5 secs Computing kpt #: 2 total cpu time spent up to now is 42.6 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 46.3 secs Computing kpt #: 6 total cpu time spent up to now is 47.5 secs Computing kpt #: 7 total cpu time spent up to now is 48.6 secs Computing kpt #: 8 total cpu time spent up to now is 49.8 secs Computing kpt #: 9 total cpu time spent up to now is 50.9 secs Computing kpt #: 10 total cpu time spent up to now is 52.1 secs Computing kpt #: 11 total cpu time spent up to now is 53.4 secs Computing kpt #: 12 total cpu time spent up to now is 54.5 secs Computing kpt #: 13 total cpu time spent up to now is 55.5 secs Computing kpt #: 14 total cpu time spent up to now is 56.4 secs Computing kpt #: 15 total cpu time spent up to now is 57.4 secs Computing kpt #: 16 total cpu time spent up to now is 58.4 secs Computing kpt #: 17 total cpu time spent up to now is 59.4 secs Computing kpt #: 18 total cpu time spent up to now is 60.2 secs Computing kpt #: 19 total cpu time spent up to now is 61.1 secs Computing kpt #: 20 total cpu time spent up to now is 62.0 secs Computing kpt #: 21 total cpu time spent up to now is 63.0 secs Computing kpt #: 22 total cpu time spent up to now is 64.0 secs Computing kpt #: 23 total cpu time spent up to now is 65.0 secs Computing kpt #: 24 total cpu time spent up to now is 66.0 secs Computing kpt #: 25 total cpu time spent up to now is 66.8 secs Computing kpt #: 26 total cpu time spent up to now is 67.7 secs Computing kpt #: 27 total cpu time spent up to now is 68.5 secs Computing kpt #: 28 total cpu time spent up to now is 69.3 secs Computing kpt #: 29 total cpu time spent up to now is 70.2 secs Computing kpt #: 30 total cpu time spent up to now is 71.1 secs Computing kpt #: 31 total cpu time spent up to now is 71.9 secs Computing kpt #: 32 total cpu time spent up to now is 72.6 secs Computing kpt #: 33 total cpu time spent up to now is 73.4 secs Computing kpt #: 34 total cpu time spent up to now is 74.1 secs Computing kpt #: 35 total cpu time spent up to now is 75.0 secs Computing kpt #: 36 total cpu time spent up to now is 75.8 secs Computing kpt #: 37 total cpu time spent up to now is 76.6 secs Computing kpt #: 38 total cpu time spent up to now is 77.3 secs Computing kpt #: 39 total cpu time spent up to now is 78.1 secs Computing kpt #: 40 total cpu time spent up to now is 78.8 secs Computing kpt #: 41 total cpu time spent up to now is 79.6 secs Computing kpt #: 42 total cpu time spent up to now is 80.3 secs Computing kpt #: 43 total cpu time spent up to now is 81.1 secs Computing kpt #: 44 total cpu time spent up to now is 81.9 secs Computing kpt #: 45 total cpu time spent up to now is 82.8 secs Computing kpt #: 46 total cpu time spent up to now is 83.6 secs Computing kpt #: 47 total cpu time spent up to now is 84.3 secs Computing kpt #: 48 total cpu time spent up to now is 85.1 secs Computing kpt #: 49 total cpu time spent up to now is 85.8 secs Computing kpt #: 50 total cpu time spent up to now is 86.5 secs Computing kpt #: 51 total cpu time spent up to now is 87.3 secs Computing kpt #: 52 total cpu time spent up to now is 88.1 secs Computing kpt #: 53 total cpu time spent up to now is 88.8 secs Computing kpt #: 54 total cpu time spent up to now is 89.7 secs Computing kpt #: 55 total cpu time spent up to now is 90.5 secs Computing kpt #: 56 total cpu time spent up to now is 91.2 secs Computing kpt #: 57 total cpu time spent up to now is 91.9 secs Computing kpt #: 58 total cpu time spent up to now is 92.7 secs Computing kpt #: 59 total cpu time spent up to now is 93.4 secs Computing kpt #: 60 total cpu time spent up to now is 94.3 secs Computing kpt #: 61 total cpu time spent up to now is 95.3 secs Computing kpt #: 62 total cpu time spent up to now is 96.2 secs Computing kpt #: 63 total cpu time spent up to now is 97.0 secs Computing kpt #: 64 total cpu time spent up to now is 97.8 secs Computing kpt #: 65 total cpu time spent up to now is 98.6 secs Computing kpt #: 66 total cpu time spent up to now is 99.4 secs Computing kpt #: 67 total cpu time spent up to now is 100.3 secs Computing kpt #: 68 total cpu time spent up to now is 101.2 secs Computing kpt #: 69 total cpu time spent up to now is 101.9 secs Computing kpt #: 70 total cpu time spent up to now is 102.8 secs Computing kpt #: 71 total cpu time spent up to now is 103.6 secs Computing kpt #: 72 total cpu time spent up to now is 104.3 secs Computing kpt #: 73 total cpu time spent up to now is 105.5 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 107.4 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 109.1 secs Computing kpt #: 78 total cpu time spent up to now is 109.8 secs Computing kpt #: 79 total cpu time spent up to now is 110.8 secs Computing kpt #: 80 total cpu time spent up to now is 112.0 secs Computing kpt #: 81 total cpu time spent up to now is 112.8 secs Computing kpt #: 82 total cpu time spent up to now is 113.6 secs Computing kpt #: 83 total cpu time spent up to now is 114.5 secs Computing kpt #: 84 total cpu time spent up to now is 115.2 secs Computing kpt #: 85 total cpu time spent up to now is 115.9 secs Computing kpt #: 86 total cpu time spent up to now is 116.5 secs Computing kpt #: 87 total cpu time spent up to now is 117.2 secs Computing kpt #: 88 total cpu time spent up to now is 118.2 secs Computing kpt #: 89 total cpu time spent up to now is 119.1 secs Computing kpt #: 90 total cpu time spent up to now is 120.1 secs Computing kpt #: 91 total cpu time spent up to now is 120.8 secs Computing kpt #: 92 total cpu time spent up to now is 121.5 secs Computing kpt #: 93 total cpu time spent up to now is 122.1 secs Computing kpt #: 94 total cpu time spent up to now is 122.8 secs Computing kpt #: 95 total cpu time spent up to now is 123.5 secs Computing kpt #: 96 total cpu time spent up to now is 124.2 secs Computing kpt #: 97 total cpu time spent up to now is 124.9 secs Computing kpt #: 98 total cpu time spent up to now is 125.6 secs Computing kpt #: 99 total cpu time spent up to now is 126.4 secs Computing kpt #: 100 total cpu time spent up to now is 127.1 secs Computing kpt #: 101 total cpu time spent up to now is 127.9 secs Computing kpt #: 102 total cpu time spent up to now is 128.6 secs Computing kpt #: 103 total cpu time spent up to now is 129.2 secs Computing kpt #: 104 total cpu time spent up to now is 129.9 secs Computing kpt #: 105 total cpu time spent up to now is 130.6 secs Computing kpt #: 106 total cpu time spent up to now is 131.3 secs Computing kpt #: 107 total cpu time spent up to now is 132.0 secs Computing kpt #: 108 total cpu time spent up to now is 132.8 secs Computing kpt #: 109 total cpu time spent up to now is 133.4 secs Computing kpt #: 110 total cpu time spent up to now is 134.1 secs Computing kpt #: 111 total cpu time spent up to now is 135.1 secs Computing kpt #: 112 total cpu time spent up to now is 135.8 secs Computing kpt #: 113 total cpu time spent up to now is 136.4 secs Computing kpt #: 114 total cpu time spent up to now is 137.1 secs Computing kpt #: 115 total cpu time spent up to now is 137.8 secs Computing kpt #: 116 total cpu time spent up to now is 138.5 secs Computing kpt #: 117 total cpu time spent up to now is 139.3 secs Computing kpt #: 118 total cpu time spent up to now is 140.0 secs Computing kpt #: 119 total cpu time spent up to now is 140.7 secs Computing kpt #: 120 total cpu time spent up to now is 141.5 secs Computing kpt #: 121 total cpu time spent up to now is 142.1 secs Computing kpt #: 122 total cpu time spent up to now is 142.8 secs Computing kpt #: 123 total cpu time spent up to now is 143.5 secs Computing kpt #: 124 total cpu time spent up to now is 144.2 secs Computing kpt #: 125 total cpu time spent up to now is 144.9 secs Computing kpt #: 126 total cpu time spent up to now is 145.7 secs Computing kpt #: 127 total cpu time spent up to now is 146.4 secs Computing kpt #: 128 total cpu time spent up to now is 147.2 secs Computing kpt #: 129 total cpu time spent up to now is 148.0 secs Computing kpt #: 130 total cpu time spent up to now is 149.0 secs Computing kpt #: 131 total cpu time spent up to now is 149.9 secs Computing kpt #: 132 total cpu time spent up to now is 150.8 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 153.2 secs Computing kpt #: 135 total cpu time spent up to now is 154.1 secs Computing kpt #: 136 total cpu time spent up to now is 155.1 secs Computing kpt #: 137 total cpu time spent up to now is 156.0 secs Computing kpt #: 138 total cpu time spent up to now is 157.0 secs Computing kpt #: 139 total cpu time spent up to now is 158.2 secs Computing kpt #: 140 total cpu time spent up to now is 159.5 secs Computing kpt #: 141 total cpu time spent up to now is 160.4 secs Computing kpt #: 142 total cpu time spent up to now is 161.4 secs Computing kpt #: 143 total cpu time spent up to now is 162.4 secs Computing kpt #: 144 total cpu time spent up to now is 163.7 secs Computing kpt #: 145 total cpu time spent up to now is 164.7 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 166.8 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 170.1 secs Computing kpt #: 151 total cpu time spent up to now is 171.4 secs Computing kpt #: 152 total cpu time spent up to now is 172.6 secs Computing kpt #: 153 total cpu time spent up to now is 173.8 secs Computing kpt #: 154 total cpu time spent up to now is 175.0 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 178.5 secs Computing kpt #: 158 total cpu time spent up to now is 179.6 secs Computing kpt #: 159 total cpu time spent up to now is 180.7 secs Computing kpt #: 160 total cpu time spent up to now is 181.7 secs Computing kpt #: 161 total cpu time spent up to now is 182.8 secs Computing kpt #: 162 total cpu time spent up to now is 184.1 secs Computing kpt #: 163 total cpu time spent up to now is 185.3 secs Computing kpt #: 164 total cpu time spent up to now is 186.4 secs Computing kpt #: 165 total cpu time spent up to now is 187.5 secs Computing kpt #: 166 total cpu time spent up to now is 188.7 secs Computing kpt #: 167 total cpu time spent up to now is 189.9 secs Computing kpt #: 168 total cpu time spent up to now is 191.2 secs Computing kpt #: 169 total cpu time spent up to now is 192.4 secs Computing kpt #: 170 total cpu time spent up to now is 193.8 secs Computing kpt #: 171 total cpu time spent up to now is 195.2 secs Computing kpt #: 172 total cpu time spent up to now is 196.7 secs Computing kpt #: 173 total cpu time spent up to now is 198.0 secs Computing kpt #: 174 total cpu time spent up to now is 199.1 secs Computing kpt #: 175 total cpu time spent up to now is 200.3 secs Computing kpt #: 176 total cpu time spent up to now is 201.4 secs Computing kpt #: 177 total cpu time spent up to now is 202.4 secs Computing kpt #: 178 total cpu time spent up to now is 203.3 secs Computing kpt #: 179 total cpu time spent up to now is 204.2 secs Computing kpt #: 180 total cpu time spent up to now is 205.2 secs Computing kpt #: 181 total cpu time spent up to now is 206.4 secs Computing kpt #: 182 total cpu time spent up to now is 207.2 secs Computing kpt #: 183 total cpu time spent up to now is 208.0 secs Computing kpt #: 184 total cpu time spent up to now is 208.9 secs Computing kpt #: 185 total cpu time spent up to now is 209.6 secs Computing kpt #: 186 total cpu time spent up to now is 210.4 secs Computing kpt #: 187 total cpu time spent up to now is 211.1 secs Computing kpt #: 188 total cpu time spent up to now is 211.7 secs Computing kpt #: 189 total cpu time spent up to now is 212.3 secs Computing kpt #: 190 total cpu time spent up to now is 213.2 secs Computing kpt #: 191 total cpu time spent up to now is 213.9 secs Computing kpt #: 192 total cpu time spent up to now is 214.7 secs Computing kpt #: 193 total cpu time spent up to now is 215.5 secs Computing kpt #: 194 total cpu time spent up to now is 216.6 secs Computing kpt #: 195 total cpu time spent up to now is 217.3 secs Computing kpt #: 196 total cpu time spent up to now is 218.3 secs Computing kpt #: 197 total cpu time spent up to now is 218.9 secs Computing kpt #: 198 total cpu time spent up to now is 219.6 secs Computing kpt #: 199 total cpu time spent up to now is 220.3 secs Computing kpt #: 200 total cpu time spent up to now is 221.1 secs Computing kpt #: 201 total cpu time spent up to now is 221.9 secs Computing kpt #: 202 total cpu time spent up to now is 222.8 secs Computing kpt #: 203 total cpu time spent up to now is 223.6 secs Computing kpt #: 204 total cpu time spent up to now is 224.6 secs Computing kpt #: 205 total cpu time spent up to now is 225.5 secs Computing kpt #: 206 total cpu time spent up to now is 226.4 secs Computing kpt #: 207 total cpu time spent up to now is 227.1 secs Computing kpt #: 208 total cpu time spent up to now is 227.9 secs Computing kpt #: 209 total cpu time spent up to now is 228.7 secs Computing kpt #: 210 total cpu time spent up to now is 229.5 secs Computing kpt #: 211 total cpu time spent up to now is 230.5 secs Computing kpt #: 212 total cpu time spent up to now is 231.3 secs Computing kpt #: 213 total cpu time spent up to now is 232.2 secs Computing kpt #: 214 total cpu time spent up to now is 233.1 secs Computing kpt #: 215 total cpu time spent up to now is 233.8 secs Computing kpt #: 216 total cpu time spent up to now is 234.6 secs Computing kpt #: 217 total cpu time spent up to now is 235.5 secs Computing kpt #: 218 total cpu time spent up to now is 236.4 secs Computing kpt #: 219 total cpu time spent up to now is 237.2 secs Computing kpt #: 220 total cpu time spent up to now is 238.0 secs Computing kpt #: 221 total cpu time spent up to now is 238.7 secs Computing kpt #: 222 total cpu time spent up to now is 239.4 secs Computing kpt #: 223 total cpu time spent up to now is 240.1 secs Computing kpt #: 224 total cpu time spent up to now is 240.8 secs Computing kpt #: 225 total cpu time spent up to now is 241.6 secs Computing kpt #: 226 total cpu time spent up to now is 242.3 secs Computing kpt #: 227 total cpu time spent up to now is 243.0 secs Computing kpt #: 228 total cpu time spent up to now is 243.7 secs Computing kpt #: 229 total cpu time spent up to now is 244.4 secs Computing kpt #: 230 total cpu time spent up to now is 245.4 secs Computing kpt #: 231 total cpu time spent up to now is 246.3 secs Computing kpt #: 232 total cpu time spent up to now is 247.2 secs Computing kpt #: 233 total cpu time spent up to now is 247.9 secs Computing kpt #: 234 total cpu time spent up to now is 248.5 secs Computing kpt #: 235 total cpu time spent up to now is 249.2 secs Computing kpt #: 236 total cpu time spent up to now is 249.8 secs Computing kpt #: 237 total cpu time spent up to now is 250.5 secs Computing kpt #: 238 total cpu time spent up to now is 251.1 secs Computing kpt #: 239 total cpu time spent up to now is 251.8 secs Computing kpt #: 240 total cpu time spent up to now is 252.9 secs Computing kpt #: 241 total cpu time spent up to now is 253.6 secs Computing kpt #: 242 total cpu time spent up to now is 254.4 secs Computing kpt #: 243 total cpu time spent up to now is 255.2 secs Computing kpt #: 244 total cpu time spent up to now is 255.8 secs Computing kpt #: 245 total cpu time spent up to now is 256.5 secs Computing kpt #: 246 total cpu time spent up to now is 257.2 secs Computing kpt #: 247 total cpu time spent up to now is 258.1 secs Computing kpt #: 248 total cpu time spent up to now is 258.9 secs Computing kpt #: 249 total cpu time spent up to now is 259.8 secs Computing kpt #: 250 total cpu time spent up to now is 260.8 secs Computing kpt #: 251 total cpu time spent up to now is 261.5 secs Computing kpt #: 252 total cpu time spent up to now is 262.2 secs Computing kpt #: 253 total cpu time spent up to now is 262.8 secs Computing kpt #: 254 total cpu time spent up to now is 263.4 secs Computing kpt #: 255 total cpu time spent up to now is 264.1 secs Computing kpt #: 256 total cpu time spent up to now is 264.8 secs Computing kpt #: 257 total cpu time spent up to now is 265.5 secs Computing kpt #: 258 total cpu time spent up to now is 266.5 secs Computing kpt #: 259 total cpu time spent up to now is 267.2 secs Computing kpt #: 260 total cpu time spent up to now is 267.8 secs Computing kpt #: 261 total cpu time spent up to now is 268.5 secs Computing kpt #: 262 total cpu time spent up to now is 269.1 secs Computing kpt #: 263 total cpu time spent up to now is 269.9 secs Computing kpt #: 264 total cpu time spent up to now is 270.7 secs Computing kpt #: 265 total cpu time spent up to now is 271.4 secs Computing kpt #: 266 total cpu time spent up to now is 272.1 secs Computing kpt #: 267 total cpu time spent up to now is 272.8 secs Computing kpt #: 268 total cpu time spent up to now is 273.6 secs Computing kpt #: 269 total cpu time spent up to now is 274.4 secs Computing kpt #: 270 total cpu time spent up to now is 275.2 secs Computing kpt #: 271 total cpu time spent up to now is 276.0 secs Computing kpt #: 272 total cpu time spent up to now is 277.1 secs Computing kpt #: 273 total cpu time spent up to now is 278.0 secs Computing kpt #: 274 total cpu time spent up to now is 278.9 secs Computing kpt #: 275 total cpu time spent up to now is 279.7 secs Computing kpt #: 276 total cpu time spent up to now is 280.5 secs Computing kpt #: 277 total cpu time spent up to now is 281.3 secs Computing kpt #: 278 total cpu time spent up to now is 282.2 secs Computing kpt #: 279 total cpu time spent up to now is 283.2 secs Computing kpt #: 280 total cpu time spent up to now is 284.0 secs Computing kpt #: 281 total cpu time spent up to now is 284.8 secs Computing kpt #: 282 total cpu time spent up to now is 285.6 secs Computing kpt #: 283 total cpu time spent up to now is 286.5 secs Computing kpt #: 284 total cpu time spent up to now is 287.3 secs Computing kpt #: 285 total cpu time spent up to now is 288.2 secs Computing kpt #: 286 total cpu time spent up to now is 289.1 secs Computing kpt #: 287 total cpu time spent up to now is 289.8 secs Computing kpt #: 288 total cpu time spent up to now is 290.6 secs Computing kpt #: 289 total cpu time spent up to now is 291.4 secs Computing kpt #: 290 total cpu time spent up to now is 292.2 secs Computing kpt #: 291 total cpu time spent up to now is 293.6 secs Computing kpt #: 292 total cpu time spent up to now is 294.4 secs Computing kpt #: 293 total cpu time spent up to now is 295.1 secs Computing kpt #: 294 total cpu time spent up to now is 295.9 secs Computing kpt #: 295 total cpu time spent up to now is 296.6 secs Computing kpt #: 296 total cpu time spent up to now is 297.3 secs Computing kpt #: 297 total cpu time spent up to now is 298.1 secs Computing kpt #: 298 total cpu time spent up to now is 298.9 secs Computing kpt #: 299 total cpu time spent up to now is 299.8 secs Computing kpt #: 300 total cpu time spent up to now is 300.7 secs Computing kpt #: 301 total cpu time spent up to now is 301.5 secs Computing kpt #: 302 total cpu time spent up to now is 302.4 secs Computing kpt #: 303 total cpu time spent up to now is 303.1 secs Computing kpt #: 304 total cpu time spent up to now is 304.2 secs Computing kpt #: 305 total cpu time spent up to now is 305.0 secs Computing kpt #: 306 total cpu time spent up to now is 306.0 secs Computing kpt #: 307 total cpu time spent up to now is 306.8 secs Computing kpt #: 308 total cpu time spent up to now is 307.6 secs Computing kpt #: 309 total cpu time spent up to now is 308.3 secs Computing kpt #: 310 total cpu time spent up to now is 309.0 secs Computing kpt #: 311 total cpu time spent up to now is 310.0 secs Computing kpt #: 312 total cpu time spent up to now is 310.7 secs Computing kpt #: 313 total cpu time spent up to now is 311.6 secs Computing kpt #: 314 total cpu time spent up to now is 312.5 secs Computing kpt #: 315 total cpu time spent up to now is 313.2 secs Computing kpt #: 316 total cpu time spent up to now is 313.9 secs Computing kpt #: 317 total cpu time spent up to now is 314.5 secs Computing kpt #: 318 total cpu time spent up to now is 315.3 secs Computing kpt #: 319 total cpu time spent up to now is 316.1 secs Computing kpt #: 320 total cpu time spent up to now is 317.0 secs Computing kpt #: 321 total cpu time spent up to now is 317.8 secs Computing kpt #: 322 total cpu time spent up to now is 318.5 secs Computing kpt #: 323 total cpu time spent up to now is 319.5 secs Computing kpt #: 324 total cpu time spent up to now is 320.4 secs Computing kpt #: 325 total cpu time spent up to now is 321.2 secs Computing kpt #: 326 total cpu time spent up to now is 322.0 secs Computing kpt #: 327 total cpu time spent up to now is 322.7 secs Computing kpt #: 328 total cpu time spent up to now is 323.6 secs Computing kpt #: 329 total cpu time spent up to now is 324.5 secs Computing kpt #: 330 total cpu time spent up to now is 325.3 secs Computing kpt #: 331 total cpu time spent up to now is 326.3 secs Computing kpt #: 332 total cpu time spent up to now is 327.3 secs Computing kpt #: 333 total cpu time spent up to now is 328.3 secs Computing kpt #: 334 total cpu time spent up to now is 329.1 secs Computing kpt #: 335 total cpu time spent up to now is 329.8 secs Computing kpt #: 336 total cpu time spent up to now is 330.5 secs Computing kpt #: 337 total cpu time spent up to now is 331.6 secs Computing kpt #: 338 total cpu time spent up to now is 332.4 secs Computing kpt #: 339 total cpu time spent up to now is 333.3 secs Computing kpt #: 340 total cpu time spent up to now is 334.1 secs Computing kpt #: 341 total cpu time spent up to now is 335.1 secs Computing kpt #: 342 total cpu time spent up to now is 336.0 secs Computing kpt #: 343 total cpu time spent up to now is 336.8 secs Computing kpt #: 344 total cpu time spent up to now is 337.5 secs Computing kpt #: 345 total cpu time spent up to now is 338.1 secs Computing kpt #: 346 total cpu time spent up to now is 338.7 secs Computing kpt #: 347 total cpu time spent up to now is 339.6 secs Computing kpt #: 348 total cpu time spent up to now is 340.5 secs Computing kpt #: 349 total cpu time spent up to now is 341.1 secs Computing kpt #: 350 total cpu time spent up to now is 341.7 secs Computing kpt #: 351 total cpu time spent up to now is 342.4 secs Computing kpt #: 352 total cpu time spent up to now is 343.3 secs Computing kpt #: 353 total cpu time spent up to now is 344.0 secs Computing kpt #: 354 total cpu time spent up to now is 344.7 secs Computing kpt #: 355 total cpu time spent up to now is 345.4 secs Computing kpt #: 356 total cpu time spent up to now is 346.2 secs Computing kpt #: 357 total cpu time spent up to now is 346.9 secs Computing kpt #: 358 total cpu time spent up to now is 347.7 secs Computing kpt #: 359 total cpu time spent up to now is 348.6 secs Computing kpt #: 360 total cpu time spent up to now is 349.4 secs Computing kpt #: 361 total cpu time spent up to now is 350.1 secs Computing kpt #: 362 total cpu time spent up to now is 350.8 secs Computing kpt #: 363 total cpu time spent up to now is 351.5 secs Computing kpt #: 364 total cpu time spent up to now is 352.6 secs Computing kpt #: 365 total cpu time spent up to now is 353.3 secs Computing kpt #: 366 total cpu time spent up to now is 354.0 secs Computing kpt #: 367 total cpu time spent up to now is 354.7 secs Computing kpt #: 368 total cpu time spent up to now is 355.4 secs Computing kpt #: 369 total cpu time spent up to now is 356.1 secs Computing kpt #: 370 total cpu time spent up to now is 356.9 secs Computing kpt #: 371 total cpu time spent up to now is 357.6 secs Computing kpt #: 372 total cpu time spent up to now is 358.5 secs Computing kpt #: 373 total cpu time spent up to now is 359.3 secs Computing kpt #: 374 total cpu time spent up to now is 360.0 secs Computing kpt #: 375 total cpu time spent up to now is 360.8 secs Computing kpt #: 376 total cpu time spent up to now is 361.7 secs Computing kpt #: 377 total cpu time spent up to now is 362.4 secs Computing kpt #: 378 total cpu time spent up to now is 363.1 secs Computing kpt #: 379 total cpu time spent up to now is 363.9 secs Computing kpt #: 380 total cpu time spent up to now is 364.6 secs Computing kpt #: 381 total cpu time spent up to now is 365.4 secs Computing kpt #: 382 total cpu time spent up to now is 366.1 secs Computing kpt #: 383 total cpu time spent up to now is 366.9 secs Computing kpt #: 384 total cpu time spent up to now is 367.6 secs Computing kpt #: 385 total cpu time spent up to now is 368.2 secs Computing kpt #: 386 total cpu time spent up to now is 368.9 secs Computing kpt #: 387 total cpu time spent up to now is 369.6 secs Computing kpt #: 388 total cpu time spent up to now is 370.3 secs Computing kpt #: 389 total cpu time spent up to now is 371.1 secs Computing kpt #: 390 total cpu time spent up to now is 371.9 secs Computing kpt #: 391 total cpu time spent up to now is 372.6 secs Computing kpt #: 392 total cpu time spent up to now is 373.3 secs Computing kpt #: 393 total cpu time spent up to now is 374.0 secs Computing kpt #: 394 total cpu time spent up to now is 374.7 secs Computing kpt #: 395 total cpu time spent up to now is 375.4 secs Computing kpt #: 396 total cpu time spent up to now is 376.2 secs Computing kpt #: 397 total cpu time spent up to now is 376.9 secs Computing kpt #: 398 total cpu time spent up to now is 377.7 secs Computing kpt #: 399 total cpu time spent up to now is 378.7 secs Computing kpt #: 400 total cpu time spent up to now is 379.6 secs Computing kpt #: 401 total cpu time spent up to now is 380.7 secs Computing kpt #: 402 total cpu time spent up to now is 381.5 secs Computing kpt #: 403 total cpu time spent up to now is 382.3 secs Computing kpt #: 404 total cpu time spent up to now is 383.1 secs Computing kpt #: 405 total cpu time spent up to now is 383.9 secs Computing kpt #: 406 total cpu time spent up to now is 384.9 secs Computing kpt #: 407 total cpu time spent up to now is 385.9 secs Computing kpt #: 408 total cpu time spent up to now is 386.9 secs Computing kpt #: 409 total cpu time spent up to now is 387.8 secs Computing kpt #: 410 total cpu time spent up to now is 388.6 secs ethr = 2.78E-11, avg # of iterations = 25.9 total cpu time spent up to now is 388.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -10.8233 -10.8233 -10.0937 -10.0937 1.4914 1.4914 1.5638 1.5638 1.6511 1.6511 1.6664 1.6664 1.6999 1.6999 1.8337 1.8337 2.7677 2.7677 2.7819 2.7819 2.8498 2.8498 3.0608 3.0608 3.3328 3.3328 6.4506 6.4506 6.5095 6.5095 7.1651 7.1651 7.2474 7.2474 7.2817 7.2817 8.0505 8.0505 12.4456 12.4456 15.5087 15.5087 20.0087 20.0087 k = 0.0089 0.0052-0.0000 ( 1781 PWs) bands (ev): -10.8229 -10.8229 -10.0936 -10.0934 1.4914 1.4914 1.5608 1.5669 1.6512 1.6512 1.6663 1.6678 1.6980 1.7021 1.8335 1.8343 2.7660 2.7693 2.7816 2.7816 2.8489 2.8515 3.0610 3.0610 3.3325 3.3330 6.4485 6.4485 6.5071 6.5078 7.1629 7.1659 7.2416 7.2422 7.2769 7.2778 8.0610 8.0611 12.4486 12.4498 15.5086 15.5087 20.0028 20.0047 k = 0.0179 0.0103-0.0000 ( 1777 PWs) bands (ev): -10.8216 -10.8216 -10.0932 -10.0927 1.4912 1.4912 1.5578 1.5700 1.6514 1.6515 1.6677 1.6705 1.6964 1.7046 1.8337 1.8352 2.7642 2.7707 2.7807 2.7808 2.8488 2.8539 3.0615 3.0615 3.3320 3.3331 6.4420 6.4422 6.5008 6.5022 7.1587 7.1655 7.2197 7.2234 7.2695 7.2696 8.0910 8.0912 12.4587 12.4610 15.5085 15.5086 19.9847 19.9885 k = 0.0268 0.0155-0.0000 ( 1773 PWs) bands (ev): -10.8193 -10.8193 -10.0923 -10.0916 1.4907 1.4908 1.5549 1.5730 1.6519 1.6521 1.6703 1.6744 1.6952 1.7074 1.8341 1.8364 2.7622 2.7717 2.7791 2.7796 2.8494 2.8569 3.0623 3.0623 3.3313 3.3331 6.4304 6.4310 6.4913 6.4930 7.1497 7.1639 7.1805 7.1918 7.2624 7.2642 8.1373 8.1375 12.4758 12.4793 15.5082 15.5084 19.9494 19.9545 k = 0.0357 0.0206-0.0000 ( 1773 PWs) bands (ev): -10.8162 -10.8162 -10.0910 -10.0901 1.4899 1.4900 1.5521 1.5760 1.6525 1.6528 1.6742 1.6796 1.6945 1.7104 1.8347 1.8379 2.7601 2.7719 2.7771 2.7786 2.8506 2.8605 3.0634 3.0635 3.3305 3.3329 6.4132 6.4145 6.4794 6.4810 7.1216 7.1294 7.1612 7.1659 7.2561 7.2593 8.1961 8.1962 12.4999 12.5044 15.5078 15.5082 19.8933 19.8987 k = 0.0446 0.0258-0.0000 ( 1773 PWs) bands (ev): -10.8123 -10.8123 -10.0894 -10.0882 1.4886 1.4889 1.5497 1.5790 1.6534 1.6538 1.6792 1.6856 1.6947 1.7137 1.8357 1.8397 2.7579 2.7707 2.7745 2.7783 2.8524 2.8646 3.0649 3.0651 3.3295 3.3327 6.3896 6.3919 6.4658 6.4669 7.0701 7.0706 7.1544 7.1574 7.2493 7.2539 8.2641 8.2642 12.5306 12.5362 15.5073 15.5078 19.8173 19.8218 k = 0.0536 0.0309-0.0000 ( 1765 PWs) bands (ev): -10.8074 -10.8074 -10.0874 -10.0859 1.4869 1.4872 1.5478 1.5820 1.6547 1.6550 1.6852 1.6910 1.6974 1.7175 1.8370 1.8421 2.7557 2.7684 2.7718 2.7790 2.8548 2.8691 3.0668 3.0671 3.3284 3.3324 6.3596 6.3629 6.4508 6.4513 7.0069 7.0096 7.1459 7.1526 7.2418 7.2475 8.3387 8.3391 12.5678 12.5744 15.5068 15.5073 19.7250 19.7279 k = 0.0625 0.0361-0.0000 ( 1765 PWs) bands (ev): -10.8017 -10.8017 -10.0850 -10.0833 1.4844 1.4848 1.5463 1.5851 1.6563 1.6564 1.6920 1.6937 1.7047 1.7219 1.8386 1.8449 2.7532 2.7650 2.7686 2.7799 2.8576 2.8739 3.0690 3.0695 3.3270 3.3320 6.3234 6.3276 6.4343 6.4345 6.9401 6.9452 7.1372 7.1467 7.2334 7.2401 8.4185 8.4192 12.6112 12.6187 15.5061 15.5067 19.6197 19.6207 k = 0.0714 0.0412-0.0000 ( 1769 PWs) bands (ev): -10.7952 -10.7952 -10.0823 -10.0803 1.4811 1.4814 1.5455 1.5882 1.6579 1.6583 1.6957 1.6993 1.7146 1.7272 1.8406 1.8481 2.7506 2.7611 2.7653 2.7810 2.8607 2.8788 3.0715 3.0722 3.3255 3.3316 6.2812 6.2861 6.4159 6.4166 6.8716 6.8787 7.1279 7.1397 7.2239 7.2316 8.5023 8.5033 12.6605 12.6689 15.5052 15.5059 19.5033 19.5044 k = 0.0804 0.0464-0.0000 ( 1769 PWs) bands (ev): -10.7878 -10.7878 -10.0792 -10.0770 1.4769 1.4770 1.5455 1.5916 1.6595 1.6606 1.6982 1.7068 1.7260 1.7338 1.8430 1.8520 2.7479 2.7567 2.7619 2.7822 2.8641 2.8841 3.0744 3.0754 3.3237 3.3311 6.2334 6.2388 6.3959 6.3972 6.8022 6.8111 7.1176 7.1316 7.2133 7.2220 8.5893 8.5905 12.7154 12.7246 15.5043 15.5050 19.3782 19.3813 k = 0.0893 0.0515-0.0000 ( 1769 PWs) bands (ev): -10.7797 -10.7796 -10.0757 -10.0733 1.4717 1.4717 1.5461 1.5952 1.6611 1.6632 1.7014 1.7141 1.7387 1.7421 1.8460 1.8565 2.7450 2.7519 2.7586 2.7835 2.8679 2.8895 3.0778 3.0790 3.3218 3.3307 6.1806 6.1862 6.3744 6.3760 6.7325 6.7433 7.1064 7.1225 7.2017 7.2113 8.6788 8.6804 12.7755 12.7854 15.5032 15.5040 19.2472 19.2523 k = 0.0982 0.0567-0.0000 ( 1769 PWs) bands (ev): -10.7707 -10.7706 -10.0720 -10.0694 1.4655 1.4656 1.5474 1.5991 1.6628 1.6661 1.7053 1.7208 1.7523 1.7526 1.8494 1.8617 2.7418 2.7468 2.7554 2.7849 2.8718 2.8949 3.0817 3.0831 3.3197 3.3304 6.1229 6.1286 6.3511 6.3531 6.6629 6.6755 7.0941 7.1123 7.1891 7.1995 8.7706 8.7725 12.8403 12.8509 15.5019 15.5028 19.1119 19.1189 k = 0.1071 0.0619-0.0000 ( 1763 PWs) bands (ev): -10.7609 -10.7609 -10.0679 -10.0651 1.4584 1.4585 1.5494 1.6034 1.6646 1.6693 1.7099 1.7272 1.7646 1.7677 1.8534 1.8677 2.7383 2.7413 2.7524 2.7863 2.8760 2.9005 3.0862 3.0878 3.3175 3.3302 6.0609 6.0666 6.3263 6.3284 6.5937 6.6081 7.0808 7.1010 7.1754 7.1867 8.8643 8.8665 12.9096 12.9208 15.5005 15.5014 18.9736 18.9823 k = 0.1161 0.0670-0.0000 ( 1763 PWs) bands (ev): -10.7504 -10.7503 -10.0636 -10.0605 1.4504 1.4505 1.5517 1.6079 1.6662 1.6727 1.7153 1.7333 1.7785 1.7839 1.8580 1.8745 2.7346 2.7354 2.7498 2.7879 2.8802 2.9061 3.0911 3.0928 3.3150 3.3301 5.9950 6.0004 6.2998 6.3020 6.5251 6.5411 7.0665 7.0887 7.1607 7.1727 8.9597 8.9622 12.9829 12.9946 15.4988 15.4998 18.8334 18.8436 k = 0.1250 0.0722-0.0000 ( 1763 PWs) bands (ev): -10.7392 -10.7391 -10.0590 -10.0557 1.4417 1.4418 1.5544 1.6126 1.6679 1.6763 1.7214 1.7394 1.7940 1.8011 1.8633 1.8822 2.7292 2.7305 2.7474 2.7895 2.8846 2.9117 3.0966 3.0983 3.3123 3.3302 5.9255 5.9306 6.2717 6.2737 6.4572 6.4747 7.0511 7.0753 7.1451 7.1578 9.0565 9.0594 13.0598 13.0719 15.4970 15.4980 18.6920 18.7035 k = 0.1339 0.0773-0.0000 ( 1761 PWs) bands (ev): -10.7273 -10.7271 -10.0541 -10.0507 1.4322 1.4327 1.5574 1.6174 1.6696 1.6801 1.7282 1.7456 1.8108 1.8190 1.8692 1.8909 2.7227 2.7262 2.7455 2.7914 2.8889 2.9172 3.1027 3.1041 3.3094 3.3305 5.8529 5.8576 6.2421 6.2434 6.3904 6.4088 7.0346 7.0608 7.1286 7.1419 9.1548 9.1580 13.1398 13.1523 15.4948 15.4960 18.5504 18.5630 k = 0.1429 0.0825-0.0000 ( 1755 PWs) bands (ev): -10.7147 -10.7145 -10.0490 -10.0454 1.4223 1.4231 1.5604 1.6221 1.6715 1.6842 1.7357 1.7521 1.8289 1.8377 1.8760 1.9007 2.7159 2.7218 2.7439 2.7934 2.8933 2.9226 3.1095 3.1103 3.3063 3.3313 5.7776 5.7819 6.2107 6.2110 6.3249 6.3435 7.0170 7.0452 7.1111 7.1250 9.2542 9.2578 13.2226 13.2353 15.4924 15.4936 18.4090 18.4226 k = 0.1518 0.0876-0.0000 ( 1755 PWs) bands (ev): -10.7014 -10.7012 -10.0437 -10.0399 1.4117 1.4131 1.5635 1.6264 1.6738 1.6884 1.7437 1.7588 1.8479 1.8568 1.8836 1.9118 2.7087 2.7172 2.7426 2.7955 2.8976 2.9279 3.1169 3.1170 3.3030 3.3324 5.7000 5.7039 6.1750 6.1783 6.2615 6.2787 6.9984 7.0285 7.0928 7.1073 9.3548 9.3587 13.3077 13.3205 15.4898 15.4910 18.2683 18.2828 k = 0.1607 0.0928-0.0000 ( 1753 PWs) bands (ev): -10.6875 -10.6873 -10.0382 -10.0342 1.4007 1.4028 1.5666 1.6302 1.6767 1.6927 1.7524 1.7659 1.8677 1.8760 1.8922 1.9244 2.7011 2.7125 2.7416 2.7979 2.9019 2.9332 3.1236 3.1253 3.2996 3.3342 5.6206 5.6239 6.1342 6.1438 6.2023 6.2147 6.9787 7.0108 7.0737 7.0886 9.4564 9.4607 13.3946 13.4075 15.4867 15.4880 18.1289 18.1440 k = 0.1696 0.0979-0.0000 ( 1757 PWs) bands (ev): -10.6730 -10.6728 -10.0326 -10.0284 1.3895 1.3923 1.5696 1.6331 1.6803 1.6972 1.7616 1.7733 1.8874 1.8947 1.9027 1.9390 2.6932 2.7078 2.7409 2.8005 2.9059 2.9383 3.1304 3.1343 3.2959 3.3367 5.5395 5.5423 6.0856 6.1069 6.1499 6.1523 6.9580 6.9919 7.0538 7.0692 9.5590 9.5636 13.4829 13.4958 15.4833 15.4845 17.9911 18.0067 k = 0.1786 0.1031-0.0000 ( 1757 PWs) bands (ev): -10.6580 -10.6577 -10.0268 -10.0225 1.3781 1.3818 1.5723 1.6352 1.6849 1.7020 1.7714 1.7811 1.9039 1.9127 1.9181 1.9559 2.6850 2.7032 2.7406 2.8033 2.9098 2.9433 3.1372 3.1441 3.2921 3.3399 5.4574 5.4596 6.0292 6.0642 6.0948 6.1045 6.9362 6.9720 7.0331 7.0490 9.6624 9.6674 13.5721 13.5850 15.4795 15.4807 17.8551 17.8712 k = 0.1875 0.1083-0.0000 ( 1763 PWs) bands (ev): -10.6424 -10.6421 -10.0209 -10.0165 1.3666 1.3711 1.5749 1.6362 1.6903 1.7069 1.7817 1.7893 1.9164 1.9295 1.9390 1.9750 2.6764 2.6986 2.7407 2.8064 2.9136 2.9483 3.1437 3.1545 3.2883 3.3442 5.3744 5.3760 5.9681 6.0102 6.0479 6.0632 6.9134 6.9510 7.0118 7.0281 9.7667 9.7720 13.6619 13.6746 15.4751 15.4763 17.7213 17.7378 k = 0.1964 0.1134-0.0000 ( 1764 PWs) bands (ev): -10.6264 -10.6260 -10.0150 -10.0104 1.3553 1.3607 1.5771 1.6364 1.6965 1.7120 1.7924 1.7978 1.9280 1.9456 1.9625 1.9962 2.6675 2.6943 2.7412 2.8098 2.9171 2.9531 3.1500 3.1659 3.2842 3.3496 5.2909 5.2917 5.9048 5.9494 6.0070 6.0232 6.8895 6.9289 6.9899 7.0065 9.8716 9.8774 13.7517 13.7641 15.4702 15.4713 17.5900 17.6066 k = 0.2054 0.1186-0.0000 ( 1768 PWs) bands (ev): -10.6099 -10.6095 -10.0090 -10.0042 1.3441 1.3503 1.5791 1.6359 1.7033 1.7173 1.8035 1.8068 1.9397 1.9611 1.9871 2.0189 2.6583 2.6902 2.7420 2.8134 2.9203 2.9579 3.1558 3.1781 3.2801 3.3562 5.2071 5.2072 5.8407 5.8868 5.9673 5.9836 6.8647 6.9058 6.9673 6.9843 9.9773 9.9834 13.8410 13.8531 15.4647 15.4657 17.4613 17.4780 k = 0.2143 0.1237-0.0000 ( 1768 PWs) bands (ev): -10.5930 -10.5926 -10.0029 -9.9981 1.3332 1.3403 1.5807 1.6348 1.7105 1.7229 1.8151 1.8161 1.9520 1.9765 2.0126 2.0426 2.6489 2.6866 2.7433 2.8173 2.9233 2.9626 3.1610 3.1909 3.2759 3.3641 5.1225 5.1234 5.7762 5.8238 5.9276 5.9439 6.8388 6.8816 6.9443 6.9617 10.0835 10.0900 13.9295 13.9411 15.4584 15.4594 17.3354 17.3522 k = 0.2232 0.1289-0.0000 ( 1758 PWs) bands (ev): -10.5758 -10.5752 -9.9969 -9.9919 1.3226 1.3307 1.5820 1.6333 1.7181 1.7287 1.8259 1.8273 1.9649 1.9921 2.0389 2.0669 2.6392 2.6836 2.7450 2.8217 2.9261 2.9674 3.1656 3.2044 3.2719 3.3735 5.0382 5.0401 5.7115 5.7608 5.8876 5.9039 6.8120 6.8564 6.9209 6.9386 10.1902 10.1971 14.0165 14.0277 15.4513 15.4522 17.2125 17.2293 k = 0.2321 0.1340-0.0000 ( 1758 PWs) bands (ev): -10.5582 -10.5576 -9.9909 -9.9858 1.3125 1.3214 1.5829 1.6313 1.7258 1.7346 1.8359 1.8397 1.9782 2.0076 2.0657 2.0914 2.6292 2.6811 2.7472 2.8262 2.9286 2.9722 3.1696 3.2182 3.2680 3.3843 4.9542 4.9573 5.6470 5.6980 5.8472 5.8637 6.7843 6.8302 6.8971 6.9150 10.2974 10.3047 14.1017 14.1123 15.4433 15.4441 17.0928 17.1095 k = 0.2411 0.1392-0.0000 ( 1754 PWs) bands (ev): -10.5403 -10.5397 -9.9850 -9.9798 1.3029 1.3127 1.5835 1.6292 1.7336 1.7407 1.8463 1.8525 1.9920 2.0234 2.0931 2.1160 2.6191 2.6795 2.7498 2.8310 2.9309 2.9770 3.1728 3.2318 3.2650 3.3963 4.8708 4.8753 5.5827 5.6354 5.8066 5.8231 6.7557 6.8030 6.8730 6.8912 10.4049 10.4126 14.1845 14.1944 15.4342 15.4348 16.9765 16.9931 k = 0.2500 0.1443-0.0000 ( 1752 PWs) bands (ev): -10.5222 -10.5215 -9.9791 -9.9738 1.2939 1.3045 1.5837 1.6267 1.7413 1.7469 1.8571 1.8656 2.0061 2.0393 2.1210 2.1401 2.6086 2.6789 2.7528 2.8361 2.9329 2.9819 3.1755 3.2429 3.2649 3.4095 4.7883 4.7945 5.5186 5.5731 5.7657 5.7824 6.7262 6.7748 6.8486 6.8670 10.5128 10.5208 14.2644 14.2737 15.4238 15.4242 16.8638 16.8801 k = 0.2589 0.1495-0.0000 ( 1752 PWs) bands (ev): -10.5040 -10.5032 -9.9734 -9.9680 1.2855 1.2969 1.5836 1.6241 1.7489 1.7531 1.8681 1.8790 2.0207 2.0555 2.1491 2.1636 2.5980 2.6793 2.7563 2.8414 2.9346 2.9870 3.1776 3.2467 3.2725 3.4237 4.7069 4.7150 5.4549 5.5112 5.7246 5.7415 6.6958 6.7457 6.8241 6.8428 10.6208 10.6292 14.3411 14.3496 15.4119 15.4121 16.7549 16.7709 k = 0.2679 0.1546-0.0000 ( 1748 PWs) bands (ev): -10.4855 -10.4847 -9.9678 -9.9624 1.2779 1.2899 1.5833 1.6213 1.7564 1.7593 1.8795 1.8927 2.0356 2.0718 2.1774 2.1861 2.5872 2.6811 2.7604 2.8470 2.9362 2.9922 3.1793 3.2450 3.2858 3.4387 4.6269 4.6373 5.3915 5.4497 5.6836 5.7006 6.6647 6.7158 6.7996 6.8184 10.7290 10.7378 14.4139 14.4216 15.3982 15.3982 16.6500 16.6657 k = 0.2768 0.1598-0.0000 ( 1744 PWs) bands (ev): -10.4670 -10.4661 -9.9624 -9.9570 1.2710 1.2838 1.5826 1.6184 1.7637 1.7655 1.8912 1.9067 2.0507 2.0882 2.2059 2.2075 2.5763 2.6844 2.7648 2.8527 2.9375 2.9976 3.1809 3.2419 3.3007 3.4543 4.5486 4.5616 5.3287 5.3887 5.6426 5.6598 6.6329 6.6850 6.7751 6.7939 10.8372 10.8464 14.4825 14.4894 15.3823 15.3825 16.5496 16.5648 k = 0.2857 0.1650-0.0000 ( 1744 PWs) bands (ev): -10.4484 -10.4474 -9.9572 -9.9517 1.2649 1.2784 1.5817 1.6154 1.7707 1.7716 1.9032 1.9210 2.0660 2.1046 2.2272 2.2343 2.5653 2.6895 2.7697 2.8585 2.9386 3.0032 3.1822 3.2386 3.3155 3.4699 4.4723 4.4883 5.2665 5.3284 5.6017 5.6190 6.6004 6.6535 6.7506 6.7696 10.9455 10.9550 14.5465 14.5525 15.3638 15.3642 16.4539 16.4686 k = 0.2946 0.1701-0.0000 ( 1754 PWs) bands (ev): -10.4298 -10.4288 -9.9522 -9.9467 1.2596 1.2738 1.5805 1.6122 1.7773 1.7775 1.9153 1.9353 2.0813 2.1209 2.2451 2.2623 2.5545 2.6964 2.7749 2.8643 2.9394 3.0089 3.1836 3.2354 3.3299 3.4853 4.3982 4.4177 5.2050 5.2688 5.5612 5.5786 6.5673 6.6213 6.7264 6.7453 11.0536 11.0634 14.6054 14.6107 15.3424 15.3430 16.3634 16.3774 k = 0.3036 0.1753-0.0000 ( 1746 PWs) bands (ev): -10.4113 -10.4102 -9.9475 -9.9420 1.2554 1.2701 1.5791 1.6090 1.7833 1.7837 1.9279 1.9501 2.0969 2.1373 2.2609 2.2898 2.5440 2.7055 2.7807 2.8702 2.9403 3.0152 3.1854 3.2327 3.3433 3.5003 4.3269 4.3505 5.1443 5.2101 5.5211 5.5385 6.5337 6.5884 6.7024 6.7212 11.1615 11.1717 14.6592 14.6637 15.3177 15.3183 16.2786 16.2919 k = 0.3125 0.1804-0.0000 ( 1748 PWs) bands (ev): -10.3929 -10.3917 -9.9431 -9.9376 1.2520 1.2673 1.5774 1.6057 1.7889 1.7896 1.9407 1.9650 2.1124 2.1534 2.2745 2.3165 2.5341 2.7165 2.7869 2.8760 2.9409 3.0215 3.1876 3.2304 3.3553 3.5139 4.2588 4.2869 5.0845 5.1522 5.4815 5.4989 6.4998 6.5550 6.6787 6.6975 11.2691 11.2796 14.7074 14.7112 15.2890 15.2897 16.2001 16.2125 k = 0.3214 0.1856-0.0000 ( 1748 PWs) bands (ev): -10.3746 -10.3734 -9.9389 -9.9335 1.2496 1.2654 1.5756 1.6024 1.7942 1.7952 1.9537 1.9800 2.1279 2.1692 2.2859 2.3417 2.5252 2.7293 2.7936 2.8817 2.9414 3.0279 3.1904 3.2288 3.3652 3.5258 4.1946 4.2277 5.0257 5.0954 5.4425 5.4598 6.4655 6.5212 6.6555 6.6741 11.3764 11.3872 14.7499 14.7532 15.2558 15.2564 16.1282 16.1398 k = 0.3304 0.1907-0.0000 ( 1748 PWs) bands (ev): -10.3566 -10.3553 -9.9351 -9.9297 1.2481 1.2644 1.5735 1.5989 1.7993 1.8003 1.9669 1.9951 2.1432 2.1847 2.2951 2.3646 2.5182 2.7437 2.8006 2.8872 2.9418 3.0343 3.1942 3.2281 3.3727 3.5350 4.1349 4.1733 4.9682 5.0397 5.4043 5.4215 6.4310 6.4870 6.6329 6.6511 11.4832 11.4943 14.7867 14.7896 15.2178 15.2182 16.0636 16.0741 k = 0.3393 0.1959-0.0000 ( 1750 PWs) bands (ev): -10.3388 -10.3374 -9.9316 -9.9262 1.2477 1.2644 1.5712 1.5953 1.8040 1.8050 1.9802 2.0102 2.1583 2.1997 2.3022 2.3837 2.5144 2.7593 2.8080 2.8925 2.9421 3.0405 3.1992 3.2284 3.3771 3.5406 4.0806 4.1243 4.9121 4.9854 5.3670 5.3840 6.3965 6.4525 6.6108 6.6287 11.5894 11.6007 14.8177 14.8204 15.1748 15.1748 16.0064 16.0157 k = 0.3482 0.2010-0.0000 ( 1746 PWs) bands (ev): -10.3214 -10.3199 -9.9285 -9.9232 1.2482 1.2652 1.5688 1.5917 1.8084 1.8094 1.9939 2.0254 2.1731 2.2142 2.3075 2.3973 2.5157 2.7754 2.8160 2.8976 2.9423 3.0464 3.2056 3.2298 3.3779 3.5416 4.0327 4.0812 4.8576 4.9328 5.3307 5.3474 6.3621 6.4180 6.5894 6.6068 11.6949 11.7064 14.8427 14.8457 15.1262 15.1270 15.9566 15.9648 k = 0.3571 0.2062-0.0000 ( 1746 PWs) bands (ev): -10.3043 -10.3028 -9.9257 -9.9205 1.2496 1.2670 1.5661 1.5879 1.8125 1.8133 2.0076 2.0405 2.1875 2.2279 2.3112 2.4037 2.5236 2.7915 2.8246 2.9023 2.9425 3.0516 3.2137 3.2327 3.3751 3.5370 3.9919 4.0441 4.8050 4.8819 5.2956 5.3119 6.3280 6.3835 6.5688 6.5857 11.7995 11.8112 14.8613 14.8652 15.0733 15.0753 15.9139 15.9210 k = 0.3661 0.2114-0.0000 ( 1746 PWs) bands (ev): -10.2877 -10.2861 -9.9233 -9.9182 1.2520 1.2695 1.5633 1.5841 1.8162 1.8168 2.0215 2.0555 2.2015 2.2407 2.3136 2.4036 2.5372 2.8065 2.8339 2.9066 2.9427 3.0561 3.2236 3.2368 3.3687 3.5263 3.9588 4.0130 4.7547 4.8330 5.2617 5.2776 6.2944 6.3493 6.5490 6.5653 11.9032 11.9151 14.8718 14.8778 15.0179 15.0223 15.8779 15.8839 k = 0.3750 0.2165-0.0000 ( 1740 PWs) bands (ev): -10.2716 -10.2699 -9.9212 -9.9163 1.2553 1.2730 1.5602 1.5801 1.8195 1.8198 2.0355 2.0704 2.2149 2.2524 2.3152 2.3991 2.5549 2.8199 2.8441 2.9107 2.9430 3.0598 3.2353 3.2421 3.3595 3.5097 3.9330 3.9875 4.7069 4.7864 5.2293 5.2446 6.2614 6.3154 6.5301 6.5458 12.0057 12.0177 14.8678 14.8780 14.9666 14.9754 15.8478 15.8529 k = 0.3839 0.2217-0.0000 ( 1740 PWs) bands (ev): -10.2560 -10.2544 -9.9196 -9.9148 1.2595 1.2771 1.5569 1.5759 1.8224 1.8225 2.0496 2.0850 2.2276 2.2627 2.3162 2.3918 2.5746 2.8312 2.8548 2.9142 2.9434 3.0624 3.2477 3.2484 3.3493 3.4884 3.9134 3.9667 4.6621 4.7425 5.1984 5.2131 6.2292 6.2820 6.5122 6.5272 12.1069 12.1190 14.8365 14.8484 14.9382 14.9486 15.8228 15.8271 k = 0.3929 0.2268-0.0000 ( 1738 PWs) bands (ev): -10.2411 -10.2395 -9.9182 -9.9136 1.2644 1.2820 1.5534 1.5716 1.8247 1.8250 2.0636 2.0993 2.2396 2.2714 2.3172 2.3833 2.5952 2.8406 2.8651 2.9173 2.9442 3.0639 3.2516 3.2623 3.3411 3.4646 3.8983 3.9494 4.6209 4.7014 5.1691 5.1831 6.1982 6.2494 6.4954 6.5095 12.2065 12.2186 14.7807 14.7904 14.9325 14.9404 15.8022 15.8057 k = 0.4018 0.2320-0.0000 ( 1740 PWs) bands (ev): -10.2269 -10.2253 -9.9172 -9.9128 1.2700 1.2874 1.5497 1.5671 1.8265 1.8271 2.0777 2.1131 2.2507 2.2779 2.3186 2.3742 2.6158 2.8485 2.8739 2.9199 2.9454 3.0644 3.2505 3.2754 3.3394 3.4412 3.8858 3.9341 4.5836 4.6636 5.1417 5.1549 6.1685 6.2177 6.4797 6.4929 12.3043 12.3164 14.7145 14.7227 14.9321 14.9382 15.7853 15.7881 k = 0.4107 0.2371-0.0000 ( 1742 PWs) bands (ev): -10.2135 -10.2119 -9.9166 -9.9124 1.2761 1.2932 1.5459 1.5624 1.8280 1.8289 2.0915 2.1264 2.2608 2.2822 2.3208 2.3650 2.6361 2.8552 2.8805 2.9221 2.9472 3.0638 3.2427 3.2847 3.3470 3.4228 3.8742 3.9194 4.5507 4.6293 5.1161 5.1284 6.1405 6.1872 6.4652 6.4774 12.4000 12.4118 14.6441 14.6515 14.9320 14.9370 15.7713 15.7737 k = 0.4196 0.2423-0.0000 ( 1742 PWs) bands (ev): -10.2010 -10.1994 -9.9162 -9.9123 1.2828 1.2993 1.5420 1.5576 1.8293 1.8303 2.1052 2.1390 2.2697 2.2844 2.3238 2.3564 2.6558 2.8605 2.8849 2.9236 2.9498 3.0622 3.2302 3.2855 3.3626 3.4150 3.8619 3.9040 4.5228 4.5986 5.0926 5.1040 6.1143 6.1583 6.4519 6.4631 12.4930 12.5046 14.5721 14.5792 14.9312 14.9354 15.7598 15.7617 k = 0.4286 0.2474-0.0000 ( 1744 PWs) bands (ev): -10.1894 -10.1878 -9.9160 -9.9124 1.2897 1.3056 1.5381 1.5527 1.8303 1.8314 2.1186 2.1507 2.2771 2.2848 2.3273 2.3486 2.6747 2.8638 2.8878 2.9248 2.9533 3.0595 3.2161 3.2758 3.3839 3.4209 3.8479 3.8869 4.4999 4.5717 5.0713 5.0816 6.0903 6.1310 6.4400 6.4501 12.5828 12.5941 14.5002 14.5071 14.9297 14.9332 15.7504 15.7520 k = 0.4375 0.2526-0.0000 ( 1736 PWs) bands (ev): -10.1788 -10.1774 -9.9161 -9.9128 1.2969 1.3118 1.5342 1.5478 1.8311 1.8323 2.1314 2.1614 2.2828 2.2842 2.3307 2.3422 2.6931 2.8643 2.8903 2.9256 2.9576 3.0559 3.2027 3.2592 3.4091 3.4378 3.8315 3.8673 4.4822 4.5486 5.0523 5.0615 6.0686 6.1056 6.4294 6.4384 12.6686 12.6795 14.4296 14.4363 14.9277 14.9306 15.7428 15.7441 k = 0.4464 0.2577-0.0000 ( 1736 PWs) bands (ev): -10.1694 -10.1680 -9.9163 -9.9134 1.3040 1.3177 1.5306 1.5429 1.8317 1.8329 2.1438 2.1710 2.2829 2.2862 2.3337 2.3376 2.7106 2.8613 2.8931 2.9256 2.9625 3.0510 3.1906 3.2401 3.4371 3.4611 3.8123 3.8449 4.4694 4.5290 5.0357 5.0437 6.0497 6.0824 6.4202 6.4281 12.7496 12.7598 14.3617 14.3681 14.9254 14.9278 15.7366 15.7376 k = 0.4554 0.2629-0.0000 ( 1740 PWs) bands (ev): -10.1612 -10.1600 -9.9165 -9.9140 1.3109 1.3230 1.5272 1.5381 1.8321 1.8332 2.1553 2.1793 2.2813 2.2873 2.3351 2.3360 2.7272 2.8552 2.8964 2.9251 2.9680 3.0450 3.1807 3.2217 3.4671 3.4882 3.7904 3.8197 4.4610 4.5126 5.0215 5.0283 6.0337 6.0618 6.4125 6.4191 12.8244 12.8336 14.2980 14.3040 14.9230 14.9250 15.7316 15.7324 k = 0.4643 0.2681-0.0000 ( 1746 PWs) bands (ev): -10.1543 -10.1533 -9.9168 -9.9148 1.3173 1.3277 1.5243 1.5335 1.8324 1.8334 2.1659 2.1859 2.2797 2.2864 2.3345 2.3377 2.7432 2.8468 2.9000 2.9239 2.9740 3.0379 3.1732 3.2052 3.4982 3.5174 3.7661 3.7923 4.4565 4.4989 5.0100 5.0154 6.0208 6.0439 6.4063 6.4116 12.8911 12.8992 14.2404 14.2459 14.9208 14.9223 15.7277 15.7283 k = 0.4732 0.2732-0.0000 ( 1750 PWs) bands (ev): -10.1487 -10.1480 -9.9171 -9.9155 1.3231 1.3312 1.5221 1.5294 1.8327 1.8335 2.1752 2.1908 2.2783 2.2842 2.3351 2.3388 2.7584 2.8368 2.9036 2.9221 2.9806 3.0299 3.1682 3.1915 3.5300 3.5476 3.7400 3.7631 4.4551 4.4876 5.0010 5.0051 6.0113 6.0290 6.4015 6.4055 12.9477 12.9543 14.1914 14.1960 14.9189 14.9200 15.7248 15.7253 k = 0.4821 0.2784-0.0000 ( 1750 PWs) bands (ev): -10.1447 -10.1442 -9.9172 -9.9161 1.3278 1.3335 1.5209 1.5259 1.8329 1.8335 2.1831 2.1938 2.2775 2.2817 2.3363 2.3392 2.7731 2.8255 2.9073 2.9199 2.9878 3.0214 3.1657 3.1808 3.5612 3.5772 3.7138 3.7334 4.4562 4.4782 4.9948 4.9976 6.0053 6.0173 6.3983 6.4010 12.9915 12.9962 14.1537 14.1570 14.9175 14.9183 15.7228 15.7231 k = 0.4911 0.2835-0.0000 ( 1754 PWs) bands (ev): -10.1422 -10.1419 -9.9172 -9.9166 1.3314 1.3343 1.5206 1.5231 1.8331 1.8334 2.1890 2.1945 2.2773 2.2795 2.3375 2.3391 2.7871 2.8134 2.9108 2.9172 2.9956 3.0126 3.1656 3.1730 3.5896 3.6017 3.6916 3.7054 4.4593 4.4704 4.9913 4.9927 6.0029 6.0089 6.3967 6.3980 13.0198 13.0222 14.1301 14.1318 14.9167 14.9171 15.7217 15.7218 k = 0.5000 0.2887-0.0000 ( 1750 PWs) bands (ev): -10.1412 -10.1412 -9.9170 -9.9170 1.3337 1.3337 1.5213 1.5213 1.8333 1.8333 2.1929 2.1929 2.2780 2.2780 2.3385 2.3385 2.8005 2.8005 2.9142 2.9142 3.0040 3.0040 3.1680 3.1680 3.6080 3.6080 3.6867 3.6867 4.4642 4.4642 4.9906 4.9906 6.0042 6.0042 6.3966 6.3966 13.0303 13.0303 14.1225 14.1225 14.9166 14.9166 15.7213 15.7213 k = 0.5000 0.2887-0.0000 ( 1750 PWs) bands (ev): -10.1412 -10.1412 -9.9170 -9.9170 1.3337 1.3337 1.5213 1.5213 1.8333 1.8333 2.1929 2.1929 2.2780 2.2780 2.3385 2.3385 2.8005 2.8005 2.9142 2.9142 3.0040 3.0040 3.1680 3.1680 3.6080 3.6080 3.6867 3.6867 4.4642 4.4642 4.9906 4.9906 6.0042 6.0042 6.3966 6.3966 13.0303 13.0303 14.1225 14.1225 14.9166 14.9166 15.7213 15.7213 k = 0.4949 0.2974-0.0000 ( 1750 PWs) bands (ev): -10.1411 -10.1410 -9.9171 -9.9169 1.3324 1.3360 1.5215 1.5234 1.8282 1.8380 2.1878 2.1972 2.2752 2.2807 2.3368 2.3413 2.7980 2.8029 2.9110 2.9171 2.9957 3.0121 3.1652 3.1706 3.6049 3.6113 3.6843 3.6904 4.4635 4.4639 4.9871 4.9908 6.0008 6.0056 6.3926 6.3970 13.0332 13.0332 14.1253 14.1257 14.9167 14.9170 15.7215 15.7216 k = 0.4899 0.3062-0.0000 ( 1750 PWs) bands (ev): -10.1405 -10.1403 -9.9172 -9.9168 1.3320 1.3393 1.5238 1.5275 1.8228 1.8423 2.1818 2.2005 2.2724 2.2834 2.3362 2.3450 2.7953 2.8051 2.9077 2.9195 2.9872 3.0200 3.1623 3.1729 3.6020 3.6148 3.6831 3.6953 4.4619 4.4626 4.9802 4.9876 5.9955 6.0052 6.3852 6.3939 13.0419 13.0419 14.1339 14.1347 14.9174 14.9181 15.7220 15.7222 k = 0.4848 0.3149-0.0000 ( 1754 PWs) bands (ev): -10.1395 -10.1392 -9.9173 -9.9168 1.3326 1.3436 1.5282 1.5339 1.8171 1.8463 2.1752 2.2026 2.2698 2.2860 2.3366 2.3495 2.7923 2.8071 2.9042 2.9216 2.9785 3.0277 3.1593 3.1750 3.5993 3.6184 3.6832 3.7013 4.4592 4.4601 4.9702 4.9813 5.9883 6.0028 6.3744 6.3874 13.0562 13.0563 14.1484 14.1495 14.9187 14.9197 15.7229 15.7232 k = 0.4798 0.3237-0.0000 ( 1754 PWs) bands (ev): -10.1380 -10.1377 -9.9174 -9.9168 1.3342 1.3490 1.5348 1.5424 1.8111 1.8499 2.1679 2.2035 2.2677 2.2889 2.3380 2.3547 2.7891 2.8089 2.9006 2.9231 2.9698 3.0351 3.1561 3.1768 3.5969 3.6222 3.6846 3.7084 4.4551 4.4561 4.9576 4.9722 5.9792 5.9984 6.3603 6.3776 13.0762 13.0764 14.1684 14.1698 14.9206 14.9220 15.7241 15.7246 k = 0.4747 0.3324-0.0000 ( 1754 PWs) bands (ev): -10.1362 -10.1358 -9.9175 -9.9167 1.3368 1.3554 1.5435 1.5531 1.8049 1.8533 2.1600 2.2029 2.2664 2.2919 2.3401 2.3604 2.7857 2.8106 2.8971 2.9240 2.9611 3.0423 3.1529 3.1784 3.5947 3.6260 3.6873 3.7165 4.4494 4.4503 4.9429 4.9610 5.9681 5.9921 6.3431 6.3646 13.1016 13.1019 14.1937 14.1954 14.9231 14.9247 15.7257 15.7263 k = 0.4697 0.3412-0.0000 ( 1748 PWs) bands (ev): -10.1339 -10.1335 -9.9176 -9.9167 1.3402 1.3627 1.5543 1.5659 1.7985 1.8564 2.1517 2.2007 2.2662 2.2954 2.3427 2.3665 2.7821 2.8121 2.8937 2.9244 2.9525 3.0493 3.1496 3.1796 3.5928 3.6299 3.6912 3.7255 4.4415 4.4421 4.9268 4.9482 5.9550 5.9839 6.3231 6.3488 13.1324 13.1327 14.2240 14.2260 14.9261 14.9281 15.7276 15.7284 k = 0.4646 0.3499-0.0000 ( 1744 PWs) bands (ev): -10.1313 -10.1307 -9.9178 -9.9168 1.3445 1.3710 1.5671 1.5808 1.7920 1.8592 2.1430 2.1971 2.2672 2.2990 2.3458 2.3729 2.7783 2.8136 2.8903 2.9241 2.9439 3.0559 3.1463 3.1805 3.5912 3.6337 3.6962 3.7354 4.4308 4.4309 4.9104 4.9346 5.9399 5.9735 6.3004 6.3302 13.1681 13.1685 14.2590 14.2610 14.9296 14.9319 15.7298 15.7307 k = 0.4596 0.3587-0.0000 ( 1748 PWs) bands (ev): -10.1283 -10.1276 -9.9180 -9.9169 1.3495 1.3802 1.5819 1.5979 1.7853 1.8617 2.1339 2.1920 2.2692 2.3029 2.3490 2.3796 2.7741 2.8148 2.8867 2.9230 2.9356 3.0622 3.1428 3.1809 3.5897 3.6375 3.7023 3.7458 4.4157 4.4170 4.8945 4.9213 5.9228 5.9610 6.2755 6.3092 13.2087 13.2091 14.2980 14.3001 14.9336 14.9362 15.7323 15.7333 k = 0.4545 0.3674-0.0000 ( 1746 PWs) bands (ev): -10.1249 -10.1241 -9.9183 -9.9170 1.3553 1.3903 1.5986 1.6170 1.7787 1.8643 2.1245 2.1858 2.2724 2.3072 2.3524 2.3866 2.7697 2.8159 2.8833 2.9214 2.9276 3.0680 3.1394 3.1810 3.5887 3.6411 3.7092 3.7569 4.3960 4.3992 4.8803 4.9092 5.9038 5.9463 6.2486 6.2860 13.2538 13.2543 14.3406 14.3427 14.9381 14.9409 15.7349 15.7360 k = 0.4495 0.3762-0.0000 ( 1750 PWs) bands (ev): -10.1211 -10.1203 -9.9186 -9.9172 1.3618 1.4011 1.6171 1.6382 1.7721 1.8666 2.1149 2.1788 2.2765 2.3117 2.3559 2.3937 2.7650 2.8169 2.8796 2.9192 2.9200 3.0732 3.1359 3.1806 3.5878 3.6445 3.7170 3.7683 4.3713 4.3769 4.8686 4.8992 5.8828 5.9294 6.2202 6.2609 13.3032 13.3038 14.3862 14.3883 14.9430 14.9460 15.7376 15.7388 k = 0.4444 0.3849-0.0000 ( 1750 PWs) bands (ev): -10.1170 -10.1160 -9.9190 -9.9174 1.3689 1.4128 1.6373 1.6614 1.7659 1.8689 2.1051 2.1711 2.2814 2.3165 2.3593 2.4011 2.7602 2.8177 2.8757 2.9131 2.9164 3.0777 3.1326 3.1799 3.5873 3.6477 3.7253 3.7801 4.3410 4.3498 4.8603 4.8920 5.8599 5.9103 6.1906 6.2341 13.3565 13.3572 14.4343 14.4362 14.9482 14.9515 15.7403 15.7417 k = 0.4394 0.3936-0.0000 ( 1746 PWs) bands (ev): -10.1125 -10.1115 -9.9195 -9.9178 1.3765 1.4251 1.6589 1.6866 1.7602 1.8713 2.0952 2.1629 2.2870 2.3216 2.3627 2.4088 2.7552 2.8185 2.8715 2.9069 2.9133 3.0812 3.1296 3.1787 3.5871 3.6507 3.7342 3.7921 4.3053 4.3178 4.8558 4.8882 5.8353 5.8889 6.1601 6.2059 13.4135 13.4143 14.4842 14.4859 14.9537 14.9573 15.7428 15.7443 k = 0.4343 0.4024-0.0000 ( 1746 PWs) bands (ev): -10.1077 -10.1066 -9.9201 -9.9182 1.3846 1.4380 1.6813 1.7137 1.7558 1.8738 2.0852 2.1543 2.2932 2.3269 2.3659 2.4167 2.7500 2.8192 2.8667 2.9014 2.9098 3.0832 3.1270 3.1769 3.5872 3.6533 3.7434 3.8041 4.2644 4.2810 4.8552 4.8879 5.8091 5.8655 6.1289 6.1765 13.4737 13.4747 14.5353 14.5367 14.9595 14.9633 15.7449 15.7466 k = 0.4293 0.4111-0.0000 ( 1748 PWs) bands (ev): -10.1027 -10.1015 -9.9207 -9.9188 1.3930 1.4512 1.7026 1.7426 1.7544 1.8764 2.0752 2.1454 2.3000 2.3325 2.3690 2.4249 2.7447 2.8198 2.8614 2.8966 2.9059 3.0834 3.1252 3.1746 3.5875 3.6556 3.7528 3.8159 4.2188 4.2400 4.8583 4.8913 5.7814 5.8400 6.0974 6.1460 13.5370 13.5380 14.5869 14.5879 14.9656 14.9695 15.7465 15.7484 k = 0.4242 0.4199-0.0000 ( 1748 PWs) bands (ev): -10.0973 -10.0960 -9.9215 -9.9195 1.4018 1.4648 1.7175 1.7616 1.7732 1.8794 2.0653 2.1364 2.3074 2.3383 2.3720 2.4334 2.7393 2.8203 2.8557 2.8925 2.9018 3.0816 3.1241 3.1718 3.5883 3.6575 3.7621 3.8273 4.1693 4.1953 4.8650 4.8983 5.7527 5.8127 6.0657 6.1146 13.6029 13.6041 14.6384 14.6390 14.9717 14.9758 15.7472 15.7492 k = 0.4192 0.4286-0.0000 ( 1746 PWs) bands (ev): -10.0917 -10.0903 -9.9225 -9.9203 1.4107 1.4784 1.7220 1.7813 1.8054 1.8828 2.0555 2.1272 2.3152 2.3442 2.3749 2.4423 2.7340 2.8207 2.8497 2.8888 2.8976 3.0778 3.1236 3.1683 3.5893 3.6589 3.7713 3.8384 4.1165 4.1477 4.8750 4.9085 5.7230 5.7841 6.0338 6.0824 13.6712 13.6725 14.6892 14.6894 14.9779 14.9822 15.7467 15.7489 k = 0.4141 0.4374-0.0000 ( 1742 PWs) bands (ev): -10.0858 -10.0843 -9.9236 -9.9213 1.4197 1.4918 1.7214 1.8081 1.8386 1.8871 2.0458 2.1179 2.3235 2.3504 2.3778 2.4517 2.7287 2.8211 2.8434 2.8854 2.8935 3.0723 3.1232 3.1640 3.5907 3.6598 3.7801 3.8487 4.0615 4.0981 4.8880 4.9218 5.6929 5.7544 6.0018 6.0494 13.7415 13.7429 14.7384 14.7388 14.9842 14.9886 15.7447 15.7470 k = 0.4091 0.4461-0.0000 ( 1746 PWs) bands (ev): -10.0797 -10.0781 -9.9248 -9.9225 1.4287 1.5047 1.7201 1.8379 1.8705 1.8945 2.0364 2.1086 2.3321 2.3567 2.3806 2.4615 2.7233 2.8213 2.8368 2.8821 2.8893 3.0652 3.1222 3.1588 3.5925 3.6601 3.7882 3.8581 4.0051 4.0473 4.9036 4.9379 5.6626 5.7241 5.9695 6.0156 13.8136 13.8151 14.7857 14.7866 14.9904 14.9948 15.7405 15.7430 k = 0.4040 0.4549-0.0000 ( 1754 PWs) bands (ev): -10.0734 -10.0717 -9.9263 -9.9238 1.4376 1.5167 1.7193 1.8691 1.8881 1.9176 2.0275 2.0994 2.3412 2.3632 2.3836 2.4719 2.7181 2.8215 2.8301 2.8785 2.8851 3.0568 3.1201 3.1523 3.5946 3.6598 3.7956 3.8664 3.9480 3.9964 4.9216 4.9564 5.6325 5.6937 5.9370 5.9811 13.8870 13.8887 14.8308 14.8322 14.9964 15.0009 15.7338 15.7364 k = 0.3990 0.4636-0.0000 ( 1746 PWs) bands (ev): -10.0670 -10.0651 -9.9280 -9.9254 1.4465 1.5276 1.7201 1.8950 1.9008 1.9528 2.0197 2.0906 2.3508 2.3700 2.3869 2.4829 2.7131 2.8217 2.8234 2.8750 2.8813 3.0470 3.1167 3.1447 3.5972 3.6586 3.8020 3.8733 3.8914 3.9467 4.9418 4.9773 5.6031 5.6639 5.9040 5.9460 13.9617 13.9634 14.8733 14.8753 15.0022 15.0069 15.7242 15.7269 k = 0.3939 0.4724-0.0000 ( 1746 PWs) bands (ev): -10.0603 -10.0584 -9.9299 -9.9273 1.4551 1.5369 1.7227 1.9005 1.9311 1.9899 2.0142 2.0825 2.3607 2.3771 2.3906 2.4946 2.7081 2.8165 2.8219 2.8712 2.8777 3.0359 3.1112 3.1354 3.6002 3.6562 3.8073 3.8362 3.8773 3.9006 4.9641 5.0003 5.5746 5.6350 5.8705 5.9100 14.0372 14.0390 14.9128 14.9155 15.0078 15.0126 15.7111 15.7138 k = 0.3889 0.4811-0.0000 ( 1746 PWs) bands (ev): -10.0536 -10.0515 -9.9320 -9.9293 1.4635 1.5442 1.7275 1.9059 1.9554 2.0155 2.0252 2.0771 2.3709 2.3845 2.3951 2.5070 2.7032 2.8095 2.8220 2.8671 2.8744 3.0232 3.1034 3.1243 3.6034 3.6519 3.7836 3.8112 3.8522 3.8857 4.9882 5.0252 5.5475 5.6075 5.8364 5.8734 14.1133 14.1152 14.9491 14.9525 15.0130 15.0180 15.6941 15.6967 k = 0.3838 0.4899-0.0000 ( 1742 PWs) bands (ev): -10.0468 -10.0445 -9.9345 -9.9317 1.4715 1.5494 1.7346 1.9113 1.9656 2.0313 2.0467 2.0857 2.3814 2.3923 2.4006 2.5202 2.6981 2.8026 2.8221 2.8629 2.8717 3.0087 3.0930 3.1110 3.6065 3.6449 3.7352 3.8136 3.8146 3.8873 5.0140 5.0519 5.5222 5.5819 5.8016 5.8360 14.1898 14.1917 14.9816 14.9861 15.0178 15.0235 15.6728 15.6753 k = 0.3788 0.4986-0.0000 ( 1740 PWs) bands (ev): -10.0398 -10.0375 -9.9372 -9.9344 1.4792 1.5525 1.7438 1.9168 1.9641 2.0460 2.0587 2.1161 2.3920 2.4006 2.4079 2.5343 2.6926 2.7960 2.8221 2.8585 2.8696 2.9921 3.0798 3.0954 3.6078 3.6340 3.6936 3.7837 3.8143 3.8877 5.0414 5.0802 5.4989 5.5586 5.7659 5.7979 14.2665 14.2684 15.0085 15.0161 15.0222 15.0303 15.6472 15.6495 k = 0.3737 0.5074-0.0000 ( 1748 PWs) bands (ev): -10.0329 -10.0304 -9.9402 -9.9373 1.4864 1.5538 1.7548 1.9222 1.9585 2.0394 2.0899 2.1506 2.4028 2.4095 2.4174 2.5490 2.6858 2.7900 2.8217 2.8539 2.8680 2.9726 3.0639 3.0771 3.6028 3.6188 3.6643 3.7616 3.8132 3.8863 5.0702 5.1099 5.4778 5.5379 5.7294 5.7592 14.3430 14.3449 15.0239 15.0260 15.0419 15.0441 15.6173 15.6193 k = 0.3687 0.5161-0.0000 ( 1752 PWs) bands (ev): -10.0259 -10.0233 -9.9435 -9.9407 1.4932 1.5535 1.7672 1.9273 1.9516 2.0320 2.1213 2.1833 2.4136 2.4192 2.4306 2.5646 2.6774 2.7854 2.8213 2.8495 2.8670 2.9500 3.0462 3.0566 3.5855 3.6001 3.6540 3.7480 3.8102 3.8829 5.1003 5.1409 5.4592 5.5202 5.6921 5.7201 14.4193 14.4212 15.0293 15.0296 15.0623 15.0631 15.5836 15.5851 k = 0.3636 0.5249-0.0000 ( 1752 PWs) bands (ev): -10.0189 -10.0161 -9.9472 -9.9443 1.4996 1.5520 1.7804 1.9320 1.9447 2.0246 2.1516 2.2118 2.4242 2.4302 2.4484 2.5809 2.6664 2.7828 2.8206 2.8453 2.8656 2.9245 3.0275 3.0340 3.5626 3.5802 3.6566 3.7410 3.8053 3.8777 5.1317 5.1731 5.4429 5.5056 5.6540 5.6807 14.4951 14.4969 15.0321 15.0328 15.0769 15.0786 15.5470 15.5481 k = 0.3586 0.5336-0.0000 ( 1752 PWs) bands (ev): -10.0120 -10.0090 -9.9512 -9.9484 1.5057 1.5495 1.7939 1.9358 1.9380 2.0178 2.1797 2.2347 2.4345 2.4424 2.4715 2.5977 2.6525 2.7830 2.8196 2.8413 2.8593 2.9008 3.0086 3.0100 3.5416 3.5611 3.6645 3.7386 3.7985 3.8707 5.1642 5.2064 5.4288 5.4941 5.6154 5.6415 14.5702 14.5720 15.0342 15.0350 15.0847 15.0868 15.5094 15.5100 k = 0.3535 0.5424-0.0000 ( 1752 PWs) bands (ev): -10.0051 -10.0020 -9.9556 -9.9528 1.5113 1.5464 1.8069 1.9322 1.9385 2.0119 2.2048 2.2513 2.4443 2.4562 2.4994 2.6146 2.6358 2.7861 2.8170 2.8376 2.8378 2.8911 2.9854 2.9903 3.5249 3.5442 3.6753 3.7393 3.7898 3.8623 5.1977 5.2405 5.4163 5.4854 5.5767 5.6033 14.6446 14.6462 15.0357 15.0363 15.0831 15.0853 15.4734 15.4737 k = 0.3485 0.5511-0.0000 ( 1757 PWs) bands (ev): -9.9984 -9.9950 -9.9604 -9.9576 1.5166 1.5427 1.8186 1.9278 1.9396 2.0072 2.2262 2.2619 2.4534 2.4716 2.5291 2.6185 2.6310 2.7921 2.7945 2.8224 2.8341 2.8931 2.9615 2.9726 3.5130 3.5300 3.6882 3.7419 3.7793 3.8529 5.2320 5.2750 5.4040 5.4785 5.5393 5.5675 14.7179 14.7193 15.0367 15.0368 15.0689 15.0707 15.4426 15.4426 k = 0.3434 0.5599-0.0000 ( 1761 PWs) bands (ev): -9.9919 -9.9882 -9.9655 -9.9629 1.5215 1.5388 1.8279 1.9255 1.9387 2.0040 2.2435 2.2673 2.4614 2.4886 2.5501 2.6101 2.6465 2.7532 2.8003 2.8209 2.8306 2.9001 2.9401 2.9560 3.5057 3.5188 3.7028 3.7451 3.7673 3.8436 5.2668 5.3092 5.3898 5.4676 5.5097 5.5366 14.7901 14.7913 15.0343 15.0366 15.0410 15.0418 15.4201 15.4203 k = 0.3384 0.5686-0.0000 ( 1763 PWs) bands (ev): -9.9858 -9.9815 -9.9706 -9.9686 1.5261 1.5347 1.8339 1.9263 1.9357 2.0023 2.2563 2.2680 2.4678 2.5069 2.5442 2.6287 2.6600 2.7090 2.8093 2.8210 2.8266 2.9099 2.9241 2.9406 3.5031 3.5104 3.7186 3.7472 3.7543 3.8362 5.3013 5.3405 5.3710 5.4436 5.4995 5.5140 14.8608 14.8616 14.9926 14.9936 15.0373 15.0375 15.4075 15.4076 k = 0.3333 0.5774-0.0000 ( 1767 PWs) bands (ev): -9.9823 -9.9758 -9.9739 -9.9739 1.5304 1.5304 1.8359 1.9306 1.9306 2.0018 2.2644 2.2644 2.4707 2.5256 2.5256 2.6610 2.6610 2.6750 2.8153 2.8220 2.8220 2.9179 2.9179 2.9306 3.5050 3.5050 3.7303 3.7460 3.7460 3.8332 5.3252 5.3552 5.3552 5.4264 5.5023 5.5023 14.9212 14.9213 14.9408 14.9408 15.0371 15.0371 15.4039 15.4039 k = 0.3333 0.5774-0.0000 ( 1767 PWs) bands (ev): -9.9823 -9.9758 -9.9739 -9.9739 1.5304 1.5304 1.8359 1.9306 1.9306 2.0018 2.2644 2.2644 2.4707 2.5256 2.5256 2.6610 2.6610 2.6750 2.8153 2.8220 2.8220 2.9179 2.9179 2.9306 3.5050 3.5050 3.7303 3.7460 3.7460 3.8332 5.3252 5.3552 5.3552 5.4264 5.5023 5.5023 14.9212 14.9213 14.9408 14.9408 15.0371 15.0371 15.4039 15.4039 k = 0.3282 0.5685-0.0000 ( 1767 PWs) bands (ev): -9.9861 -9.9817 -9.9706 -9.9683 1.5261 1.5345 1.8340 1.9237 1.9380 2.0021 2.2563 2.2677 2.4655 2.5110 2.5433 2.6204 2.6821 2.6940 2.8071 2.8237 2.8262 2.9090 2.9248 2.9411 3.5023 3.5113 3.7194 3.7394 3.7612 3.8367 5.3001 5.3318 5.3813 5.4445 5.5010 5.5112 14.8550 14.8560 14.9967 14.9991 15.0382 15.0398 15.4069 15.4070 k = 0.3231 0.5596-0.0000 ( 1763 PWs) bands (ev): -9.9928 -9.9889 -9.9650 -9.9621 1.5220 1.5385 1.8291 1.9155 1.9476 2.0027 2.2436 2.2656 2.4495 2.5073 2.5509 2.5898 2.6885 2.7208 2.7944 2.8261 2.8341 2.8975 2.9430 2.9579 3.5027 3.5222 3.7031 3.7278 3.7830 3.8470 5.2599 5.2912 5.4169 5.4785 5.5084 5.5243 14.7702 14.7721 15.0257 15.0304 15.0732 15.0763 15.4149 15.4150 k = 0.3179 0.5507-0.0000 ( 1751 PWs) bands (ev): -10.0003 -9.9967 -9.9593 -9.9561 1.5179 1.5423 1.8219 1.9060 1.9584 2.0033 2.2261 2.2578 2.4300 2.5091 2.5280 2.5918 2.6928 2.7328 2.7866 2.8291 2.8474 2.8880 2.9685 2.9762 3.5061 3.5371 3.6865 3.7132 3.8075 3.8627 5.2155 5.2463 5.4526 5.5153 5.5231 5.5419 14.6774 14.6802 15.0266 15.0305 15.1377 15.1391 15.4263 15.4263 k = 0.3128 0.5418-0.0000 ( 1747 PWs) bands (ev): -10.0085 -10.0050 -9.9538 -9.9503 1.5141 1.5459 1.8128 1.8951 1.9695 2.0032 2.2043 2.2438 2.4118 2.4977 2.5126 2.6032 2.6957 2.7254 2.7878 2.8325 2.8681 2.8810 2.9949 2.9972 3.5125 3.5547 3.6713 3.6976 3.8341 3.8826 5.1686 5.1996 5.4865 5.5448 5.5489 5.5671 14.5783 14.5819 15.0249 15.0290 15.2019 15.2026 15.4401 15.4402 k = 0.3077 0.5329-0.0000 ( 1747 PWs) bands (ev): -10.0172 -10.0138 -9.9485 -9.9448 1.5103 1.5492 1.8023 1.8829 1.9803 2.0024 2.1794 2.2239 2.3961 2.4715 2.5163 2.6116 2.6981 2.7080 2.7911 2.8363 2.8771 2.8951 3.0134 3.0267 3.5211 3.5713 3.6617 3.6833 3.8630 3.9059 5.1203 5.1518 5.5177 5.5733 5.5753 5.6030 14.4742 14.4785 15.0227 15.0271 15.2646 15.2647 15.4559 15.4561 k = 0.3026 0.5241-0.0000 ( 1749 PWs) bands (ev): -10.0265 -10.0232 -9.9435 -9.9397 1.5067 1.5524 1.7903 1.8690 1.9907 2.0004 2.1530 2.1990 2.3830 2.4503 2.5198 2.6148 2.6875 2.7007 2.7932 2.8407 2.8765 2.9255 3.0314 3.0549 3.5299 3.5782 3.6662 3.6735 3.8944 3.9324 5.0712 5.1034 5.5470 5.6006 5.6072 5.6430 14.3657 14.3707 15.0202 15.0250 15.3249 15.3254 15.4732 15.4736 k = 0.2974 0.5152-0.0000 ( 1753 PWs) bands (ev): -10.0364 -10.0331 -9.9389 -9.9349 1.5034 1.5554 1.7769 1.8532 1.9968 2.0003 2.1271 2.1706 2.3717 2.4336 2.5232 2.6124 2.6661 2.7034 2.7941 2.8460 2.8790 2.9575 3.0492 3.0807 3.5349 3.5708 3.6730 3.6889 3.9284 3.9620 5.0216 5.0546 5.5758 5.6273 5.6446 5.6843 14.2537 14.2593 15.0177 15.0229 15.3832 15.3843 15.4921 15.4927 k = 0.2923 0.5063-0.0000 ( 1749 PWs) bands (ev): -10.0468 -10.0436 -9.9345 -9.9304 1.5004 1.5584 1.7621 1.8353 1.9913 2.0090 2.1034 2.1406 2.3619 2.4201 2.5264 2.6054 2.6445 2.7056 2.7944 2.8520 2.8841 2.9898 3.0670 3.1038 3.5320 3.5555 3.6860 3.7234 3.9653 3.9945 4.9719 5.0057 5.6053 5.6558 5.6840 5.7260 14.1387 14.1448 15.0153 15.0209 15.4392 15.4408 15.5124 15.5132 k = 0.2872 0.4974-0.0000 ( 1753 PWs) bands (ev): -10.0577 -10.0546 -9.9306 -9.9263 1.4976 1.5611 1.7457 1.8150 1.9835 2.0164 2.0833 2.1106 2.3528 2.4087 2.5290 2.5950 2.6231 2.7065 2.7943 2.8583 2.8912 3.0210 3.0851 3.1246 3.5212 3.5368 3.7125 3.7639 4.0054 4.0300 4.9224 4.9568 5.6359 5.6860 5.7245 5.7680 14.0211 14.0277 15.0130 15.0189 15.4928 15.4948 15.5344 15.5353 k = 0.2821 0.4885-0.0000 ( 1745 PWs) bands (ev): -10.0692 -10.0662 -9.9270 -9.9225 1.4952 1.5639 1.7279 1.7923 1.9737 2.0222 2.0674 2.0822 2.3442 2.3988 2.5310 2.5824 2.6025 2.7064 2.7939 2.8646 2.8995 3.0494 3.1043 3.1452 3.5051 3.5170 3.7491 3.8079 4.0489 4.0688 4.8734 4.9084 5.6679 5.7178 5.7657 5.8102 13.9014 13.9084 15.0108 15.0171 15.5432 15.5446 15.5595 15.5596 k = 0.2769 0.4796-0.0000 ( 1741 PWs) bands (ev): -10.0813 -10.0783 -9.9238 -9.9192 1.4930 1.5665 1.7084 1.7674 1.9624 2.0248 2.0551 2.0573 2.3359 2.3896 2.5315 2.5681 2.5837 2.7051 2.7933 2.8706 2.9081 3.0726 3.1250 3.1679 3.4862 3.4968 3.7924 3.8538 4.0962 4.1107 4.8253 4.8604 5.7012 5.7511 5.8072 5.8524 13.7799 13.7873 15.0088 15.0155 15.5787 15.5812 15.5949 15.5990 k = 0.2718 0.4708-0.0000 ( 1737 PWs) bands (ev): -10.0938 -10.0910 -9.9210 -9.9163 1.4912 1.5689 1.6876 1.7408 1.9506 2.0176 2.0430 2.0454 2.3275 2.3809 2.5283 2.5529 2.5690 2.7031 2.7924 2.8763 2.9159 3.0891 3.1473 3.1949 3.4660 3.4764 3.8402 3.9007 4.1472 4.1560 4.7783 4.8133 5.7358 5.7858 5.8490 5.8946 13.6569 13.6646 15.0070 15.0140 15.6058 15.6086 15.6394 15.6442 k = 0.2667 0.4619-0.0000 ( 1729 PWs) bands (ev): -10.1069 -10.1042 -9.9186 -9.9138 1.4896 1.5710 1.6655 1.7132 1.9390 1.9995 2.0375 2.0407 2.3191 2.3726 2.5186 2.5370 2.5612 2.7005 2.7913 2.8816 2.9228 3.0992 3.1713 3.2260 3.4452 3.4563 3.8908 3.9481 4.2021 4.2047 4.7328 4.7674 5.7716 5.8216 5.8908 5.9368 13.5326 13.5407 15.0053 15.0126 15.6337 15.6369 15.6814 15.6868 k = 0.2615 0.4530-0.0000 ( 1737 PWs) bands (ev): -10.1206 -10.1179 -9.9166 -9.9117 1.4882 1.5728 1.6425 1.6852 1.9278 1.9802 2.0303 2.0403 2.3102 2.3644 2.5033 2.5207 2.5593 2.6974 2.7899 2.8866 2.9281 3.1044 3.1965 3.2599 3.4243 3.4364 3.9431 3.9953 4.2569 4.2604 4.6893 4.7228 5.8085 5.8585 5.9326 5.9787 13.4073 13.4156 15.0037 15.0113 15.6631 15.6668 15.7198 15.7258 k = 0.2564 0.4441-0.0000 ( 1735 PWs) bands (ev): -10.1347 -10.1321 -9.9151 -9.9101 1.4872 1.5739 1.6188 1.6578 1.9173 1.9623 2.0234 2.0390 2.3012 2.3566 2.4858 2.5042 2.5603 2.6942 2.7882 2.8912 2.9322 3.1064 3.2226 3.2952 3.4040 3.4173 3.9963 4.0425 4.3124 4.3218 4.6485 4.6802 5.8463 5.8963 5.9743 6.0204 13.2813 13.2898 15.0022 15.0101 15.6944 15.6985 15.7543 15.7609 k = 0.2513 0.4352-0.0000 ( 1739 PWs) bands (ev): -10.1494 -10.1468 -9.9140 -9.9089 1.4865 1.5736 1.5950 1.6322 1.9074 1.9462 2.0165 2.0362 2.2918 2.3490 2.4679 2.4875 2.5625 2.6907 2.7862 2.8954 2.9351 3.1060 3.2487 3.3301 3.3850 3.3990 4.0498 4.0895 4.3711 4.3856 4.6111 4.6399 5.8851 5.9350 6.0158 6.0618 13.1546 13.1633 15.0006 15.0088 15.7274 15.7320 15.7844 15.7914 k = 0.2462 0.4264-0.0000 ( 1739 PWs) bands (ev): -10.1645 -10.1620 -9.9134 -9.9082 1.4861 1.5693 1.5713 1.6113 1.8980 1.9318 2.0093 2.0319 2.2821 2.3416 2.4501 2.4708 2.5653 2.6873 2.7840 2.8991 2.9372 3.1041 3.2741 3.3541 3.3772 3.3821 4.1034 4.1364 4.4324 4.4500 4.5791 4.6029 5.9245 5.9744 6.0570 6.1029 13.0275 13.0363 14.9989 15.0072 15.7625 15.7675 15.8096 15.8169 k = 0.2410 0.4175-0.0000 ( 1747 PWs) bands (ev): -10.1800 -10.1777 -9.9132 -9.9079 1.4858 1.5481 1.5564 1.6000 1.8889 1.9187 2.0017 2.0259 2.2718 2.3345 2.4326 2.4541 2.5683 2.6838 2.7814 2.9020 2.9385 3.1010 3.2971 3.3422 3.3674 3.4049 4.1570 4.1831 4.4941 4.5039 4.5637 4.5713 5.9646 6.0144 6.0980 6.1435 12.9000 12.9090 14.9969 15.0054 15.7992 15.8046 15.8299 15.8372 k = 0.2359 0.4086-0.0000 ( 1747 PWs) bands (ev): -10.1960 -10.1938 -9.9134 -9.9080 1.4857 1.5259 1.5367 1.5968 1.8801 1.9069 1.9938 2.0184 2.2613 2.3275 2.4156 2.4374 2.5717 2.6805 2.7785 2.9043 2.9394 3.0970 3.3136 3.3254 3.3587 3.4369 4.2107 4.2298 4.5063 4.5262 4.5758 4.6067 6.0053 6.0550 6.1386 6.1838 12.7725 12.7815 14.9943 15.0029 15.8355 15.8373 15.8510 15.8540 k = 0.2308 0.3997-0.0000 ( 1749 PWs) bands (ev): -10.2124 -10.2103 -9.9140 -9.9086 1.4851 1.5054 1.5152 1.5968 1.8716 1.8961 1.9854 2.0096 2.2502 2.3204 2.3991 2.4209 2.5753 2.6773 2.7752 2.9057 2.9401 3.0923 3.3091 3.3156 3.3632 3.4671 4.2644 4.2758 4.4914 4.5068 4.6383 4.6745 6.0464 6.0959 6.1788 6.2235 12.6449 12.6539 14.9909 14.9997 15.8481 15.8533 15.8852 15.8901 k = 0.2256 0.3908-0.0000 ( 1749 PWs) bands (ev): -10.2292 -10.2272 -9.9151 -9.9096 1.4784 1.4925 1.4941 1.5980 1.8632 1.8861 1.9765 1.9995 2.2387 2.3130 2.3831 2.4046 2.5791 2.6743 2.7716 2.9059 2.9406 3.0871 3.2938 3.3072 3.3765 3.4941 4.3184 4.3204 4.4814 4.4877 4.7076 4.7462 6.0879 6.1372 6.2186 6.2628 12.5174 12.5265 14.9864 14.9953 15.8492 15.8546 15.9283 15.9346 k = 0.2205 0.3819-0.0000 ( 1749 PWs) bands (ev): -10.2464 -10.2444 -9.9166 -9.9111 1.4619 1.4741 1.4910 1.5998 1.8549 1.8768 1.9672 1.9884 2.2267 2.3051 2.3674 2.3886 2.5830 2.6715 2.7677 2.9051 2.9412 3.0815 3.2798 3.2964 3.3898 3.5172 4.3612 4.3725 4.4744 4.4817 4.7786 4.8192 6.1296 6.1787 6.2579 6.3015 12.3901 12.3992 14.9805 14.9893 15.8433 15.8480 15.9750 15.9821 k = 0.2154 0.3731-0.0000 ( 1745 PWs) bands (ev): -10.2639 -10.2620 -9.9186 -9.9130 1.4447 1.4556 1.4918 1.6018 1.8465 1.8681 1.9577 1.9764 2.2144 2.2963 2.3520 2.3731 2.5872 2.6691 2.7636 2.9032 2.9419 3.0755 3.2670 3.2860 3.4003 3.5359 4.3946 4.4262 4.4687 4.4969 4.8506 4.8928 6.1714 6.2203 6.2967 6.3396 12.2632 12.2722 14.9727 14.9814 15.8307 15.8343 16.0247 16.0323 k = 0.2103 0.3642-0.0000 ( 1751 PWs) bands (ev): -10.2817 -10.2799 -9.9209 -9.9152 1.4286 1.4386 1.4932 1.6039 1.8381 1.8597 1.9477 1.9638 2.2015 2.2863 2.3367 2.3582 2.5914 2.6669 2.7592 2.9001 2.9425 3.0691 3.2556 3.2765 3.4069 3.5493 4.4194 4.4627 4.4881 4.5286 4.9231 4.9666 6.2133 6.2620 6.3349 6.3770 12.1365 12.1455 14.9624 14.9709 15.8119 15.8142 16.0772 16.0854 k = 0.2051 0.3553-0.0000 ( 1751 PWs) bands (ev): -10.2997 -10.2981 -9.9236 -9.9179 1.4139 1.4233 1.4950 1.6061 1.8296 1.8517 1.9376 1.9508 2.1881 2.2748 2.3215 2.3439 2.5959 2.6650 2.7546 2.8961 2.9430 3.0625 3.2455 3.2683 3.4094 3.5575 4.4409 4.4738 4.5416 4.5717 4.9958 5.0402 6.2551 6.3037 6.3726 6.4138 12.0104 12.0192 14.9490 14.9572 15.7877 15.7886 16.1327 16.1414 k = 0.2000 0.3464-0.0000 ( 1755 PWs) bands (ev): -10.3180 -10.3164 -9.9267 -9.9210 1.4008 1.4096 1.4971 1.6084 1.8210 1.8440 1.9274 1.9375 2.1744 2.2617 2.3060 2.3300 2.6005 2.6636 2.7499 2.8911 2.9434 3.0556 3.2367 3.2615 3.4079 3.5604 4.4646 4.4903 4.5981 4.6208 5.0684 5.1135 6.2968 6.3452 6.4096 6.4499 11.8848 11.8935 14.9317 14.9394 15.7587 15.7592 16.1912 16.2005 k = 0.1949 0.3375-0.0000 ( 1751 PWs) bands (ev): -10.3365 -10.3350 -9.9301 -9.9244 1.3892 1.3976 1.4994 1.6108 1.8124 1.8365 1.9172 1.9242 2.1603 2.2473 2.2902 2.3166 2.6052 2.6625 2.7452 2.8855 2.9436 3.0487 3.2291 3.2561 3.4027 3.5584 4.4927 4.5141 4.6558 4.6734 5.1406 5.1862 6.3383 6.3865 6.4461 6.4853 11.7598 11.7684 14.9097 14.9167 15.7260 15.7277 16.2528 16.2626 k = 0.1897 0.3286-0.0000 ( 1751 PWs) bands (ev): -10.3552 -10.3538 -9.9339 -9.9282 1.3791 1.3873 1.5019 1.6132 1.8036 1.8290 1.9069 1.9110 2.1459 2.2315 2.2740 2.3030 2.6101 2.6618 2.7406 2.8793 2.9437 3.0418 3.2226 3.2520 3.3942 3.5520 4.5259 4.5447 4.7145 4.7282 5.2122 5.2581 6.3794 6.4275 6.4819 6.5199 11.6354 11.6439 14.8822 14.8882 15.6921 15.6948 16.3176 16.3279 k = 0.1846 0.3198-0.0000 ( 1751 PWs) bands (ev): -10.3740 -10.3726 -9.9380 -9.9323 1.3706 1.3786 1.5046 1.6156 1.7948 1.8216 1.8968 1.8980 2.1311 2.2148 2.2572 2.2891 2.6151 2.6616 2.7361 2.8727 2.9436 3.0349 3.2170 3.2491 3.3830 3.5421 4.5642 4.5815 4.7741 4.7847 5.2831 5.3291 6.4202 6.4682 6.5171 6.5537 11.5118 11.5201 14.8482 14.8531 15.6586 15.6620 16.3857 16.3965 k = 0.1795 0.3109-0.0000 ( 1751 PWs) bands (ev): -10.3928 -10.3916 -9.9424 -9.9367 1.3635 1.3715 1.5074 1.6179 1.7858 1.8142 1.8854 1.8867 2.1162 2.1974 2.2398 2.2744 2.6203 2.6618 2.7320 2.8659 2.9433 3.0281 3.2123 3.2474 3.3696 3.5293 4.6072 4.6239 4.8346 4.8427 5.3530 5.3990 6.4604 6.5084 6.5517 6.5868 11.3890 11.3971 14.8073 14.8107 15.6270 15.6307 16.4571 16.4683 k = 0.1744 0.3020-0.0000 ( 1751 PWs) bands (ev): -10.4117 -10.4106 -9.9470 -9.9414 1.3580 1.3659 1.5103 1.6203 1.7768 1.8067 1.8733 1.8768 2.1011 2.1794 2.2216 2.2588 2.6255 2.6624 2.7281 2.8590 2.9427 3.0214 3.2083 3.2467 3.3547 3.5145 4.6546 4.6712 4.8960 4.9020 5.4218 5.4677 6.4999 6.5481 6.5857 6.6190 11.2670 11.2749 14.7588 14.7606 15.5983 15.6020 16.5319 16.5436 k = 0.1692 0.2931-0.0000 ( 1751 PWs) bands (ev): -10.4307 -10.4296 -9.9520 -9.9463 1.3538 1.3618 1.5132 1.6226 1.7678 1.7990 1.8618 1.8670 2.0860 2.1614 2.2025 2.2421 2.6309 2.6634 2.7247 2.8522 2.9420 3.0150 3.2047 3.2467 3.3388 3.4982 4.7058 4.7225 4.9584 4.9625 5.4893 5.5350 6.5388 6.5872 6.6190 6.6505 11.1458 11.1536 14.7029 14.7030 15.5732 15.5768 16.6102 16.6224 k = 0.1641 0.2842-0.0000 ( 1755 PWs) bands (ev): -10.4496 -10.4486 -9.9571 -9.9515 1.3510 1.3592 1.5162 1.6248 1.7588 1.7913 1.8509 1.8575 2.0707 2.1428 2.1827 2.2241 2.6363 2.6649 2.7217 2.8455 2.9410 3.0087 3.2015 3.2473 3.3224 3.4812 4.7604 4.7775 5.0216 5.0242 5.5554 5.6008 6.5769 6.6257 6.6517 6.6810 11.0256 11.0331 14.6381 14.6398 15.5521 15.5552 16.6920 16.7046 k = 0.1590 0.2754-0.0000 ( 1757 PWs) bands (ev): -10.4684 -10.4675 -9.9625 -9.9569 1.3496 1.3578 1.5192 1.6270 1.7499 1.7834 1.8407 1.8481 2.0555 2.1244 2.1620 2.2050 2.6418 2.6668 2.7192 2.8391 2.9399 3.0026 3.1984 3.2481 3.3061 3.4639 4.8181 4.8356 5.0857 5.0868 5.6201 5.6651 6.6140 6.6634 6.6838 6.7108 10.9063 10.9136 14.5667 14.5701 15.5348 15.5374 16.7774 16.7904 k = 0.1538 0.2665-0.0000 ( 1765 PWs) bands (ev): -10.4871 -10.4863 -9.9680 -9.9625 1.3493 1.3577 1.5222 1.6289 1.7411 1.7753 1.8312 1.8388 2.0404 2.1059 2.1406 2.1847 2.6474 2.6690 2.7173 2.8331 2.9384 2.9967 3.1953 3.2484 3.2907 3.4467 4.8783 4.8963 5.1504 5.1506 5.6832 5.7277 6.6501 6.7004 6.7155 6.7397 10.7880 10.7951 14.4895 14.4946 15.5211 15.5232 16.8664 16.8797 k = 0.1487 0.2576-0.0000 ( 1765 PWs) bands (ev): -10.5057 -10.5049 -9.9737 -9.9683 1.3502 1.3589 1.5251 1.6308 1.7326 1.7673 1.8225 1.8299 2.0255 2.0876 2.1185 2.1634 2.6530 2.6717 2.7159 2.8275 2.9368 2.9910 3.1921 3.2466 3.2782 3.4301 4.9408 4.9592 5.2150 5.2164 5.7446 5.7885 6.6850 6.7365 6.7466 6.7677 10.6707 10.6776 14.4075 14.4140 15.5105 15.5120 16.9590 16.9726 k = 0.1436 0.2487-0.0000 ( 1763 PWs) bands (ev): -10.5240 -10.5233 -9.9795 -9.9742 1.3523 1.3612 1.5279 1.6324 1.7243 1.7593 1.8144 1.8210 2.0108 2.0695 2.0959 2.1411 2.6588 2.6748 2.7150 2.8224 2.9349 2.9855 3.1886 3.2396 3.2717 3.4145 5.0053 5.0240 5.2805 5.2829 5.8042 5.8476 6.7187 6.7717 6.7773 6.7949 10.5545 10.5611 14.3216 14.3294 15.5026 15.5036 17.0552 17.0691 k = 0.1385 0.2398-0.0000 ( 1763 PWs) bands (ev): -10.5422 -10.5415 -9.9854 -9.9802 1.3554 1.3646 1.5306 1.6337 1.7164 1.7513 1.8069 1.8124 1.9963 2.0517 2.0728 2.1180 2.6644 2.6781 2.7147 2.8177 2.9328 2.9802 3.1846 3.2278 3.2708 3.4001 5.0714 5.0904 5.3467 5.3501 5.8621 5.9048 6.7510 6.8058 6.8076 6.8213 10.4394 10.4457 14.2325 14.2416 15.4969 15.4975 17.1550 17.1692 k = 0.1333 0.2309-0.0000 ( 1755 PWs) bands (ev): -10.5601 -10.5595 -9.9914 -9.9863 1.3594 1.3689 1.5331 1.6347 1.7090 1.7436 1.8000 1.8039 1.9824 2.0343 2.0494 2.0944 2.6702 2.6817 2.7148 2.8135 2.9304 2.9751 3.1802 3.2143 3.2727 3.3871 5.1390 5.1582 5.4136 5.4179 5.9182 5.9601 6.7820 6.8374 6.8385 6.8473 10.3253 10.3314 14.1412 14.1512 15.4929 15.4931 17.2584 17.2728 k = 0.1282 0.2221-0.0000 ( 1757 PWs) bands (ev): -10.5776 -10.5771 -9.9974 -9.9924 1.3642 1.3739 1.5354 1.6353 1.7021 1.7361 1.7935 1.7956 1.9687 2.0171 2.0258 2.0704 2.6759 2.6856 2.7154 2.8097 2.9277 2.9699 3.1750 3.2004 3.2755 3.3755 5.2077 5.2270 5.4810 5.4861 5.9725 6.0136 6.8115 6.8668 6.8680 6.8745 10.2124 10.2183 14.0481 14.0590 15.4903 15.4904 17.3653 17.3799 k = 0.1231 0.2132-0.0000 ( 1753 PWs) bands (ev): -10.5948 -10.5944 -10.0035 -9.9986 1.3698 1.3798 1.5375 1.6354 1.6958 1.7288 1.7874 1.7874 1.9557 2.0004 2.0021 2.0462 2.6817 2.6897 2.7164 2.8064 2.9248 2.9648 3.1693 3.1871 3.2788 3.3655 5.2772 5.2965 5.5489 5.5548 6.0250 6.0653 6.8395 6.8929 6.8957 6.9042 10.1007 10.1062 13.9541 13.9656 15.4887 15.4891 17.4757 17.4904 k = 0.1179 0.2043-0.0000 ( 1753 PWs) bands (ev): -10.6117 -10.6112 -10.0095 -10.0048 1.3759 1.3862 1.5393 1.6348 1.6901 1.7220 1.7794 1.7816 1.9432 1.9785 1.9840 2.0221 2.6874 2.6939 2.7177 2.8033 2.9216 2.9598 3.1629 3.1743 3.2824 3.3570 5.3474 5.3666 5.6171 5.6238 6.0758 6.1153 6.8662 6.9159 6.9240 6.9339 9.9901 9.9954 13.8595 13.8716 15.4880 15.4886 17.5895 17.6042 k = 0.1128 0.1954-0.0000 ( 1753 PWs) bands (ev): -10.6281 -10.6277 -10.0155 -10.0109 1.3827 1.3931 1.5408 1.6336 1.6852 1.7155 1.7715 1.7761 1.9312 1.9550 1.9677 1.9985 2.6930 2.6983 2.7194 2.8006 2.9181 2.9547 3.1560 3.1623 3.2860 3.3500 5.4180 5.4369 5.6855 5.6928 6.1251 6.1636 6.8915 6.9377 6.9516 6.9626 9.8808 9.8858 13.7649 13.7774 15.4880 15.4888 17.7066 17.7212 k = 0.1077 0.1865-0.0000 ( 1747 PWs) bands (ev): -10.6440 -10.6437 -10.0215 -10.0170 1.3899 1.4006 1.5421 1.6317 1.6812 1.7094 1.7637 1.7709 1.9198 1.9321 1.9511 1.9762 2.6986 2.7029 2.7214 2.7983 2.9145 2.9496 3.1488 3.1514 3.2898 3.3446 5.4887 5.5074 5.7537 5.7617 6.1729 6.2104 6.9156 6.9585 6.9784 6.9903 9.7726 9.7774 13.6707 13.6835 15.4886 15.4895 17.8267 17.8412 k = 0.1026 0.1776-0.0000 ( 1751 PWs) bands (ev): -10.6595 -10.6592 -10.0274 -10.0230 1.3975 1.4082 1.5430 1.6292 1.6778 1.7037 1.7561 1.7659 1.9070 1.9117 1.9333 1.9560 2.7040 2.7075 2.7236 2.7961 2.9106 2.9443 3.1409 3.1412 3.2933 3.3400 5.5592 5.5775 5.8216 5.8301 6.2197 6.2561 6.9385 6.9784 7.0043 7.0167 9.6658 9.6702 13.5774 13.5904 15.4895 15.4905 17.9498 17.9640 k = 0.0974 0.1688-0.0000 ( 1755 PWs) bands (ev): -10.6744 -10.6741 -10.0331 -10.0290 1.4052 1.4160 1.5436 1.6261 1.6750 1.6983 1.7487 1.7610 1.8864 1.9004 1.9137 1.9390 2.7093 2.7121 2.7261 2.7942 2.9064 2.9391 3.1314 3.1336 3.2968 3.3367 5.6294 5.6472 5.8887 5.8977 6.2655 6.3008 6.9602 6.9972 7.0291 7.0418 9.5601 9.5643 13.4853 13.4983 15.4907 15.4917 18.0756 18.0895 k = 0.0923 0.1599-0.0000 ( 1755 PWs) bands (ev): -10.6888 -10.6885 -10.0387 -10.0347 1.4132 1.4240 1.5440 1.6226 1.6727 1.6934 1.7416 1.7564 1.8650 1.8913 1.8929 1.9246 2.7145 2.7168 2.7288 2.7925 2.9022 2.9337 3.1227 3.1261 3.3003 3.3342 5.6988 5.7162 5.9546 5.9639 6.3111 6.3450 6.9807 7.0152 7.0529 7.0657 9.4558 9.4597 13.3948 13.4078 15.4921 15.4932 18.2039 18.2173 k = 0.0872 0.1510-0.0000 ( 1751 PWs) bands (ev): -10.7025 -10.7023 -10.0442 -10.0404 1.4213 1.4319 1.5442 1.6188 1.6707 1.6888 1.7347 1.7518 1.8444 1.8717 1.8831 1.9123 2.7194 2.7216 2.7316 2.7909 2.8980 2.9284 3.1149 3.1190 3.3037 3.3325 5.7674 5.7841 6.0187 6.0281 6.3570 6.3893 7.0002 7.0321 7.0756 7.0883 9.3529 9.3564 13.3063 13.3192 15.4937 15.4948 18.3344 18.3472 k = 0.0821 0.1421-0.0000 ( 1759 PWs) bands (ev): -10.7157 -10.7155 -10.0494 -10.0458 1.4292 1.4395 1.5441 1.6149 1.6689 1.6846 1.7280 1.7473 1.8246 1.8509 1.8756 1.9012 2.7241 2.7263 2.7348 2.7895 2.8935 2.9229 3.1076 3.1119 3.3068 3.3313 5.8346 5.8507 6.0803 6.0894 6.4039 6.4343 7.0186 7.0481 7.0970 7.1096 9.2513 9.2545 13.2201 13.2329 15.4952 15.4963 18.4666 18.4787 k = 0.0769 0.1332-0.0000 ( 1759 PWs) bands (ev): -10.7282 -10.7281 -10.0545 -10.0510 1.4371 1.4469 1.5440 1.6111 1.6673 1.6806 1.7218 1.7430 1.8057 1.8309 1.8689 1.8914 2.7284 2.7310 2.7382 2.7882 2.8890 2.9173 3.1011 3.1053 3.3098 3.3306 5.9003 5.9156 6.1384 6.1469 6.4528 6.4809 7.0359 7.0631 7.1173 7.1295 9.1511 9.1541 13.1367 13.1491 15.4967 15.4978 18.6002 18.6114 k = 0.0718 0.1244-0.0000 ( 1759 PWs) bands (ev): -10.7400 -10.7399 -10.0593 -10.0561 1.4448 1.4540 1.5437 1.6073 1.6657 1.6769 1.7159 1.7386 1.7879 1.8117 1.8630 1.8826 2.7324 2.7357 2.7419 2.7870 2.8846 2.9117 3.0953 3.0991 3.3126 3.3302 5.9642 5.9786 6.1924 6.1999 6.5044 6.5298 7.0522 7.0771 7.1362 7.1480 9.0524 9.0551 13.0563 13.0684 15.4982 15.4993 18.7346 18.7449 k = 0.0667 0.1155-0.0000 ( 1755 PWs) bands (ev): -10.7512 -10.7511 -10.0639 -10.0608 1.4522 1.4607 1.5435 1.6037 1.6641 1.6735 1.7106 1.7344 1.7712 1.7937 1.8577 1.8748 2.7361 2.7404 2.7459 2.7858 2.8803 2.9062 3.0901 3.0935 3.3153 3.3302 6.0257 6.0392 6.2415 6.2477 6.5593 6.5818 7.0675 7.0901 7.1539 7.1652 8.9553 8.9577 12.9793 12.9910 15.4997 15.5007 18.8693 18.8784 k = 0.0615 0.1066-0.0000 ( 1759 PWs) bands (ev): -10.7616 -10.7615 -10.0682 -10.0654 1.4591 1.4667 1.5432 1.6002 1.6625 1.6703 1.7057 1.7300 1.7557 1.7770 1.8532 1.8678 2.7394 2.7450 2.7499 2.7847 2.8759 2.9005 3.0854 3.0882 3.3176 3.3302 6.0847 6.0972 6.2852 6.2899 6.6177 6.6370 7.0816 7.1021 7.1703 7.1810 8.8599 8.8620 12.9061 12.9173 15.5010 15.5020 19.0035 19.0112 k = 0.0564 0.0977-0.0000 ( 1767 PWs) bands (ev): -10.7712 -10.7711 -10.0722 -10.0696 1.4655 1.4719 1.5431 1.5968 1.6609 1.6672 1.7015 1.7254 1.7415 1.7618 1.8492 1.8617 2.7424 2.7493 2.7538 2.7836 2.8717 2.8948 3.0811 3.0835 3.3199 3.3304 6.1407 6.1521 6.3235 6.3268 6.6794 6.6956 7.0948 7.1131 7.1854 7.1954 8.7663 8.7681 12.8371 12.8477 15.5022 15.5031 19.1363 19.1424 k = 0.0513 0.0888-0.0000 ( 1767 PWs) bands (ev): -10.7801 -10.7800 -10.0759 -10.0735 1.4712 1.4765 1.5432 1.5936 1.6593 1.6645 1.6978 1.7205 1.7286 1.7484 1.8458 1.8565 2.7453 2.7537 2.7578 2.7825 2.8678 2.8893 3.0774 3.0792 3.3220 3.3308 6.1933 6.2035 6.3566 6.3588 6.7437 6.7569 7.1069 7.1231 7.1992 7.2084 8.6748 8.6763 12.7726 12.7825 15.5034 15.5042 19.2667 19.2711 k = 0.0462 0.0799-0.0000 ( 1767 PWs) bands (ev): -10.7882 -10.7882 -10.0793 -10.0772 1.4762 1.4804 1.5437 1.5906 1.6577 1.6619 1.6947 1.7148 1.7172 1.7372 1.8429 1.8519 2.7481 2.7578 2.7617 2.7815 2.8641 2.8839 3.0741 3.0755 3.3239 3.3312 6.2422 6.2511 6.3852 6.3866 6.8099 6.8203 7.1181 7.1321 7.2117 7.2201 8.5855 8.5868 12.7129 12.7221 15.5044 15.5051 19.3934 19.3959 k = 0.0410 0.0711-0.0000 ( 1767 PWs) bands (ev): -10.7955 -10.7955 -10.0824 -10.0804 1.4805 1.4836 1.5445 1.5876 1.6563 1.6596 1.6919 1.7075 1.7080 1.7286 1.8405 1.8481 2.7507 2.7617 2.7654 2.7805 2.8606 2.8787 3.0713 3.0723 3.3256 3.3316 6.2868 6.2944 6.4098 6.4107 6.8769 6.8848 7.1282 7.1400 7.2229 7.2304 8.4990 8.4999 12.6585 12.6668 15.5053 15.5060 19.5148 19.5153 k = 0.0359 0.0622-0.0000 ( 1771 PWs) bands (ev): -10.8020 -10.8019 -10.0851 -10.0834 1.4839 1.4860 1.5458 1.5847 1.6549 1.6575 1.6886 1.7002 1.7004 1.7223 1.8385 1.8447 2.7532 2.7653 2.7688 2.7794 2.8574 2.8736 3.0687 3.0694 3.3271 3.3320 6.3267 6.3328 6.4309 6.4318 6.9438 6.9494 7.1375 7.1469 7.2329 7.2395 8.4157 8.4163 12.6096 12.6171 15.5061 15.5067 19.6275 19.6289 k = 0.0308 0.0533-0.0000 ( 1773 PWs) bands (ev): -10.8076 -10.8076 -10.0875 -10.0860 1.4865 1.4879 1.5475 1.5818 1.6538 1.6557 1.6841 1.6927 1.6961 1.7175 1.8368 1.8419 2.7556 2.7685 2.7720 2.7786 2.8547 2.8689 3.0666 3.0671 3.3284 3.3324 6.3614 6.3660 6.4493 6.4503 7.0095 7.0125 7.1461 7.1527 7.2416 7.2472 8.3364 8.3367 12.5666 12.5731 15.5068 15.5073 19.7302 19.7334 k = 0.0256 0.0444-0.0000 ( 1773 PWs) bands (ev): -10.8124 -10.8124 -10.0894 -10.0882 1.4885 1.4893 1.5497 1.5789 1.6528 1.6542 1.6789 1.6856 1.6947 1.7137 1.8356 1.8396 2.7580 2.7709 2.7748 2.7781 2.8524 2.8645 3.0649 3.0651 3.3296 3.3327 6.3905 6.3936 6.4654 6.4667 7.0720 7.0724 7.1546 7.1575 7.2493 7.2538 8.2622 8.2624 12.5297 12.5353 15.5074 15.5078 19.8206 19.8252 k = 0.0205 0.0355-0.0000 ( 1777 PWs) bands (ev): -10.8163 -10.8163 -10.0911 -10.0901 1.4898 1.4902 1.5521 1.5759 1.6521 1.6530 1.6741 1.6794 1.6945 1.7103 1.8346 1.8378 2.7601 2.7719 2.7772 2.7784 2.8505 2.8604 3.0634 3.0635 3.3305 3.3329 6.4135 6.4153 6.4794 6.4811 7.1226 7.1306 7.1613 7.1662 7.2561 7.2593 8.1948 8.1949 12.4993 12.5038 15.5078 15.5082 19.8951 19.9005 k = 0.0154 0.0266-0.0000 ( 1777 PWs) bands (ev): -10.8194 -10.8194 -10.0923 -10.0916 1.4906 1.4908 1.5549 1.5730 1.6517 1.6521 1.6703 1.6744 1.6952 1.7073 1.8340 1.8363 2.7622 2.7717 2.7792 2.7795 2.8493 2.8569 3.0623 3.0623 3.3313 3.3331 6.4306 6.4314 6.4914 6.4931 7.1499 7.1639 7.1813 7.1924 7.2625 7.2642 8.1365 8.1367 12.4755 12.4789 15.5082 15.5084 19.9502 19.9553 k = 0.0103 0.0178-0.0000 ( 1777 PWs) bands (ev): -10.8216 -10.8216 -10.0932 -10.0927 1.4911 1.4912 1.5578 1.5699 1.6514 1.6516 1.6677 1.6705 1.6964 1.7046 1.8337 1.8352 2.7642 2.7707 2.7807 2.7808 2.8488 2.8539 3.0615 3.0615 3.3320 3.3331 6.4420 6.4423 6.5009 6.5022 7.1588 7.1655 7.2200 7.2237 7.2696 7.2696 8.0906 8.0908 12.4586 12.4609 15.5085 15.5086 19.9850 19.9887 k = 0.0051 0.0089-0.0000 ( 1785 PWs) bands (ev): -10.8229 -10.8229 -10.0936 -10.0934 1.4913 1.4914 1.5607 1.5669 1.6511 1.6511 1.6663 1.6678 1.6979 1.7021 1.8335 1.8342 2.7660 2.7693 2.7816 2.7816 2.8489 2.8515 3.0610 3.0610 3.3325 3.3330 6.4485 6.4486 6.5071 6.5078 7.1629 7.1659 7.2417 7.2422 7.2769 7.2778 8.0609 8.0610 12.4486 12.4497 15.5086 15.5087 20.0028 20.0047 k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -10.8233 -10.8233 -10.0937 -10.0937 1.4914 1.4914 1.5638 1.5638 1.6511 1.6511 1.6664 1.6664 1.6999 1.6999 1.8337 1.8337 2.7677 2.7677 2.7819 2.7819 2.8498 2.8498 3.0608 3.0608 3.3328 3.3328 6.4506 6.4506 6.5095 6.5095 7.1651 7.1651 7.2474 7.2474 7.2817 7.2817 8.0505 8.0505 12.4456 12.4456 15.5087 15.5087 20.0087 20.0087 k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -10.8233 -10.8233 -10.0937 -10.0937 1.4914 1.4914 1.5638 1.5638 1.6511 1.6511 1.6664 1.6664 1.6999 1.6999 1.8337 1.8337 2.7677 2.7677 2.7819 2.7819 2.8498 2.8498 3.0608 3.0608 3.3328 3.3328 6.4506 6.4506 6.5095 6.5095 7.1651 7.1651 7.2474 7.2474 7.2817 7.2817 8.0505 8.0505 12.4456 12.4456 15.5087 15.5087 20.0087 20.0087 k = 0.0000 0.0000 0.0101 ( 1785 PWs) bands (ev): -10.8229 -10.8229 -10.0942 -10.0942 1.4915 1.4915 1.5637 1.5637 1.6509 1.6509 1.6649 1.6649 1.6995 1.6995 1.8335 1.8335 2.7678 2.7678 2.7821 2.7821 2.8504 2.8504 3.0607 3.0607 3.3355 3.3355 6.4512 6.4512 6.5100 6.5100 7.1564 7.1564 7.2469 7.2469 7.2811 7.2811 8.0603 8.0603 12.4435 12.4435 15.5106 15.5106 20.0086 20.0086 k = 0.0000 0.0000 0.0202 ( 1785 PWs) bands (ev): -10.8216 -10.8216 -10.0957 -10.0957 1.4916 1.4916 1.5633 1.5633 1.6504 1.6504 1.6606 1.6606 1.6985 1.6985 1.8328 1.8328 2.7683 2.7683 2.7828 2.7828 2.8521 2.8521 3.0603 3.0603 3.3435 3.3435 6.4527 6.4527 6.5115 6.5115 7.1314 7.1314 7.2455 7.2455 7.2793 7.2793 8.0884 8.0884 12.4370 12.4370 15.5163 15.5163 20.0084 20.0084 k = 0.0000 0.0000 0.0303 ( 1785 PWs) bands (ev): -10.8194 -10.8194 -10.0982 -10.0982 1.4918 1.4918 1.5626 1.5626 1.6496 1.6496 1.6537 1.6537 1.6969 1.6969 1.8317 1.8317 2.7691 2.7691 2.7839 2.7839 2.8548 2.8548 3.0596 3.0596 3.3569 3.3569 6.4554 6.4554 6.5140 6.5140 7.0926 7.0926 7.2430 7.2430 7.2766 7.2766 8.1322 8.1322 12.4262 12.4262 15.5257 15.5257 20.0080 20.0080 k = 0.0000 0.0000 0.0403 ( 1773 PWs) bands (ev): -10.8163 -10.8163 -10.1016 -10.1016 1.4923 1.4923 1.5617 1.5617 1.6442 1.6442 1.6487 1.6487 1.6948 1.6948 1.8304 1.8304 2.7703 2.7703 2.7856 2.7856 2.8583 2.8583 3.0587 3.0587 3.3756 3.3756 6.4591 6.4591 6.5175 6.5175 7.0432 7.0432 7.2396 7.2396 7.2730 7.2730 8.1885 8.1885 12.4111 12.4111 15.5390 15.5390 20.0075 20.0075 k = 0.0000 0.0000 0.0504 ( 1767 PWs) bands (ev): -10.8123 -10.8123 -10.1060 -10.1060 1.4927 1.4927 1.5605 1.5605 1.6327 1.6327 1.6472 1.6472 1.6921 1.6921 1.8284 1.8284 2.7717 2.7717 2.7876 2.7876 2.8623 2.8623 3.0576 3.0576 3.3997 3.3997 6.4638 6.4638 6.5219 6.5219 6.9858 6.9858 7.2352 7.2352 7.2685 7.2685 8.2543 8.2543 12.3918 12.3918 15.5561 15.5561 20.0069 20.0069 k = 0.0000 0.0000 0.0605 ( 1755 PWs) bands (ev): -10.8075 -10.8075 -10.1113 -10.1113 1.4933 1.4933 1.5589 1.5589 1.6192 1.6192 1.6455 1.6455 1.6890 1.6890 1.8261 1.8261 2.7736 2.7736 2.7902 2.7902 2.8666 2.8666 3.0562 3.0562 3.4287 3.4287 6.4696 6.4696 6.5273 6.5273 6.9229 6.9229 7.2299 7.2299 7.2631 7.2631 8.3274 8.3274 12.3684 12.3684 15.5769 15.5769 20.0061 20.0061 k = 0.0000 0.0000 0.0706 ( 1755 PWs) bands (ev): -10.8018 -10.8018 -10.1176 -10.1176 1.4939 1.4939 1.5567 1.5567 1.6043 1.6043 1.6435 1.6435 1.6855 1.6855 1.8233 1.8233 2.7756 2.7756 2.7931 2.7931 2.8708 2.8708 3.0545 3.0545 3.4627 3.4627 6.4764 6.4764 6.5337 6.5337 6.8561 6.8561 7.2236 7.2236 7.2568 7.2568 8.4061 8.4061 12.3408 12.3408 15.6014 15.6014 20.0051 20.0051 k = 0.0000 0.0000 0.0807 ( 1755 PWs) bands (ev): -10.7953 -10.7953 -10.1248 -10.1248 1.4947 1.4947 1.5541 1.5541 1.5882 1.5882 1.6412 1.6412 1.6819 1.6819 1.8201 1.8201 2.7778 2.7778 2.7963 2.7963 2.8749 2.8749 3.0525 3.0525 3.5013 3.5013 6.4841 6.4841 6.5410 6.5410 6.7865 6.7865 7.2164 7.2164 7.2496 7.2496 8.4891 8.4891 12.3092 12.3092 15.6298 15.6298 20.0037 20.0037 k = 0.0000 0.0000 0.0908 ( 1755 PWs) bands (ev): -10.7879 -10.7879 -10.1329 -10.1329 1.4955 1.4955 1.5508 1.5508 1.5713 1.5713 1.6386 1.6386 1.6781 1.6781 1.8165 1.8165 2.7804 2.7804 2.7999 2.7999 2.8787 2.8787 3.0502 3.0502 3.5443 3.5443 6.4928 6.4928 6.5492 6.5492 6.7151 6.7151 7.2083 7.2083 7.2415 7.2415 8.5754 8.5754 12.2736 12.2736 15.6619 15.6619 20.0016 20.0016 k = 0.0000 0.0000 0.1009 ( 1755 PWs) bands (ev): -10.7798 -10.7798 -10.1419 -10.1419 1.4965 1.4965 1.5468 1.5468 1.5540 1.5540 1.6357 1.6357 1.6745 1.6745 1.8126 1.8126 2.7831 2.7831 2.8039 2.8039 2.8822 2.8822 3.0476 3.0476 3.5914 3.5914 6.5025 6.5025 6.5583 6.5583 6.6423 6.6423 7.1993 7.1993 7.2326 7.2326 8.6646 8.6646 12.2342 12.2342 15.6978 15.6978 19.9980 19.9980 k = 0.0000 0.0000 0.1109 ( 1755 PWs) bands (ev): -10.7709 -10.7709 -10.1517 -10.1517 1.4976 1.4976 1.5364 1.5364 1.5422 1.5422 1.6326 1.6326 1.6710 1.6710 1.8084 1.8084 2.7862 2.7862 2.8083 2.8083 2.8852 2.8852 3.0448 3.0448 3.6423 3.6423 6.5131 6.5131 6.5683 6.5683 6.5685 6.5685 7.1894 7.1894 7.2228 7.2228 8.7560 8.7560 12.1910 12.1910 15.7376 15.7376 19.9905 19.9905 k = 0.0000 0.0000 0.1210 ( 1749 PWs) bands (ev): -10.7611 -10.7611 -10.1624 -10.1624 1.4988 1.4988 1.5191 1.5191 1.5367 1.5367 1.6293 1.6293 1.6679 1.6679 1.8040 1.8040 2.7894 2.7894 2.8130 2.8130 2.8880 2.8880 3.0419 3.0419 3.6968 3.6968 6.4942 6.4942 6.5245 6.5245 6.5791 6.5791 7.1786 7.1786 7.2121 7.2121 8.8492 8.8492 12.1442 12.1442 15.7812 15.7812 19.9721 19.9721 k = 0.0000 0.0000 0.1311 ( 1755 PWs) bands (ev): -10.7507 -10.7507 -10.1738 -10.1738 1.5000 1.5000 1.5020 1.5020 1.5304 1.5304 1.6258 1.6258 1.6652 1.6652 1.7992 1.7992 2.7928 2.7928 2.8180 2.8180 2.8900 2.8900 3.0384 3.0384 3.7542 3.7542 6.4194 6.4194 6.5368 6.5368 6.5908 6.5908 7.1671 7.1671 7.2007 7.2007 8.9440 8.9440 12.0939 12.0939 15.8285 15.8285 19.9209 19.9209 k = 0.0000 0.0000 0.1412 ( 1761 PWs) bands (ev): -10.7395 -10.7395 -10.1860 -10.1860 1.4854 1.4854 1.5015 1.5015 1.5233 1.5233 1.6220 1.6220 1.6630 1.6630 1.7942 1.7942 2.7964 2.7964 2.8232 2.8232 2.8916 2.8916 3.0347 3.0347 3.8144 3.8144 6.3443 6.3443 6.5500 6.5500 6.6032 6.6032 7.1547 7.1547 7.1885 7.1885 9.0401 9.0401 12.0400 12.0400 15.8797 15.8797 19.8144 19.8144 k = 0.0000 0.0000 0.1513 ( 1755 PWs) bands (ev): -10.7276 -10.7276 -10.1989 -10.1989 1.4696 1.4696 1.5031 1.5031 1.5157 1.5157 1.6182 1.6182 1.6615 1.6615 1.7890 1.7890 2.8002 2.8002 2.8289 2.8289 2.8929 2.8929 3.0308 3.0308 3.8771 3.8771 6.2691 6.2691 6.5639 6.5639 6.6164 6.6164 7.1416 7.1416 7.1755 7.1755 9.1373 9.1373 11.9829 11.9829 15.9348 15.9348 19.6743 19.6743 k = 0.0000 0.0000 0.1614 ( 1755 PWs) bands (ev): -10.7150 -10.7150 -10.2124 -10.2124 1.4547 1.4547 1.5048 1.5048 1.5072 1.5072 1.6142 1.6142 1.6605 1.6605 1.7836 1.7836 2.8042 2.8042 2.8348 2.8348 2.8938 2.8938 3.0267 3.0267 3.9420 3.9420 6.1936 6.1936 6.5785 6.5785 6.6303 6.6303 7.1277 7.1277 7.1619 7.1619 9.2353 9.2353 11.9226 11.9226 15.9937 15.9937 19.5225 19.5225 k = 0.0000 0.0000 0.1715 ( 1755 PWs) bands (ev): -10.7018 -10.7018 -10.2267 -10.2267 1.4407 1.4407 1.4981 1.4981 1.5067 1.5067 1.6100 1.6100 1.6601 1.6601 1.7780 1.7780 2.8083 2.8083 2.8408 2.8408 2.8943 2.8943 3.0224 3.0224 4.0088 4.0088 6.1180 6.1180 6.5939 6.5939 6.6449 6.6449 7.1131 7.1131 7.1475 7.1475 9.3341 9.3341 11.8591 11.8591 16.0566 16.0566 19.3667 19.3667 k = 0.0000 0.0000 0.1815 ( 1756 PWs) bands (ev): -10.6880 -10.6880 -10.2415 -10.2415 1.4279 1.4279 1.4886 1.4886 1.5088 1.5088 1.6058 1.6058 1.6603 1.6603 1.7724 1.7724 2.8125 2.8125 2.8472 2.8472 2.8944 2.8944 3.0177 3.0177 4.0774 4.0774 6.0423 6.0423 6.6099 6.6099 6.6601 6.6601 7.0978 7.0978 7.1325 7.1325 9.4334 9.4334 11.7927 11.7927 16.1234 16.1234 19.2096 19.2096 k = 0.0000 0.0000 0.1916 ( 1756 PWs) bands (ev): -10.6736 -10.6736 -10.2569 -10.2569 1.4162 1.4162 1.4787 1.4787 1.5110 1.5110 1.6014 1.6014 1.6609 1.6609 1.7666 1.7666 2.8168 2.8168 2.8537 2.8537 2.8941 2.8941 3.0129 3.0129 4.1474 4.1474 5.9665 5.9665 6.6266 6.6266 6.6760 6.6760 7.0819 7.0819 7.1169 7.1169 9.5332 9.5332 11.7235 11.7235 16.1942 16.1942 19.0528 19.0528 k = 0.0000 0.0000 0.2017 ( 1756 PWs) bands (ev): -10.6586 -10.6586 -10.2728 -10.2728 1.4058 1.4058 1.4686 1.4686 1.5133 1.5133 1.5970 1.5970 1.6621 1.6621 1.7607 1.7607 2.8211 2.8211 2.8603 2.8603 2.8935 2.8935 3.0078 3.0078 4.2188 4.2188 5.8906 5.8906 6.6438 6.6438 6.6924 6.6924 7.0654 7.0654 7.1007 7.1007 9.6333 9.6333 11.6515 11.6515 16.2690 16.2690 18.8970 18.8970 k = 0.0000 0.0000 0.2118 ( 1756 PWs) bands (ev): -10.6431 -10.6431 -10.2891 -10.2891 1.3967 1.3967 1.4584 1.4584 1.5158 1.5158 1.5925 1.5925 1.6637 1.6637 1.7549 1.7549 2.8255 2.8255 2.8672 2.8672 2.8926 2.8926 3.0025 3.0025 4.2914 4.2914 5.8147 5.8147 6.6615 6.6615 6.7094 6.7094 7.0484 7.0484 7.0840 7.0840 9.7335 9.7335 11.5770 11.5770 16.3477 16.3477 18.7428 18.7428 k = 0.0000 0.0000 0.2219 ( 1756 PWs) bands (ev): -10.6272 -10.6272 -10.3059 -10.3059 1.3889 1.3889 1.4482 1.4482 1.5184 1.5184 1.5880 1.5880 1.6657 1.6657 1.7490 1.7490 2.8300 2.8300 2.8741 2.8741 2.8913 2.8913 2.9969 2.9969 4.3648 4.3648 5.7386 5.7386 6.6798 6.6798 6.7268 6.7268 7.0308 7.0308 7.0668 7.0668 9.8337 9.8337 11.4999 11.4999 16.4305 16.4305 18.5907 18.5907 k = 0.0000 0.0000 0.2320 ( 1756 PWs) bands (ev): -10.6107 -10.6107 -10.3231 -10.3231 1.3825 1.3825 1.4383 1.4383 1.5212 1.5212 1.5835 1.5835 1.6682 1.6682 1.7431 1.7431 2.8344 2.8344 2.8812 2.8812 2.8898 2.8898 2.9911 2.9911 4.4392 4.4392 5.6624 5.6624 6.6984 6.6984 6.7446 6.7446 7.0128 7.0128 7.0491 7.0491 9.9338 9.9338 11.4206 11.4206 16.5173 16.5173 18.4409 18.4409 k = 0.0000 0.0000 0.2421 ( 1756 PWs) bands (ev): -10.5939 -10.5939 -10.3406 -10.3406 1.3774 1.3774 1.4286 1.4286 1.5242 1.5242 1.5790 1.5790 1.6710 1.6710 1.7372 1.7372 2.8388 2.8388 2.8879 2.8879 2.8883 2.8883 2.9852 2.9852 4.5141 4.5141 5.5861 5.5861 6.7174 6.7174 6.7629 6.7629 6.9943 6.9943 7.0310 7.0310 10.0337 10.0337 11.3390 11.3390 16.6082 16.6082 18.2939 18.2939 k = 0.0000 0.0000 0.2521 ( 1762 PWs) bands (ev): -10.5768 -10.5768 -10.3584 -10.3584 1.3736 1.3736 1.4193 1.4193 1.5273 1.5273 1.5745 1.5745 1.6741 1.6741 1.7314 1.7314 2.8432 2.8432 2.8856 2.8856 2.8955 2.8955 2.9789 2.9789 4.5896 4.5896 5.5097 5.5097 6.7368 6.7368 6.7815 6.7815 6.9754 6.9754 7.0126 7.0126 10.1332 10.1332 11.2553 11.2553 16.7031 16.7031 18.1499 18.1499 k = 0.0000 0.0000 0.2622 ( 1762 PWs) bands (ev): -10.5593 -10.5593 -10.3765 -10.3765 1.3713 1.3713 1.4106 1.4106 1.5305 1.5305 1.5701 1.5701 1.6775 1.6775 1.7256 1.7256 2.8476 2.8476 2.8831 2.8831 2.9028 2.9028 2.9725 2.9725 4.6657 4.6657 5.4332 5.4332 6.7564 6.7564 6.8003 6.8003 6.9562 6.9562 6.9939 6.9939 10.2323 10.2323 11.1696 11.1696 16.8021 16.8021 18.0090 18.0090 k = 0.0000 0.0000 0.2723 ( 1756 PWs) bands (ev): -10.5415 -10.5415 -10.3947 -10.3947 1.3702 1.3702 1.4023 1.4023 1.5340 1.5340 1.5657 1.5657 1.6814 1.6814 1.7201 1.7201 2.8519 2.8519 2.8807 2.8807 2.9101 2.9101 2.9662 2.9662 4.7419 4.7419 5.3565 5.3565 6.7762 6.7762 6.8194 6.8194 6.9367 6.9367 6.9749 6.9749 10.3308 10.3308 11.0821 11.0821 16.9051 16.9051 17.8715 17.8715 k = 0.0000 0.0000 0.2824 ( 1756 PWs) bands (ev): -10.5235 -10.5235 -10.4130 -10.4130 1.3703 1.3703 1.3948 1.3948 1.5375 1.5375 1.5614 1.5614 1.6854 1.6854 1.7146 1.7146 2.8561 2.8561 2.8778 2.8778 2.9173 2.9173 2.9596 2.9596 4.8185 4.8185 5.2797 5.2797 6.7963 6.7963 6.8387 6.8387 6.9170 6.9170 6.9557 6.9557 10.4285 10.4285 10.9929 10.9929 17.0122 17.0122 17.7374 17.7374 k = 0.0000 0.0000 0.2925 ( 1762 PWs) bands (ev): -10.5053 -10.5053 -10.4315 -10.4315 1.3715 1.3715 1.3882 1.3882 1.5413 1.5413 1.5572 1.5572 1.6898 1.6898 1.7093 1.7093 2.8601 2.8601 2.8745 2.8745 2.9245 2.9245 2.9527 2.9527 4.8951 4.8951 5.2028 5.2028 6.8164 6.8164 6.8582 6.8582 6.8971 6.8971 6.9363 6.9363 10.5254 10.5254 10.9020 10.9020 17.1233 17.1233 17.6070 17.6070 k = 0.0000 0.0000 0.3026 ( 1762 PWs) bands (ev): -10.4869 -10.4869 -10.4500 -10.4500 1.3741 1.3741 1.3825 1.3825 1.5451 1.5451 1.5531 1.5531 1.6944 1.6944 1.7041 1.7041 2.8639 2.8639 2.8712 2.8712 2.9317 2.9317 2.9458 2.9458 4.9720 4.9720 5.1259 5.1259 6.8366 6.8366 6.8770 6.8770 6.8777 6.8777 6.9168 6.9168 10.6213 10.6213 10.8098 10.8098 17.2383 17.2383 17.4803 17.4803 k = 0.0000 0.0000 0.3127 ( 1762 PWs) bands (ev): -10.4685 -10.4685 -10.4685 -10.4685 1.3777 1.3777 1.3777 1.3777 1.5490 1.5490 1.5490 1.5490 1.6991 1.6991 1.6991 1.6991 2.8676 2.8676 2.8676 2.8676 2.9388 2.9388 2.9388 2.9388 5.0490 5.0490 5.0490 5.0490 6.8568 6.8568 6.8568 6.8568 6.8973 6.8973 6.8973 6.8973 10.7161 10.7161 10.7161 10.7161 17.3574 17.3574 17.3574 17.3574 k = 0.0000 0.0000 0.3127 ( 1762 PWs) bands (ev): -10.4685 -10.4685 -10.4685 -10.4685 1.3777 1.3777 1.3777 1.3777 1.5490 1.5490 1.5490 1.5490 1.6991 1.6991 1.6991 1.6991 2.8676 2.8676 2.8676 2.8676 2.9388 2.9388 2.9388 2.9388 5.0490 5.0490 5.0490 5.0490 6.8568 6.8568 6.8568 6.8568 6.8973 6.8973 6.8973 6.8973 10.7161 10.7161 10.7161 10.7161 17.3574 17.3574 17.3574 17.3574 k = 0.0089 0.0052 0.3127 ( 1762 PWs) bands (ev): -10.4682 -10.4682 -10.4681 -10.4681 1.3765 1.3765 1.3782 1.3782 1.5494 1.5494 1.5494 1.5494 1.6993 1.6993 1.6996 1.6996 2.8659 2.8659 2.8693 2.8693 2.9388 2.9388 2.9388 2.9388 5.0486 5.0486 5.0494 5.0494 6.8551 6.8551 6.8552 6.8552 6.8955 6.8955 6.8959 6.8959 10.7183 10.7183 10.7193 10.7193 17.3562 17.3562 17.3582 17.3582 k = 0.0179 0.0103 0.3127 ( 1764 PWs) bands (ev): -10.4673 -10.4673 -10.4670 -10.4670 1.3744 1.3744 1.3778 1.3778 1.5506 1.5506 1.5507 1.5507 1.6999 1.6999 1.7005 1.7005 2.8641 2.8641 2.8709 2.8710 2.9388 2.9388 2.9388 2.9388 5.0482 5.0482 5.0498 5.0498 6.8498 6.8498 6.8501 6.8501 6.8908 6.8908 6.8914 6.8914 10.7258 10.7258 10.7278 10.7278 17.3546 17.3546 17.3587 17.3587 k = 0.0268 0.0155 0.3127 ( 1772 PWs) bands (ev): -10.4656 -10.4656 -10.4653 -10.4653 1.3715 1.3715 1.3765 1.3765 1.5526 1.5526 1.5528 1.5528 1.7011 1.7011 1.7021 1.7021 2.8622 2.8622 2.8724 2.8724 2.9387 2.9387 2.9388 2.9388 5.0478 5.0478 5.0502 5.0502 6.8403 6.8403 6.8414 6.8414 6.8839 6.8839 6.8841 6.8841 10.7385 10.7385 10.7416 10.7416 17.3527 17.3527 17.3589 17.3589 k = 0.0357 0.0206 0.3127 ( 1776 PWs) bands (ev): -10.4634 -10.4634 -10.4629 -10.4629 1.3680 1.3680 1.3745 1.3745 1.5553 1.5553 1.5557 1.5557 1.7028 1.7028 1.7041 1.7041 2.8604 2.8604 2.8738 2.8738 2.9387 2.9387 2.9389 2.9389 5.0474 5.0474 5.0506 5.0506 6.8261 6.8261 6.8285 6.8285 6.8748 6.8748 6.8755 6.8755 10.7564 10.7564 10.7604 10.7604 17.3503 17.3503 17.3586 17.3586 k = 0.0446 0.0258 0.3127 ( 1772 PWs) bands (ev): -10.4604 -10.4604 -10.4599 -10.4599 1.3639 1.3639 1.3716 1.3716 1.5587 1.5587 1.5595 1.5595 1.7052 1.7052 1.7068 1.7068 2.8586 2.8586 2.8753 2.8753 2.9388 2.9388 2.9391 2.9391 5.0470 5.0470 5.0509 5.0509 6.8070 6.8070 6.8111 6.8111 6.8641 6.8641 6.8659 6.8659 10.7792 10.7792 10.7842 10.7842 17.3473 17.3473 17.3578 17.3578 k = 0.0536 0.0309 0.3127 ( 1768 PWs) bands (ev): -10.4568 -10.4568 -10.4562 -10.4562 1.3592 1.3592 1.3680 1.3680 1.5627 1.5627 1.5641 1.5641 1.7080 1.7080 1.7101 1.7101 2.8568 2.8568 2.8766 2.8766 2.9389 2.9389 2.9394 2.9394 5.0464 5.0464 5.0511 5.0511 6.7833 6.7833 6.7891 6.7891 6.8522 6.8522 6.8554 6.8554 10.8067 10.8067 10.8126 10.8126 17.3437 17.3437 17.3563 17.3563 k = 0.0625 0.0361 0.3127 ( 1764 PWs) bands (ev): -10.4526 -10.4526 -10.4518 -10.4518 1.3540 1.3540 1.3637 1.3637 1.5673 1.5673 1.5694 1.5694 1.7114 1.7114 1.7139 1.7139 2.8551 2.8551 2.8778 2.8778 2.9390 2.9390 2.9399 2.9399 5.0456 5.0456 5.0511 5.0511 6.7552 6.7552 6.7626 6.7626 6.8392 6.8392 6.8437 6.8437 10.8388 10.8388 10.8454 10.8454 17.3392 17.3392 17.3540 17.3540 k = 0.0714 0.0412 0.3127 ( 1764 PWs) bands (ev): -10.4477 -10.4477 -10.4469 -10.4469 1.3484 1.3484 1.3587 1.3587 1.5724 1.5724 1.5754 1.5754 1.7153 1.7153 1.7183 1.7183 2.8533 2.8533 2.8788 2.8788 2.9390 2.9390 2.9403 2.9403 5.0446 5.0446 5.0508 5.0508 6.7233 6.7233 6.7322 6.7322 6.8252 6.8252 6.8308 6.8308 10.8750 10.8750 10.8824 10.8824 17.3338 17.3338 17.3508 17.3508 k = 0.0804 0.0464 0.3127 ( 1768 PWs) bands (ev): -10.4422 -10.4422 -10.4413 -10.4413 1.3424 1.3424 1.3532 1.3532 1.5780 1.5780 1.5820 1.5820 1.7197 1.7197 1.7232 1.7232 2.8515 2.8515 2.8796 2.8796 2.9390 2.9390 2.9409 2.9409 5.0432 5.0432 5.0500 5.0500 6.6880 6.6880 6.6984 6.6984 6.8098 6.8098 6.8166 6.8166 10.9151 10.9151 10.9233 10.9233 17.3271 17.3271 17.3464 17.3464 k = 0.0893 0.0515 0.3127 ( 1760 PWs) bands (ev): -10.4361 -10.4361 -10.4351 -10.4351 1.3360 1.3360 1.3472 1.3472 1.5842 1.5842 1.5893 1.5893 1.7247 1.7247 1.7287 1.7287 2.8499 2.8499 2.8804 2.8804 2.9391 2.9391 2.9417 2.9417 5.0413 5.0413 5.0488 5.0488 6.6499 6.6499 6.6615 6.6615 6.7933 6.7933 6.8011 6.8011 10.9588 10.9588 10.9676 10.9676 17.3190 17.3190 17.3406 17.3406 k = 0.0982 0.0567 0.3127 ( 1760 PWs) bands (ev): -10.4295 -10.4295 -10.4283 -10.4283 1.3293 1.3293 1.3407 1.3407 1.5908 1.5908 1.5970 1.5970 1.7301 1.7301 1.7347 1.7347 2.8483 2.8483 2.8810 2.8810 2.9392 2.9392 2.9425 2.9425 5.0387 5.0387 5.0469 5.0469 6.6093 6.6093 6.6221 6.6221 6.7754 6.7754 6.7842 6.7842 11.0057 11.0057 11.0152 11.0152 17.3092 17.3092 17.3332 17.3332 k = 0.1071 0.0619 0.3127 ( 1760 PWs) bands (ev): -10.4222 -10.4222 -10.4210 -10.4210 1.3224 1.3224 1.3338 1.3338 1.5977 1.5977 1.6053 1.6053 1.7360 1.7360 1.7412 1.7412 2.8467 2.8467 2.8815 2.8815 2.9393 2.9393 2.9436 2.9436 5.0355 5.0355 5.0443 5.0443 6.5667 6.5667 6.5806 6.5806 6.7563 6.7563 6.7659 6.7659 11.0556 11.0556 11.0656 11.0656 17.2975 17.2975 17.3237 17.3237 k = 0.1161 0.0670 0.3127 ( 1760 PWs) bands (ev): -10.4145 -10.4145 -10.4131 -10.4131 1.3153 1.3153 1.3265 1.3265 1.6051 1.6051 1.6140 1.6140 1.7423 1.7423 1.7482 1.7482 2.8452 2.8452 2.8818 2.8818 2.9395 2.9395 2.9448 2.9448 5.0312 5.0312 5.0406 5.0406 6.5226 6.5226 6.5375 6.5375 6.7359 6.7359 6.7464 6.7464 11.1082 11.1082 11.1187 11.1187 17.2835 17.2835 17.3120 17.3120 k = 0.1250 0.0722 0.3127 ( 1764 PWs) bands (ev): -10.4062 -10.4062 -10.4048 -10.4048 1.3079 1.3079 1.3190 1.3190 1.6128 1.6128 1.6231 1.6231 1.7491 1.7491 1.7556 1.7556 2.8438 2.8438 2.8819 2.8819 2.9396 2.9396 2.9461 2.9461 5.0259 5.0259 5.0357 5.0357 6.4773 6.4773 6.4932 6.4932 6.7143 6.7143 6.7256 6.7256 11.1631 11.1631 11.1740 11.1740 17.2669 17.2669 17.2976 17.2976 k = 0.1339 0.0773 0.3127 ( 1760 PWs) bands (ev): -10.3974 -10.3974 -10.3959 -10.3959 1.3005 1.3005 1.3113 1.3113 1.6210 1.6210 1.6328 1.6328 1.7565 1.7565 1.7637 1.7637 2.8425 2.8425 2.8820 2.8820 2.9399 2.9399 2.9477 2.9477 5.0192 5.0192 5.0295 5.0295 6.4315 6.4315 6.4482 6.4482 6.6915 6.6915 6.7036 6.7036 11.2200 11.2200 11.2313 11.2313 17.2474 17.2474 17.2803 17.2803 k = 0.1429 0.0825 0.3127 ( 1760 PWs) bands (ev): -10.3881 -10.3881 -10.3865 -10.3865 1.2930 1.2930 1.3033 1.3033 1.6295 1.6295 1.6428 1.6428 1.7643 1.7643 1.7721 1.7721 2.8413 2.8413 2.8819 2.8819 2.9402 2.9402 2.9494 2.9494 5.0110 5.0110 5.0217 5.0217 6.3854 6.3854 6.4029 6.4029 6.6676 6.6676 6.6804 6.6804 11.2786 11.2786 11.2902 11.2902 17.2248 17.2248 17.2597 17.2597 k = 0.1518 0.0876 0.3127 ( 1760 PWs) bands (ev): -10.3784 -10.3784 -10.3767 -10.3767 1.2854 1.2854 1.2952 1.2952 1.6383 1.6383 1.6532 1.6532 1.7724 1.7724 1.7810 1.7810 2.8403 2.8403 2.8818 2.8818 2.9405 2.9405 2.9513 2.9513 5.0011 5.0011 5.0119 5.0119 6.3397 6.3397 6.3578 6.3578 6.6427 6.6427 6.6562 6.6562 11.3388 11.3388 11.3506 11.3506 17.1987 17.1987 17.2354 17.2354 k = 0.1607 0.0928 0.3127 ( 1758 PWs) bands (ev): -10.3682 -10.3682 -10.3665 -10.3665 1.2777 1.2777 1.2871 1.2871 1.6475 1.6475 1.6639 1.6639 1.7811 1.7811 1.7903 1.7903 2.8393 2.8393 2.8815 2.8815 2.9410 2.9410 2.9534 2.9534 4.9890 4.9890 5.0000 5.0000 6.2947 6.2947 6.3133 6.3133 6.6167 6.6167 6.6309 6.6309 11.4001 11.4001 11.4121 11.4121 17.1691 17.1691 17.2073 17.2073 k = 0.1696 0.0979 0.3127 ( 1758 PWs) bands (ev): -10.3577 -10.3577 -10.3559 -10.3559 1.2701 1.2701 1.2788 1.2788 1.6570 1.6570 1.6749 1.6749 1.7901 1.7901 1.8000 1.8000 2.8385 2.8385 2.8812 2.8812 2.9416 2.9416 2.9557 2.9557 4.9747 4.9747 4.9857 4.9857 6.2510 6.2510 6.2699 6.2699 6.5899 6.5899 6.6047 6.6047 11.4623 11.4623 11.4745 11.4745 17.1357 17.1357 17.1751 17.1751 k = 0.1786 0.1031 0.3127 ( 1758 PWs) bands (ev): -10.3468 -10.3468 -10.3450 -10.3450 1.2625 1.2625 1.2706 1.2706 1.6667 1.6667 1.6862 1.6862 1.7995 1.7995 1.8101 1.8101 2.8378 2.8378 2.8808 2.8808 2.9422 2.9422 2.9581 2.9581 4.9579 4.9579 4.9687 4.9687 6.2089 6.2089 6.2281 6.2281 6.5621 6.5621 6.5775 6.5775 11.5253 11.5253 11.5375 11.5375 17.0984 17.0984 17.1389 17.1389 k = 0.1875 0.1083 0.3127 ( 1752 PWs) bands (ev): -10.3355 -10.3355 -10.3337 -10.3337 1.2551 1.2551 1.2625 1.2625 1.6768 1.6768 1.6979 1.6979 1.8094 1.8094 1.8206 1.8206 2.8373 2.8373 2.8804 2.8804 2.9430 2.9430 2.9607 2.9607 4.9383 4.9383 4.9488 4.9488 6.1689 6.1689 6.1881 6.1881 6.5337 6.5337 6.5496 6.5496 11.5887 11.5887 11.6010 11.6010 17.0575 17.0575 17.0985 17.0985 k = 0.1964 0.1134 0.3127 ( 1752 PWs) bands (ev): -10.3240 -10.3240 -10.3221 -10.3221 1.2477 1.2477 1.2544 1.2544 1.6871 1.6871 1.7097 1.7097 1.8195 1.8195 1.8314 1.8314 2.8369 2.8369 2.8800 2.8800 2.9439 2.9439 2.9634 2.9634 4.9157 4.9157 4.9257 4.9257 6.1313 6.1313 6.1504 6.1504 6.5045 6.5045 6.5209 6.5209 11.6524 11.6524 11.6647 11.6647 17.0130 17.0130 17.0541 17.0541 k = 0.2054 0.1186 0.3127 ( 1754 PWs) bands (ev): -10.3122 -10.3122 -10.3103 -10.3103 1.2405 1.2405 1.2465 1.2465 1.6977 1.6977 1.7218 1.7218 1.8300 1.8300 1.8425 1.8425 2.8367 2.8367 2.8795 2.8795 2.9449 2.9449 2.9664 2.9664 4.8899 4.8899 4.8993 4.8993 6.0965 6.0965 6.1153 6.1153 6.4747 6.4747 6.4915 6.4915 11.7161 11.7161 11.7283 11.7283 16.9651 16.9651 17.0060 17.0060 k = 0.2143 0.1237 0.3127 ( 1746 PWs) bands (ev): -10.3002 -10.3002 -10.2983 -10.2983 1.2335 1.2335 1.2388 1.2388 1.7085 1.7085 1.7341 1.7341 1.8409 1.8409 1.8539 1.8539 2.8367 2.8367 2.8790 2.8790 2.9462 2.9462 2.9695 2.9695 4.8610 4.8610 4.8695 4.8695 6.0646 6.0646 6.0830 6.0830 6.4445 6.4445 6.4616 6.4616 11.7797 11.7797 11.7918 11.7918 16.9142 16.9142 16.9546 16.9546 k = 0.2232 0.1289 0.3127 ( 1742 PWs) bands (ev): -10.2880 -10.2880 -10.2860 -10.2860 1.2267 1.2267 1.2312 1.2312 1.7196 1.7196 1.7466 1.7466 1.8520 1.8520 1.8656 1.8656 2.8369 2.8369 2.8786 2.8786 2.9476 2.9476 2.9728 2.9728 4.8288 4.8288 4.8363 4.8363 6.0359 6.0359 6.0536 6.0536 6.4137 6.4137 6.4312 6.4312 11.8430 11.8430 11.8549 11.8549 16.8607 16.8607 16.9003 16.9003 k = 0.2321 0.1340 0.3127 ( 1750 PWs) bands (ev): -10.2757 -10.2757 -10.2737 -10.2736 1.2200 1.2200 1.2238 1.2238 1.7308 1.7308 1.7592 1.7592 1.8633 1.8633 1.8774 1.8774 2.8371 2.8371 2.8780 2.8780 2.9490 2.9490 2.9761 2.9761 4.7933 4.7933 4.7997 4.7997 6.0104 6.0104 6.0273 6.0273 6.3827 6.3827 6.4004 6.4004 11.9057 11.9057 11.9175 11.9175 16.8050 16.8050 16.8435 16.8435 k = 0.2411 0.1392 0.3127 ( 1746 PWs) bands (ev): -10.2632 -10.2632 -10.2612 -10.2612 1.2137 1.2137 1.2168 1.2168 1.7422 1.7422 1.7720 1.7720 1.8749 1.8749 1.8895 1.8895 2.8376 2.8376 2.8776 2.8776 2.9508 2.9508 2.9796 2.9796 4.7547 4.7547 4.7599 4.7599 5.9880 5.9880 6.0040 6.0040 6.3513 6.3513 6.3693 6.3693 11.9678 11.9678 11.9793 11.9793 16.7477 16.7477 16.7848 16.7848 k = 0.2500 0.1443 0.3127 ( 1752 PWs) bands (ev): -10.2507 -10.2507 -10.2486 -10.2486 1.2076 1.2076 1.2099 1.2099 1.7538 1.7538 1.7848 1.7848 1.8867 1.8867 1.9016 1.9016 2.8383 2.8383 2.8772 2.8772 2.9527 2.9527 2.9833 2.9833 4.7132 4.7132 4.7170 4.7170 5.9687 5.9687 5.9836 5.9836 6.3199 6.3199 6.3379 6.3379 12.0290 12.0290 12.0403 12.0403 16.6891 16.6891 16.7247 16.7247 k = 0.2589 0.1495 0.3127 ( 1752 PWs) bands (ev): -10.2381 -10.2381 -10.2360 -10.2360 1.2019 1.2019 1.2035 1.2035 1.7655 1.7655 1.7977 1.7977 1.8986 1.8986 1.9140 1.9140 2.8392 2.8392 2.8769 2.8769 2.9549 2.9549 2.9872 2.9872 4.6689 4.6689 4.6713 4.6713 5.9523 5.9523 5.9661 5.9661 6.2883 6.2883 6.3064 6.3064 12.0892 12.0892 12.1002 12.1002 16.6298 16.6298 16.6637 16.6637 k = 0.2679 0.1546 0.3127 ( 1756 PWs) bands (ev): -10.2255 -10.2255 -10.2234 -10.2234 1.1964 1.1964 1.1974 1.1974 1.7775 1.7775 1.8107 1.8107 1.9108 1.9108 1.9264 1.9264 2.8402 2.8402 2.8766 2.8766 2.9573 2.9573 2.9912 2.9912 4.6223 4.6223 4.6232 4.6232 5.9386 5.9386 5.9513 5.9513 6.2569 6.2569 6.2749 6.2749 12.1484 12.1484 12.1590 12.1590 16.5702 16.5702 16.6023 16.6023 k = 0.2768 0.1598 0.3127 ( 1754 PWs) bands (ev): -10.2130 -10.2130 -10.2109 -10.2109 1.1913 1.1913 1.1916 1.1916 1.7895 1.7895 1.8237 1.8237 1.9230 1.9230 1.9388 1.9388 2.8415 2.8415 2.8764 2.8764 2.9601 2.9601 2.9954 2.9954 4.5730 4.5730 4.5735 4.5735 5.9274 5.9274 5.9388 5.9388 6.2255 6.2255 6.2434 6.2434 12.2063 12.2063 12.2165 12.2165 16.5107 16.5107 16.5410 16.5410 k = 0.2857 0.1650 0.3127 ( 1746 PWs) bands (ev): -10.2005 -10.2005 -10.1985 -10.1985 1.1863 1.1863 1.1867 1.1867 1.8017 1.8017 1.8367 1.8367 1.9354 1.9354 1.9513 1.9513 2.8430 2.8430 2.8763 2.8763 2.9631 2.9631 2.9999 2.9999 4.5211 4.5211 4.5229 4.5229 5.9185 5.9185 5.9286 5.9286 6.1945 6.1945 6.2121 6.2121 12.2628 12.2628 12.2727 12.2727 16.4518 16.4518 16.4802 16.4802 k = 0.2946 0.1701 0.3127 ( 1742 PWs) bands (ev): -10.1881 -10.1881 -10.1862 -10.1862 1.1813 1.1813 1.1823 1.1823 1.8139 1.8139 1.8496 1.8496 1.9478 1.9478 1.9638 1.9638 2.8447 2.8447 2.8764 2.8764 2.9665 2.9665 3.0045 3.0045 4.4677 4.4677 4.4709 4.4709 5.9115 5.9115 5.9203 5.9203 6.1638 6.1638 6.1811 6.1811 12.3178 12.3178 12.3273 12.3273 16.3937 16.3937 16.4203 16.4203 k = 0.3036 0.1753 0.3127 ( 1746 PWs) bands (ev): -10.1760 -10.1760 -10.1740 -10.1740 1.1767 1.1767 1.1782 1.1782 1.8261 1.8261 1.8624 1.8624 1.9602 1.9602 1.9762 1.9762 2.8465 2.8465 2.8764 2.8764 2.9701 2.9701 3.0092 3.0092 4.4132 4.4132 4.4177 4.4177 5.9063 5.9063 5.9137 5.9137 6.1336 6.1336 6.1503 6.1503 12.3713 12.3713 12.3803 12.3803 16.3368 16.3368 16.3615 16.3615 k = 0.3125 0.1804 0.3127 ( 1748 PWs) bands (ev): -10.1640 -10.1640 -10.1621 -10.1621 1.1725 1.1725 1.1745 1.1745 1.8384 1.8384 1.8751 1.8751 1.9726 1.9726 1.9886 1.9886 2.8485 2.8485 2.8765 2.8765 2.9741 2.9741 3.0140 3.0140 4.3579 4.3579 4.3637 4.3637 5.9025 5.9025 5.9085 5.9085 6.1040 6.1040 6.1200 6.1200 12.4230 12.4230 12.4315 12.4315 16.2813 16.2814 16.3042 16.3042 k = 0.3214 0.1856 0.3127 ( 1744 PWs) bands (ev): -10.1523 -10.1523 -10.1504 -10.1504 1.1688 1.1688 1.1712 1.1712 1.8507 1.8507 1.8877 1.8877 1.9850 1.9850 2.0008 2.0008 2.8506 2.8506 2.8768 2.8768 2.9785 2.9785 3.0190 3.0190 4.3023 4.3023 4.3092 4.3092 5.9000 5.9000 5.9044 5.9044 6.0753 6.0753 6.0903 6.0903 12.4729 12.4729 12.4810 12.4810 16.2276 16.2276 16.2487 16.2487 k = 0.3304 0.1907 0.3127 ( 1748 PWs) bands (ev): -10.1408 -10.1408 -10.1390 -10.1390 1.1654 1.1654 1.1682 1.1682 1.8629 1.8629 1.9000 1.9000 1.9974 1.9974 2.0129 2.0129 2.8528 2.8528 2.8771 2.8771 2.9831 2.9831 3.0241 3.0241 4.2465 4.2465 4.2545 4.2545 5.8986 5.8986 5.9011 5.9011 6.0475 6.0475 6.0612 6.0612 12.5209 12.5209 12.5285 12.5285 16.1757 16.1757 16.1951 16.1951 k = 0.3393 0.1959 0.3127 ( 1744 PWs) bands (ev): -10.1297 -10.1297 -10.1279 -10.1279 1.1624 1.1624 1.1655 1.1655 1.8750 1.8750 1.9120 1.9120 2.0097 2.0097 2.0249 2.0249 2.8553 2.8553 2.8775 2.8775 2.9883 2.9883 3.0295 3.0295 4.1910 4.1910 4.1999 4.1999 5.8979 5.8979 5.8984 5.8984 6.0211 6.0211 6.0330 6.0330 12.5670 12.5670 12.5740 12.5740 16.1259 16.1259 16.1436 16.1436 k = 0.3482 0.2010 0.3127 ( 1748 PWs) bands (ev): -10.1189 -10.1189 -10.1172 -10.1172 1.1598 1.1598 1.1632 1.1632 1.8869 1.8869 1.9236 1.9236 2.0217 2.0217 2.0367 2.0367 2.8577 2.8577 2.8780 2.8780 2.9938 2.9938 3.0349 3.0349 4.1359 4.1359 4.1457 4.1457 5.8955 5.8955 5.8978 5.8978 5.9963 5.9963 6.0057 6.0057 12.6110 12.6110 12.6175 12.6175 16.0783 16.0783 16.0944 16.0944 k = 0.3571 0.2062 0.3127 ( 1750 PWs) bands (ev): -10.1085 -10.1085 -10.1069 -10.1069 1.1575 1.1575 1.1612 1.1612 1.8987 1.8987 1.9349 1.9349 2.0337 2.0337 2.0482 2.0482 2.8603 2.8603 2.8785 2.8785 2.9997 2.9997 3.0405 3.0405 4.0816 4.0816 4.0921 4.0921 5.8918 5.8918 5.8979 5.8979 5.9740 5.9740 5.9797 5.9797 12.6528 12.6528 12.6589 12.6589 16.0331 16.0331 16.0477 16.0477 k = 0.3661 0.2114 0.3127 ( 1746 PWs) bands (ev): -10.0986 -10.0986 -10.0970 -10.0970 1.1556 1.1556 1.1595 1.1595 1.9103 1.9103 1.9457 1.9457 2.0456 2.0456 2.0596 2.0596 2.8629 2.8629 2.8793 2.8793 3.0061 3.0061 3.0463 3.0463 4.0283 4.0283 4.0394 4.0394 5.8861 5.8861 5.8977 5.8977 5.9554 5.9554 5.9557 5.9557 12.6925 12.6925 12.6980 12.6980 15.9903 15.9903 16.0035 16.0035 k = 0.3750 0.2165 0.3127 ( 1750 PWs) bands (ev): -10.0891 -10.0891 -10.0876 -10.0876 1.1540 1.1540 1.1580 1.1580 1.9216 1.9216 1.9559 1.9559 2.0571 2.0571 2.0706 2.0706 2.8655 2.8655 2.8800 2.8800 3.0128 3.0128 3.0522 3.0522 3.9762 3.9762 3.9878 3.9878 5.8770 5.8770 5.8954 5.8954 5.9351 5.9351 5.9418 5.9418 12.7298 12.7298 12.7349 12.7349 15.9501 15.9501 15.9619 15.9619 k = 0.3839 0.2217 0.3127 ( 1748 PWs) bands (ev): -10.0801 -10.0801 -10.0786 -10.0786 1.1528 1.1528 1.1568 1.1568 1.9325 1.9325 1.9656 1.9656 2.0685 2.0685 2.0814 2.0814 2.8682 2.8682 2.8808 2.8808 3.0201 3.0201 3.0582 3.0582 3.9257 3.9257 3.9376 3.9376 5.8640 5.8640 5.8870 5.8870 5.9220 5.9220 5.9336 5.9336 12.7648 12.7648 12.7694 12.7694 15.9126 15.9126 15.9230 15.9230 k = 0.3929 0.2268 0.3127 ( 1748 PWs) bands (ev): -10.0716 -10.0716 -10.0703 -10.0703 1.1518 1.1518 1.1558 1.1558 1.9430 1.9430 1.9746 1.9746 2.0795 2.0795 2.0918 2.0918 2.8708 2.8708 2.8817 2.8817 3.0277 3.0277 3.0644 3.0644 3.8770 3.8770 3.8890 3.8890 5.8485 5.8485 5.8713 5.8713 5.9177 5.9177 5.9294 5.9294 12.7975 12.7975 12.8016 12.8016 15.8777 15.8777 15.8869 15.8869 k = 0.4018 0.2320 0.3127 ( 1748 PWs) bands (ev): -10.0637 -10.0637 -10.0624 -10.0624 1.1510 1.1510 1.1549 1.1549 1.9531 1.9531 1.9829 1.9829 2.0901 2.0901 2.1017 2.1017 2.8734 2.8734 2.8827 2.8827 3.0358 3.0358 3.0706 3.0706 3.8303 3.8303 3.8423 3.8423 5.8320 5.8320 5.8529 5.8529 5.9175 5.9175 5.9277 5.9277 12.8277 12.8277 12.8314 12.8314 15.8455 15.8455 15.8537 15.8537 k = 0.4107 0.2371 0.3127 ( 1748 PWs) bands (ev): -10.0563 -10.0563 -10.0552 -10.0552 1.1505 1.1505 1.1543 1.1543 1.9626 1.9626 1.9905 1.9905 2.1004 2.1004 2.1112 2.1112 2.8759 2.8759 2.8837 2.8837 3.0442 3.0442 3.0770 3.0770 3.7859 3.7859 3.7977 3.7977 5.8158 5.8158 5.8345 5.8345 5.9187 5.9187 5.9274 5.9274 12.8554 12.8554 12.8587 12.8587 15.8161 15.8161 15.8232 15.8232 k = 0.4196 0.2423 0.3127 ( 1756 PWs) bands (ev): -10.0496 -10.0496 -10.0486 -10.0486 1.1502 1.1502 1.1537 1.1537 1.9714 1.9714 1.9971 1.9971 2.1100 2.1100 2.1201 2.1201 2.8782 2.8782 2.8846 2.8846 3.0529 3.0529 3.0832 3.0832 3.7440 3.7440 3.7555 3.7555 5.8004 5.8004 5.8170 5.8170 5.9204 5.9204 5.9278 5.9278 12.8806 12.8806 12.8835 12.8835 15.7895 15.7895 15.7956 15.7956 k = 0.4286 0.2474 0.3127 ( 1756 PWs) bands (ev): -10.0435 -10.0435 -10.0426 -10.0426 1.1500 1.1500 1.1533 1.1533 1.9797 1.9797 2.0031 2.0031 2.1192 2.1192 2.1284 2.1284 2.8804 2.8804 2.8856 2.8856 3.0619 3.0619 3.0895 3.0895 3.7051 3.7051 3.7160 3.7160 5.7862 5.7862 5.8009 5.8009 5.9224 5.9224 5.9285 5.9285 12.9033 12.9033 12.9057 12.9057 15.7656 15.7656 15.7709 15.7709 k = 0.4375 0.2526 0.3127 ( 1756 PWs) bands (ev): -10.0381 -10.0381 -10.0373 -10.0373 1.1499 1.1499 1.1530 1.1530 1.9874 1.9874 2.0082 2.0082 2.1277 2.1277 2.1359 2.1359 2.8825 2.8825 2.8866 2.8866 3.0710 3.0710 3.0957 3.0957 3.6694 3.6694 3.6795 3.6795 5.7735 5.7735 5.7863 5.7863 5.9243 5.9243 5.9295 5.9295 12.9234 12.9234 12.9255 12.9255 15.7447 15.7447 15.7491 15.7491 k = 0.4464 0.2577 0.3127 ( 1760 PWs) bands (ev): -10.0333 -10.0333 -10.0326 -10.0326 1.1500 1.1500 1.1527 1.1527 1.9943 1.9943 2.0124 2.0124 2.1354 2.1354 2.1426 2.1426 2.8844 2.8844 2.8876 2.8876 3.0799 3.0799 3.1016 3.1016 3.6372 3.6372 3.6463 3.6463 5.7623 5.7623 5.7733 5.7733 5.9261 5.9261 5.9304 5.9304 12.9408 12.9408 12.9426 12.9426 15.7265 15.7265 15.7302 15.7302 k = 0.4554 0.2629 0.3127 ( 1760 PWs) bands (ev): -10.0293 -10.0293 -10.0287 -10.0287 1.1501 1.1501 1.1524 1.1524 2.0004 2.0004 2.0157 2.0157 2.1422 2.1422 2.1484 2.1484 2.8860 2.8860 2.8884 2.8884 3.0886 3.0886 3.1070 3.1070 3.6090 3.6090 3.6169 3.6169 5.7529 5.7529 5.7620 5.7620 5.9278 5.9278 5.9313 5.9313 12.9556 12.9556 12.9571 12.9571 15.7111 15.7111 15.7141 15.7141 k = 0.4643 0.2681 0.3127 ( 1762 PWs) bands (ev): -10.0259 -10.0259 -10.0254 -10.0254 1.1503 1.1503 1.1522 1.1522 2.0058 2.0058 2.0181 2.0181 2.1481 2.1481 2.1531 2.1531 2.8874 2.8874 2.8892 2.8892 3.0968 3.0968 3.1116 3.1116 3.5851 3.5851 3.5917 3.5917 5.7452 5.7452 5.7526 5.7526 5.9293 5.9293 5.9320 5.9320 12.9678 12.9678 12.9689 12.9689 15.6986 15.6986 15.7010 15.7010 k = 0.4732 0.2732 0.3127 ( 1758 PWs) bands (ev): -10.0233 -10.0233 -10.0229 -10.0229 1.1505 1.1505 1.1520 1.1520 2.0104 2.0104 2.0197 2.0197 2.1530 2.1530 2.1568 2.1568 2.8886 2.8886 2.8898 2.8898 3.1041 3.1041 3.1154 3.1154 3.5662 3.5662 3.5713 3.5713 5.7395 5.7395 5.7450 5.7450 5.9306 5.9306 5.9326 5.9326 12.9773 12.9773 12.9781 12.9781 15.6890 15.6890 15.6907 15.6907 k = 0.4821 0.2784 0.3127 ( 1758 PWs) bands (ev): -10.0214 -10.0214 -10.0211 -10.0211 1.1508 1.1508 1.1518 1.1518 2.0141 2.0141 2.0203 2.0203 2.1567 2.1567 2.1593 2.1593 2.8895 2.8895 2.8902 2.8902 3.1102 3.1102 3.1178 3.1178 3.5525 3.5525 3.5560 3.5560 5.7355 5.7355 5.7392 5.7392 5.9316 5.9316 5.9329 5.9329 12.9842 12.9842 12.9847 12.9847 15.6822 15.6822 15.6833 15.6833 k = 0.4911 0.2835 0.3127 ( 1756 PWs) bands (ev): -10.0202 -10.0202 -10.0201 -10.0201 1.1511 1.1511 1.1516 1.1516 2.0169 2.0169 2.0201 2.0201 2.1592 2.1592 2.1605 2.1605 2.8901 2.8901 2.8904 2.8904 3.1148 3.1148 3.1186 3.1186 3.5445 3.5445 3.5463 3.5463 5.7336 5.7336 5.7354 5.7354 5.9323 5.9323 5.9330 5.9330 12.9883 12.9883 12.9886 12.9886 15.6782 15.6782 15.6788 15.6788 k = 0.5000 0.2887 0.3127 ( 1760 PWs) bands (ev): -10.0198 -10.0198 -10.0198 -10.0198 1.1513 1.1513 1.1513 1.1513 2.0189 2.0189 2.0189 2.0189 2.1605 2.1605 2.1605 2.1605 2.8903 2.8903 2.8903 2.8903 3.1176 3.1176 3.1176 3.1176 3.5424 3.5424 3.5424 3.5424 5.7335 5.7335 5.7335 5.7335 5.9328 5.9328 5.9328 5.9328 12.9898 12.9898 12.9898 12.9898 15.6770 15.6770 15.6770 15.6770 k = 0.5000 0.2887 0.3127 ( 1760 PWs) bands (ev): -10.0198 -10.0198 -10.0198 -10.0198 1.1513 1.1513 1.1513 1.1513 2.0189 2.0189 2.0189 2.0189 2.1605 2.1605 2.1605 2.1605 2.8903 2.8903 2.8903 2.8903 3.1176 3.1176 3.1176 3.1176 3.5424 3.5424 3.5424 3.5424 5.7335 5.7335 5.7335 5.7335 5.9328 5.9328 5.9328 5.9328 12.9898 12.9898 12.9898 12.9898 15.6770 15.6770 15.6770 15.6770 k = 0.4949 0.2974 0.3127 ( 1756 PWs) bands (ev): -10.0198 -10.0198 -10.0195 -10.0195 1.1512 1.1512 1.1527 1.1527 2.0170 2.0170 2.0202 2.0202 2.1595 2.1595 2.1617 2.1617 2.8831 2.8831 2.8979 2.8979 3.1096 3.1096 3.1259 3.1259 3.5415 3.5415 3.5436 3.5436 5.7273 5.7273 5.7320 5.7320 5.9322 5.9322 5.9362 5.9362 12.9923 12.9923 12.9938 12.9938 15.6771 15.6771 15.6774 15.6774 k = 0.4899 0.3062 0.3127 ( 1760 PWs) bands (ev): -10.0196 -10.0196 -10.0191 -10.0191 1.1523 1.1523 1.1555 1.1555 2.0143 2.0143 2.0208 2.0208 2.1588 2.1588 2.1632 2.1632 2.8759 2.8759 2.9056 2.9056 3.1019 3.1019 3.1343 3.1343 3.5407 3.5407 3.5451 3.5451 5.7141 5.7141 5.7229 5.7229 5.9345 5.9345 5.9420 5.9420 13.0012 13.0012 13.0043 13.0043 15.6776 15.6776 15.6781 15.6781 k = 0.4848 0.3149 0.3127 ( 1760 PWs) bands (ev): -10.0192 -10.0192 -10.0184 -10.0184 1.1548 1.1548 1.1595 1.1595 2.0110 2.0110 2.0205 2.0205 2.1585 2.1585 2.1648 2.1648 2.8690 2.8690 2.9136 2.9136 3.0945 3.0945 3.1431 3.1431 3.5403 3.5403 3.5468 3.5468 5.6946 5.6946 5.7069 5.7069 5.9390 5.9390 5.9492 5.9492 13.0165 13.0165 13.0211 13.0211 15.6785 15.6785 15.6792 15.6792 k = 0.4798 0.3237 0.3127 ( 1756 PWs) bands (ev): -10.0186 -10.0186 -10.0176 -10.0176 1.1586 1.1586 1.1648 1.1648 2.0071 2.0071 2.0195 2.0195 2.1585 2.1585 2.1667 2.1667 2.8623 2.8623 2.9217 2.9217 3.0874 3.0874 3.1520 3.1520 3.5402 3.5402 3.5488 3.5488 5.6697 5.6697 5.6849 5.6849 5.9451 5.9451 5.9572 5.9572 13.0382 13.0382 13.0442 13.0442 15.6798 15.6798 15.6807 15.6807 k = 0.4747 0.3324 0.3127 ( 1748 PWs) bands (ev): -10.0177 -10.0177 -10.0165 -10.0165 1.1636 1.1636 1.1714 1.1714 2.0028 2.0028 2.0178 2.0178 2.1591 2.1591 2.1688 2.1688 2.8558 2.8558 2.9300 2.9300 3.0808 3.0808 3.1612 3.1612 3.5403 3.5403 3.5510 3.5510 5.6402 5.6402 5.6579 5.6579 5.9518 5.9518 5.9653 5.9653 13.0660 13.0660 13.0734 13.0734 15.6815 15.6815 15.6826 15.6826 k = 0.4697 0.3412 0.3127 ( 1752 PWs) bands (ev): -10.0167 -10.0167 -10.0153 -10.0153 1.1698 1.1698 1.1792 1.1792 1.9977 1.9977 2.0152 2.0152 2.1599 2.1599 2.1709 2.1709 2.8494 2.8494 2.9381 2.9381 3.0745 3.0745 3.1705 3.1705 3.5406 3.5406 3.5533 3.5533 5.6065 5.6065 5.6266 5.6266 5.9588 5.9588 5.9732 5.9732 13.0997 13.0997 13.1085 13.1085 15.6835 15.6835 15.6848 15.6848 k = 0.4646 0.3499 0.3127 ( 1752 PWs) bands (ev): -10.0155 -10.0155 -10.0138 -10.0138 1.1773 1.1773 1.1881 1.1881 1.9921 1.9921 2.0118 2.0118 2.1613 2.1613 2.1733 2.1733 2.8431 2.8431 2.9463 2.9463 3.0687 3.0687 3.1799 3.1799 3.5413 3.5413 3.5560 3.5560 5.5692 5.5692 5.5914 5.5914 5.9658 5.9658 5.9807 5.9807 13.1392 13.1392 13.1494 13.1494 15.6859 15.6859 15.6874 15.6874 k = 0.4596 0.3587 0.3127 ( 1752 PWs) bands (ev): -10.0141 -10.0141 -10.0122 -10.0122 1.1859 1.1859 1.1983 1.1983 1.9860 1.9860 2.0077 2.0077 2.1631 2.1631 2.1760 2.1760 2.8368 2.8368 2.9542 2.9542 3.0636 3.0636 3.1895 3.1895 3.5422 3.5422 3.5588 3.5588 5.5286 5.5286 5.5529 5.5529 5.9725 5.9725 5.9877 5.9877 13.1842 13.1842 13.1956 13.1956 15.6885 15.6885 15.6902 15.6902 k = 0.4545 0.3674 0.3127 ( 1752 PWs) bands (ev): -10.0125 -10.0125 -10.0104 -10.0104 1.1956 1.1956 1.2096 1.2096 1.9793 1.9793 2.0028 2.0028 2.1653 2.1653 2.1789 2.1789 2.8306 2.8306 2.9617 2.9617 3.0594 3.0594 3.1992 3.1992 3.5433 3.5433 3.5619 3.5619 5.4851 5.4851 5.5115 5.5115 5.9788 5.9788 5.9943 5.9943 13.2344 13.2344 13.2470 13.2470 15.6915 15.6915 15.6933 15.6933 k = 0.4495 0.3762 0.3127 ( 1748 PWs) bands (ev): -10.0108 -10.0108 -10.0084 -10.0084 1.2065 1.2065 1.2219 1.2219 1.9722 1.9722 1.9973 1.9973 2.1680 2.1680 2.1822 2.1822 2.8244 2.8244 2.9684 2.9684 3.0563 3.0563 3.2089 3.2089 3.5448 3.5448 3.5651 3.5651 5.4390 5.4390 5.4675 5.4675 5.9848 5.9848 6.0003 6.0003 13.2896 13.2896 13.3032 13.3032 15.6946 15.6946 15.6967 15.6967 k = 0.4444 0.3849 0.3127 ( 1748 PWs) bands (ev): -10.0089 -10.0089 -10.0063 -10.0063 1.2183 1.2183 1.2352 1.2352 1.9644 1.9644 1.9912 1.9912 2.1711 2.1711 2.1857 2.1857 2.8181 2.8181 2.9739 2.9739 3.0548 3.0548 3.2187 3.2187 3.5464 3.5464 3.5686 3.5686 5.3906 5.3906 5.4211 5.4211 5.9903 5.9903 6.0059 6.0059 13.3494 13.3494 13.3641 13.3641 15.6980 15.6980 15.7002 15.7002 k = 0.4394 0.3936 0.3127 ( 1746 PWs) bands (ev): -10.0069 -10.0069 -10.0041 -10.0041 1.2312 1.2312 1.2495 1.2495 1.9561 1.9561 1.9845 1.9845 2.1746 2.1746 2.1898 2.1898 2.8117 2.8117 2.9777 2.9777 3.0553 3.0553 3.2285 3.2285 3.5483 3.5483 3.5723 3.5723 5.3402 5.3402 5.3729 5.3729 5.9956 5.9956 6.0111 6.0111 13.4135 13.4135 13.4292 13.4292 15.7015 15.7015 15.7039 15.7039 k = 0.4343 0.4024 0.3127 ( 1746 PWs) bands (ev): -10.0048 -10.0048 -10.0018 -10.0018 1.2449 1.2449 1.2646 1.2646 1.9473 1.9473 1.9772 1.9772 2.1785 2.1785 2.1943 2.1943 2.8050 2.8050 2.9796 2.9796 3.0581 3.0581 3.2382 3.2382 3.5504 3.5504 3.5761 3.5761 5.2884 5.2884 5.3230 5.3230 6.0004 6.0004 6.0159 6.0159 13.4817 13.4817 13.4982 13.4982 15.7051 15.7051 15.7076 15.7076 k = 0.4293 0.4111 0.3127 ( 1738 PWs) bands (ev): -10.0026 -10.0026 -9.9994 -9.9994 1.2595 1.2595 1.2805 1.2805 1.9380 1.9381 1.9696 1.9696 2.1830 2.1830 2.1993 2.1993 2.7983 2.7983 2.9796 2.9796 3.0631 3.0631 3.2479 3.2479 3.5527 3.5527 3.5801 3.5801 5.2353 5.2353 5.2719 5.2719 6.0050 6.0050 6.0203 6.0203 13.5536 13.5536 13.5709 13.5709 15.7087 15.7087 15.7115 15.7115 k = 0.4242 0.4199 0.3127 ( 1742 PWs) bands (ev): -10.0003 -10.0003 -9.9969 -9.9969 1.2749 1.2749 1.2971 1.2971 1.9282 1.9282 1.9615 1.9615 2.1878 2.1878 2.2047 2.2047 2.7910 2.7910 2.9778 2.9778 3.0699 3.0699 3.2573 3.2573 3.5552 3.5552 3.5843 3.5843 5.1814 5.1814 5.2199 5.2199 6.0092 6.0092 6.0244 6.0244 13.6288 13.6288 13.6470 13.6470 15.7123 15.7123 15.7152 15.7152 k = 0.4192 0.4286 0.3127 ( 1746 PWs) bands (ev): -9.9979 -9.9979 -9.9943 -9.9943 1.2909 1.2909 1.3143 1.3143 1.9179 1.9179 1.9531 1.9531 2.1930 2.1930 2.2106 2.2106 2.7835 2.7835 2.9748 2.9748 3.0781 3.0781 3.2665 3.2665 3.5577 3.5577 3.5887 3.5887 5.1270 5.1270 5.1674 5.1674 6.0132 6.0132 6.0283 6.0283 13.7072 13.7072 13.7260 13.7260 15.7157 15.7157 15.7188 15.7188 k = 0.4141 0.4374 0.3127 ( 1750 PWs) bands (ev): -9.9954 -9.9954 -9.9917 -9.9917 1.3075 1.3075 1.3319 1.3319 1.9071 1.9071 1.9443 1.9443 2.1989 2.1989 2.2170 2.2170 2.7755 2.7755 2.9709 2.9709 3.0873 3.0873 3.2754 3.2754 3.5603 3.5603 3.5932 3.5932 5.0726 5.0726 5.1148 5.1148 6.0169 6.0169 6.0319 6.0319 13.7883 13.7883 13.8079 13.8079 15.7188 15.7188 15.7222 15.7222 k = 0.4091 0.4461 0.3127 ( 1754 PWs) bands (ev): -9.9930 -9.9930 -9.9891 -9.9891 1.3245 1.3245 1.3498 1.3498 1.8960 1.8960 1.9353 1.9353 2.2053 2.2053 2.2238 2.2238 2.7671 2.7671 2.9664 2.9664 3.0972 3.0972 3.2840 3.2840 3.5630 3.5630 3.5978 3.5978 5.0186 5.0186 5.0625 5.0625 6.0204 6.0204 6.0353 6.0353 13.8720 13.8720 13.8922 13.8922 15.7215 15.7215 15.7252 15.7252 k = 0.4040 0.4549 0.3127 ( 1758 PWs) bands (ev): -9.9905 -9.9905 -9.9864 -9.9864 1.3420 1.3420 1.3680 1.3680 1.8845 1.8845 1.9262 1.9262 2.2122 2.2122 2.2311 2.2311 2.7582 2.7582 2.9615 2.9615 3.1076 3.1076 3.2922 3.2922 3.5657 3.5657 3.6025 3.6025 4.9653 4.9653 5.0109 5.0109 6.0237 6.0237 6.0384 6.0384 13.9579 13.9579 13.9788 13.9788 15.7236 15.7236 15.7277 15.7277 k = 0.3990 0.4636 0.3127 ( 1758 PWs) bands (ev): -9.9881 -9.9881 -9.9838 -9.9838 1.3597 1.3597 1.3863 1.3863 1.8727 1.8727 1.9170 1.9170 2.2198 2.2198 2.2387 2.2387 2.7488 2.7488 2.9563 2.9563 3.1183 3.1183 3.2999 3.2999 3.5683 3.5683 3.6071 3.6071 4.9133 4.9133 4.9605 4.9605 6.0267 6.0267 6.0413 6.0413 14.0458 14.0458 14.0673 14.0673 15.7250 15.7250 15.7296 15.7296 k = 0.3939 0.4724 0.3127 ( 1756 PWs) bands (ev): -9.9856 -9.9856 -9.9813 -9.9813 1.3776 1.3776 1.4044 1.4044 1.8607 1.8607 1.9078 1.9078 2.2280 2.2280 2.2467 2.2467 2.7389 2.7389 2.9511 2.9511 3.1291 3.1291 3.3070 3.3070 3.5710 3.5710 3.6117 3.6117 4.8628 4.8628 4.9116 4.9116 6.0295 6.0295 6.0440 6.0440 14.1355 14.1355 14.1576 14.1576 15.7251 15.7251 15.7305 15.7305 k = 0.3889 0.4811 0.3127 ( 1756 PWs) bands (ev): -9.9833 -9.9833 -9.9788 -9.9788 1.3955 1.3955 1.4223 1.4223 1.8485 1.8485 1.8986 1.8986 2.2367 2.2367 2.2550 2.2550 2.7286 2.7286 2.9458 2.9458 3.1400 3.1400 3.3135 3.3135 3.5735 3.5735 3.6161 3.6161 4.8143 4.8143 4.8647 4.8647 6.0322 6.0322 6.0465 6.0465 14.2267 14.2267 14.2493 14.2493 15.7237 15.7237 15.7300 15.7300 k = 0.3838 0.4899 0.3127 ( 1756 PWs) bands (ev): -9.9810 -9.9810 -9.9764 -9.9764 1.4132 1.4132 1.4397 1.4397 1.8363 1.8363 1.8895 1.8895 2.2460 2.2460 2.2635 2.2635 2.7178 2.7178 2.9406 2.9406 3.1508 3.1508 3.3193 3.3193 3.5760 3.5760 3.6202 3.6202 4.7683 4.7683 4.8202 4.8202 6.0346 6.0346 6.0488 6.0488 14.3191 14.3191 14.3424 14.3424 15.7200 15.7200 15.7276 15.7276 k = 0.3788 0.4986 0.3127 ( 1756 PWs) bands (ev): -9.9788 -9.9788 -9.9741 -9.9741 1.4305 1.4305 1.4565 1.4565 1.8241 1.8241 1.8807 1.8807 2.2556 2.2556 2.2721 2.2721 2.7066 2.7066 2.9354 2.9354 3.1614 3.1614 3.3244 3.3244 3.5783 3.5783 3.6237 3.6237 4.7251 4.7251 4.7786 4.7786 6.0368 6.0368 6.0509 6.0509 14.4126 14.4126 14.4365 14.4365 15.7131 15.7131 15.7225 15.7225 k = 0.3737 0.5074 0.3127 ( 1756 PWs) bands (ev): -9.9768 -9.9768 -9.9720 -9.9720 1.4473 1.4473 1.4724 1.4724 1.8120 1.8120 1.8722 1.8722 2.2654 2.2654 2.2809 2.2809 2.6952 2.6952 2.9304 2.9304 3.1718 3.1718 3.3285 3.3285 3.5807 3.5807 3.6266 3.6266 4.6853 4.6853 4.7403 4.7403 6.0387 6.0387 6.0528 6.0528 14.5070 14.5070 14.5315 14.5315 15.7019 15.7019 15.7136 15.7136 k = 0.3687 0.5161 0.3127 ( 1756 PWs) bands (ev): -9.9749 -9.9749 -9.9700 -9.9700 1.4634 1.4634 1.4873 1.4873 1.8003 1.8003 1.8643 1.8643 2.2751 2.2751 2.2896 2.2896 2.6836 2.6836 2.9257 2.9257 3.1818 3.1818 3.3317 3.3317 3.5831 3.5831 3.6286 3.6286 4.6491 4.6491 4.7056 4.7056 6.0405 6.0405 6.0545 6.0545 14.6020 14.6020 14.6271 14.6271 15.6844 15.6844 15.6990 15.6990 k = 0.3636 0.5249 0.3127 ( 1764 PWs) bands (ev): -9.9732 -9.9732 -9.9682 -9.9682 1.4783 1.4783 1.5008 1.5008 1.7890 1.7890 1.8569 1.8569 2.2843 2.2843 2.2984 2.2984 2.6722 2.6722 2.9214 2.9214 3.1912 3.1912 3.3340 3.3340 3.5855 3.5855 3.6295 3.6295 4.6170 4.6170 4.6749 4.6749 6.0420 6.0420 6.0560 6.0560 14.6974 14.6974 14.7231 14.7231 15.6585 15.6585 15.6765 15.6765 k = 0.3586 0.5336 0.3127 ( 1756 PWs) bands (ev): -9.9716 -9.9716 -9.9667 -9.9667 1.4920 1.4920 1.5129 1.5129 1.7787 1.7787 1.8505 1.8505 2.2927 2.2927 2.3072 2.3072 2.6613 2.6613 2.9176 2.9176 3.2001 3.2001 3.3354 3.3354 3.5882 3.5882 3.6293 3.6293 4.5893 4.5893 4.6485 4.6485 6.0434 6.0434 6.0573 6.0573 14.7930 14.7930 14.8194 14.8194 15.6217 15.6217 15.6433 15.6433 k = 0.3535 0.5424 0.3127 ( 1748 PWs) bands (ev): -9.9703 -9.9703 -9.9653 -9.9653 1.5040 1.5040 1.5232 1.5232 1.7695 1.7695 1.8450 1.8450 2.3000 2.3000 2.3158 2.3158 2.6512 2.6512 2.9143 2.9143 3.2082 3.2082 3.3360 3.3360 3.5912 3.5912 3.6277 3.6277 4.5665 4.5665 4.6268 4.6268 6.0445 6.0445 6.0584 6.0584 14.8885 14.8885 14.9155 14.9155 15.5723 15.5723 15.5972 15.5972 k = 0.3485 0.5511 0.3127 ( 1754 PWs) bands (ev): -9.9693 -9.9693 -9.9643 -9.9643 1.5137 1.5137 1.5316 1.5316 1.7617 1.7617 1.8405 1.8405 2.3057 2.3057 2.3234 2.3234 2.6423 2.6423 2.9115 2.9115 3.2150 3.2150 3.3359 3.3359 3.5946 3.5946 3.6248 3.6248 4.5485 4.5485 4.6097 4.6097 6.0454 6.0454 6.0592 6.0592 14.9835 14.9835 15.0112 15.0112 15.5102 15.5102 15.5375 15.5375 k = 0.3434 0.5599 0.3127 ( 1750 PWs) bands (ev): -9.9685 -9.9685 -9.9635 -9.9635 1.5210 1.5210 1.5377 1.5377 1.7558 1.7558 1.8373 1.8373 2.3100 2.3100 2.3296 2.3296 2.6354 2.6354 2.9096 2.9096 3.2205 3.2205 3.3354 3.3354 3.5987 3.5987 3.6206 3.6206 4.5357 4.5357 4.5976 4.5976 6.0460 6.0460 6.0598 6.0598 15.0777 15.0777 15.1059 15.1059 15.4371 15.4371 15.4657 15.4657 k = 0.3384 0.5686 0.3127 ( 1742 PWs) bands (ev): -9.9681 -9.9681 -9.9630 -9.9630 1.5255 1.5255 1.5415 1.5415 1.7522 1.7522 1.8354 1.8354 2.3127 2.3127 2.3338 2.3338 2.6309 2.6309 2.9084 2.9084 3.2240 3.2240 3.3349 3.3349 3.6036 3.6036 3.6154 3.6154 4.5281 4.5281 4.5904 4.5904 6.0464 6.0464 6.0601 6.0601 15.1699 15.1699 15.1983 15.1983 15.3564 15.3564 15.3851 15.3851 k = 0.3333 0.5774 0.3127 ( 1746 PWs) bands (ev): -9.9679 -9.9679 -9.9628 -9.9628 1.5270 1.5270 1.5427 1.5427 1.7509 1.7509 1.8348 1.8348 2.3136 2.3136 2.3352 2.3352 2.6293 2.6293 2.9080 2.9080 3.2253 3.2253 3.3346 3.3346 3.6091 3.6091 3.6095 3.6095 4.5256 4.5256 4.5880 4.5880 6.0465 6.0465 6.0603 6.0603 15.2442 15.2442 15.2617 15.2617 15.2971 15.2971 15.3137 15.3137 k = 0.3333 0.5774 0.3127 ( 1746 PWs) bands (ev): -9.9679 -9.9679 -9.9628 -9.9628 1.5270 1.5270 1.5427 1.5427 1.7509 1.7509 1.8348 1.8348 2.3136 2.3136 2.3352 2.3352 2.6293 2.6293 2.9080 2.9080 3.2253 3.2253 3.3346 3.3346 3.6091 3.6091 3.6095 3.6095 4.5256 4.5256 4.5880 4.5880 6.0465 6.0465 6.0603 6.0603 15.2442 15.2442 15.2617 15.2617 15.2971 15.2971 15.3137 15.3137 k = 0.3282 0.5685 0.3127 ( 1744 PWs) bands (ev): -9.9681 -9.9681 -9.9630 -9.9630 1.5254 1.5254 1.5415 1.5415 1.7521 1.7521 1.8354 1.8354 2.3126 2.3126 2.3337 2.3337 2.6310 2.6310 2.9084 2.9084 3.2239 3.2239 3.3349 3.3349 3.6029 3.6029 3.6162 3.6162 4.5281 4.5281 4.5904 4.5904 6.0464 6.0464 6.0601 6.0601 15.1679 15.1679 15.1962 15.1962 15.3587 15.3587 15.3874 15.3874 k = 0.3231 0.5596 0.3127 ( 1748 PWs) bands (ev): -9.9686 -9.9686 -9.9635 -9.9635 1.5210 1.5210 1.5379 1.5379 1.7556 1.7556 1.8371 1.8371 2.3095 2.3095 2.3291 2.3291 2.6361 2.6361 2.9096 2.9096 3.2198 3.2198 3.3356 3.3356 3.5969 3.5969 3.6243 3.6243 4.5356 4.5356 4.5976 4.5976 6.0460 6.0460 6.0598 6.0598 15.0726 15.0726 15.1007 15.1007 15.4444 15.4444 15.4733 15.4733 k = 0.3179 0.5507 0.3127 ( 1754 PWs) bands (ev): -9.9695 -9.9695 -9.9645 -9.9645 1.5139 1.5139 1.5322 1.5322 1.7610 1.7610 1.8397 1.8397 2.3041 2.3041 2.3219 2.3219 2.6442 2.6442 2.9114 2.9114 3.2131 3.2131 3.3363 3.3363 3.5922 3.5922 3.6337 3.6337 4.5477 4.5477 4.6092 4.6093 6.0453 6.0453 6.0591 6.0591 14.9750 14.9750 15.0025 15.0025 15.5265 15.5265 15.5547 15.5547 k = 0.3128 0.5418 0.3127 ( 1756 PWs) bands (ev): -9.9709 -9.9709 -9.9659 -9.9659 1.5046 1.5046 1.5249 1.5249 1.7677 1.7677 1.8430 1.8430 2.2960 2.2960 2.3131 2.3131 2.6549 2.6549 2.9139 2.9139 3.2042 3.2042 3.3364 3.3364 3.5896 3.5896 3.6445 3.6445 4.5642 4.5642 4.6253 4.6253 6.0444 6.0444 6.0582 6.0583 14.8766 14.8766 14.9034 14.9034 15.6024 15.6024 15.6292 15.6292 k = 0.3077 0.5329 0.3127 ( 1756 PWs) bands (ev): -9.9726 -9.9726 -9.9677 -9.9677 1.4936 1.4936 1.5161 1.5161 1.7754 1.7754 1.8469 1.8469 2.2851 2.2851 2.3034 2.3034 2.6677 2.6677 2.9168 2.9168 3.1937 3.1937 3.3350 3.3350 3.5901 3.5901 3.6568 3.6568 4.5848 4.5848 4.6453 4.6453 6.0432 6.0432 6.0571 6.0571 14.7780 14.7780 14.8042 14.8042 15.6705 15.6705 15.6950 15.6950 k = 0.3026 0.5241 0.3127 ( 1756 PWs) bands (ev): -9.9748 -9.9748 -9.9699 -9.9699 1.4811 1.4811 1.5060 1.5060 1.7835 1.7835 1.8510 1.8510 2.2716 2.2716 2.2933 2.2933 2.6819 2.6819 2.9200 2.9200 3.1818 3.1818 3.3316 3.3316 3.5944 3.5944 3.6707 3.6707 4.6092 4.6092 4.6692 4.6692 6.0417 6.0417 6.0558 6.0558 14.6797 14.6797 14.7052 14.7052 15.7295 15.7295 15.7511 15.7511 k = 0.2974 0.5152 0.3127 ( 1764 PWs) bands (ev): -9.9775 -9.9775 -9.9726 -9.9726 1.4676 1.4676 1.4950 1.4950 1.7917 1.7917 1.8551 1.8551 2.2563 2.2563 2.2825 2.2825 2.6969 2.6969 2.9231 2.9231 3.1689 3.1689 3.3258 3.3258 3.6029 3.6029 3.6861 3.6861 4.6370 4.6370 4.6965 4.6965 6.0400 6.0400 6.0541 6.0541 14.5819 14.5819 14.6067 14.6067 15.7790 15.7790 15.7979 15.7979 k = 0.2923 0.5063 0.3127 ( 1760 PWs) bands (ev): -9.9806 -9.9806 -9.9758 -9.9758 1.4534 1.4534 1.4831 1.4831 1.7998 1.7998 1.8592 1.8592 2.2399 2.2399 2.2713 2.2713 2.7125 2.7125 2.9265 2.9265 3.1555 3.1555 3.3176 3.3176 3.6158 3.6158 3.7034 3.7034 4.6681 4.6681 4.7272 4.7272 6.0380 6.0380 6.0523 6.0523 14.4849 14.4849 14.5091 14.5091 15.8201 15.8201 15.8368 15.8368 k = 0.2872 0.4974 0.3127 ( 1760 PWs) bands (ev): -9.9841 -9.9841 -9.9794 -9.9794 1.4387 1.4387 1.4706 1.4706 1.8074 1.8074 1.8632 1.8632 2.2230 2.2230 2.2594 2.2594 2.7279 2.7279 2.9296 2.9296 3.1416 3.1416 3.3073 3.3073 3.6330 3.6330 3.7224 3.7224 4.7022 4.7022 4.7608 4.7608 6.0358 6.0358 6.0503 6.0503 14.3888 14.3888 14.4124 14.4124 15.8543 15.8543 15.8697 15.8697 k = 0.2821 0.4885 0.3127 ( 1760 PWs) bands (ev): -9.9882 -9.9882 -9.9835 -9.9835 1.4236 1.4236 1.4577 1.4577 1.8143 1.8143 1.8668 1.8668 2.2059 2.2059 2.2472 2.2472 2.7431 2.7431 2.9324 2.9324 3.1276 3.1276 3.2952 3.2952 3.6539 3.6539 3.7433 3.7433 4.7390 4.7390 4.7972 4.7972 6.0333 6.0333 6.0481 6.0481 14.2937 14.2937 14.3167 14.3167 15.8835 15.8835 15.8986 15.8986 k = 0.2769 0.4796 0.3127 ( 1756 PWs) bands (ev): -9.9927 -9.9927 -9.9882 -9.9882 1.4085 1.4085 1.4444 1.4444 1.8203 1.8203 1.8702 1.8702 2.1889 2.1889 2.2347 2.2347 2.7576 2.7576 2.9349 2.9349 3.1135 3.1135 3.2817 3.2817 3.6784 3.6784 3.7661 3.7661 4.7783 4.7783 4.8362 4.8362 6.0307 6.0307 6.0457 6.0457 14.1997 14.1997 14.2221 14.2221 15.9094 15.9094 15.9247 15.9247 k = 0.2718 0.4708 0.3127 ( 1756 PWs) bands (ev): -9.9978 -9.9978 -9.9933 -9.9933 1.3933 1.3933 1.4308 1.4308 1.8253 1.8253 1.8731 1.8731 2.1723 2.1723 2.2221 2.2221 2.7714 2.7714 2.9369 2.9369 3.0995 3.0995 3.2674 3.2674 3.7059 3.7059 3.7906 3.7906 4.8199 4.8199 4.8775 4.8775 6.0278 6.0278 6.0431 6.0431 14.1068 14.1068 14.1286 14.1286 15.9332 15.9332 15.9491 15.9491 k = 0.2667 0.4619 0.3127 ( 1760 PWs) bands (ev): -10.0033 -10.0033 -9.9989 -9.9989 1.3783 1.3783 1.4172 1.4172 1.8290 1.8290 1.8756 1.8756 2.1561 2.1561 2.2094 2.2094 2.7840 2.7840 2.9383 2.9383 3.0857 3.0857 3.2523 3.2523 3.7361 3.7361 3.8171 3.8171 4.8637 4.8637 4.9209 4.9209 6.0248 6.0248 6.0404 6.0404 14.0150 14.0150 14.0363 14.0363 15.9559 15.9559 15.9726 15.9726 k = 0.2615 0.4530 0.3127 ( 1752 PWs) bands (ev): -10.0093 -10.0093 -10.0050 -10.0050 1.3635 1.3635 1.4036 1.4036 1.8314 1.8314 1.8778 1.8778 2.1407 2.1407 2.1970 2.1970 2.7958 2.7958 2.9394 2.9394 3.0723 3.0723 3.2371 3.2371 3.7687 3.7687 3.8454 3.8454 4.9094 4.9094 4.9662 4.9662 6.0217 6.0217 6.0376 6.0376 13.9244 13.9244 13.9452 13.9452 15.9781 15.9781 15.9958 15.9958 k = 0.2564 0.4441 0.3127 ( 1746 PWs) bands (ev): -10.0158 -10.0158 -10.0116 -10.0116 1.3491 1.3491 1.3901 1.3901 1.8324 1.8324 1.8796 1.8796 2.1260 2.1260 2.1848 2.1848 2.8063 2.8063 2.9400 2.9400 3.0594 3.0594 3.2217 3.2217 3.8034 3.8034 3.8756 3.8756 4.9569 4.9569 5.0132 5.0132 6.0185 6.0185 6.0348 6.0348 13.8349 13.8349 13.8553 13.8553 16.0004 16.0004 16.0191 16.0191 k = 0.2513 0.4352 0.3127 ( 1742 PWs) bands (ev): -10.0228 -10.0228 -10.0187 -10.0187 1.3350 1.3350 1.3769 1.3769 1.8319 1.8319 1.8809 1.8809 2.1120 2.1120 2.1728 2.1728 2.8157 2.8157 2.9400 2.9400 3.0470 3.0470 3.2064 3.2064 3.8401 3.8401 3.9075 3.9075 5.0060 5.0060 5.0617 5.0617 6.0151 6.0151 6.0320 6.0320 13.7466 13.7466 13.7665 13.7665 16.0230 16.0230 16.0429 16.0429 k = 0.2462 0.4264 0.3127 ( 1742 PWs) bands (ev): -10.0303 -10.0303 -10.0263 -10.0263 1.3215 1.3215 1.3640 1.3640 1.8302 1.8302 1.8815 1.8815 2.0987 2.0987 2.1612 2.1612 2.8237 2.8237 2.9395 2.9395 3.0352 3.0352 3.1913 3.1913 3.8784 3.8784 3.9411 3.9411 5.0564 5.0564 5.1116 5.1116 6.0118 6.0118 6.0292 6.0292 13.6594 13.6594 13.6789 13.6789 16.0464 16.0464 16.0674 16.0674 k = 0.2410 0.4175 0.3127 ( 1754 PWs) bands (ev): -10.0382 -10.0382 -10.0343 -10.0343 1.3085 1.3085 1.3514 1.3514 1.8271 1.8271 1.8815 1.8815 2.0860 2.0860 2.1499 2.1499 2.8304 2.8304 2.9383 2.9383 3.0241 3.0241 3.1763 3.1763 3.9181 3.9181 3.9762 3.9762 5.1081 5.1081 5.1625 5.1625 6.0085 6.0085 6.0264 6.0264 13.5732 13.5732 13.5923 13.5923 16.0705 16.0705 16.0927 16.0927 k = 0.2359 0.4086 0.3127 ( 1750 PWs) bands (ev): -10.0466 -10.0466 -10.0428 -10.0428 1.2962 1.2962 1.3393 1.3393 1.8230 1.8230 1.8808 1.8808 2.0741 2.0741 2.1391 2.1391 2.8361 2.8361 2.9367 2.9367 3.0139 3.0139 3.1619 3.1619 3.9593 3.9593 4.0130 4.0130 5.1608 5.1608 5.2145 5.2145 6.0053 6.0053 6.0239 6.0239 13.4881 13.4881 13.5068 13.5068 16.0958 16.0958 16.1193 16.1193 k = 0.2308 0.3997 0.3127 ( 1750 PWs) bands (ev): -10.0555 -10.0555 -10.0518 -10.0518 1.2846 1.2846 1.3278 1.3278 1.8179 1.8179 1.8794 1.8794 2.0627 2.0627 2.1285 2.1285 2.8406 2.8406 2.9346 2.9346 3.0045 3.0045 3.1479 3.1479 4.0016 4.0016 4.0511 4.0511 5.2144 5.2144 5.2672 5.2672 6.0022 6.0022 6.0216 6.0216 13.4040 13.4040 13.4224 13.4224 16.1223 16.1223 16.1470 16.1470 k = 0.2256 0.3908 0.3127 ( 1750 PWs) bands (ev): -10.0647 -10.0647 -10.0612 -10.0612 1.2737 1.2737 1.3170 1.3170 1.8121 1.8121 1.8773 1.8773 2.0518 2.0518 2.1182 2.1182 2.8440 2.8440 2.9320 2.9320 2.9961 2.9961 3.1344 3.1344 4.0449 4.0449 4.0906 4.0906 5.2687 5.2687 5.3205 5.3205 5.9994 5.9994 6.0197 6.0197 13.3208 13.3208 13.3389 13.3389 16.1501 16.1501 16.1761 16.1761 k = 0.2205 0.3819 0.3127 ( 1746 PWs) bands (ev): -10.0744 -10.0744 -10.0710 -10.0710 1.2637 1.2637 1.3068 1.3068 1.8056 1.8056 1.8744 1.8744 2.0411 2.0411 2.1080 2.1080 2.8464 2.8464 2.9291 2.9291 2.9886 2.9886 3.1214 3.1214 4.0892 4.0892 4.1312 4.1312 5.3235 5.3235 5.3742 5.3742 5.9970 5.9970 6.0183 6.0183 13.2386 13.2386 13.2564 13.2564 16.1793 16.1793 16.2066 16.2066 k = 0.2154 0.3731 0.3127 ( 1746 PWs) bands (ev): -10.0845 -10.0845 -10.0811 -10.0811 1.2545 1.2545 1.2974 1.2974 1.7985 1.7985 1.8709 1.8709 2.0307 2.0307 2.0979 2.0979 2.8479 2.8479 2.9259 2.9259 2.9820 2.9820 3.1090 3.1090 4.1343 4.1343 4.1728 4.1728 5.3785 5.3785 5.4281 5.4281 5.9950 5.9950 6.0175 6.0175 13.1572 13.1572 13.1748 13.1748 16.2101 16.2101 16.2386 16.2386 k = 0.2103 0.3642 0.3127 ( 1742 PWs) bands (ev): -10.0949 -10.0949 -10.0917 -10.0917 1.2461 1.2461 1.2887 1.2887 1.7911 1.7911 1.8667 1.8667 2.0203 2.0203 2.0879 2.0879 2.8486 2.8486 2.9225 2.9225 2.9763 2.9763 3.0973 3.0973 4.1800 4.1800 4.2153 4.2153 5.4337 5.4337 5.4819 5.4819 5.9936 5.9936 6.0174 6.0174 13.0767 13.0767 13.0941 13.0941 16.2423 16.2423 16.2722 16.2722 k = 0.2051 0.3553 0.3127 ( 1742 PWs) bands (ev): -10.1057 -10.1057 -10.1026 -10.1026 1.2386 1.2386 1.2808 1.2808 1.7833 1.7833 1.8620 1.8620 2.0099 2.0099 2.0778 2.0778 2.8485 2.8485 2.9190 2.9190 2.9713 2.9713 3.0861 3.0861 4.2261 4.2261 4.2585 4.2585 5.4886 5.4886 5.5355 5.5355 5.9930 5.9930 6.0184 6.0184 12.9970 12.9970 13.0141 13.0141 16.2762 16.2762 16.3074 16.3074 k = 0.2000 0.3464 0.3127 ( 1742 PWs) bands (ev): -10.1169 -10.1169 -10.1138 -10.1138 1.2320 1.2320 1.2737 1.2737 1.7753 1.7753 1.8568 1.8568 1.9994 1.9994 2.0674 2.0674 2.8479 2.8479 2.9156 2.9156 2.9669 2.9669 3.0755 3.0755 4.2727 4.2727 4.3023 4.3023 5.5432 5.5432 5.5884 5.5884 5.9933 5.9933 6.0206 6.0206 12.9180 12.9180 12.9349 12.9349 16.3116 16.3116 16.3442 16.3442 k = 0.1949 0.3375 0.3127 ( 1742 PWs) bands (ev): -10.1283 -10.1283 -10.1253 -10.1253 1.2264 1.2264 1.2675 1.2675 1.7672 1.7672 1.8511 1.8511 1.9886 1.9886 2.0569 2.0569 2.8469 2.8469 2.9124 2.9124 2.9630 2.9630 3.0656 3.0656 4.3194 4.3194 4.3465 4.3465 5.5969 5.5969 5.6405 5.6405 5.9950 5.9950 6.0244 6.0245 12.8398 12.8398 12.8564 12.8564 16.3486 16.3486 16.3826 16.3826 k = 0.1897 0.3286 0.3127 ( 1738 PWs) bands (ev): -10.1400 -10.1400 -10.1370 -10.1370 1.2217 1.2217 1.2621 1.2621 1.7591 1.7591 1.8452 1.8452 1.9777 1.9777 2.0461 2.0461 2.8456 2.8456 2.9093 2.9093 2.9595 2.9595 3.0562 3.0562 4.3662 4.3662 4.3909 4.3909 5.6495 5.6495 5.6914 5.6914 5.9982 5.9982 6.0303 6.0303 12.7622 12.7622 12.7787 12.7787 16.3872 16.3872 16.4225 16.4225 k = 0.1846 0.3198 0.3127 ( 1734 PWs) bands (ev): -10.1519 -10.1519 -10.1490 -10.1490 1.2178 1.2178 1.2577 1.2577 1.7509 1.7509 1.8389 1.8389 1.9664 1.9664 2.0349 2.0349 2.8441 2.8441 2.9065 2.9065 2.9565 2.9565 3.0474 3.0474 4.4128 4.4128 4.4354 4.4354 5.7004 5.7004 5.7404 5.7404 6.0035 6.0035 6.0387 6.0387 12.6852 12.6852 12.7015 12.7015 16.4274 16.4274 16.4640 16.4640 k = 0.1795 0.3109 0.3127 ( 1730 PWs) bands (ev): -10.1640 -10.1640 -10.1612 -10.1612 1.2150 1.2150 1.2541 1.2541 1.7427 1.7427 1.8324 1.8324 1.9548 1.9548 2.0234 2.0234 2.8425 2.8425 2.9038 2.9038 2.9537 2.9537 3.0392 3.0392 4.4591 4.4591 4.4798 4.4798 5.7489 5.7489 5.7871 5.7871 6.0116 6.0116 6.0503 6.0503 12.6088 12.6088 12.6250 12.6250 16.4690 16.4690 16.5069 16.5069 k = 0.1744 0.3020 0.3127 ( 1730 PWs) bands (ev): -10.1763 -10.1763 -10.1736 -10.1736 1.2130 1.2130 1.2513 1.2513 1.7346 1.7346 1.8256 1.8256 1.9429 1.9429 2.0116 2.0116 2.8409 2.8409 2.9013 2.9013 2.9512 2.9512 3.0314 3.0314 4.5049 4.5049 4.5237 4.5237 5.7943 5.7943 5.8306 5.8306 6.0235 6.0235 6.0658 6.0658 12.5330 12.5330 12.5490 12.5490 16.5119 16.5119 16.5511 16.5511 k = 0.1692 0.2931 0.3127 ( 1740 PWs) bands (ev): -10.1888 -10.1888 -10.1861 -10.1861 1.2118 1.2118 1.2493 1.2493 1.7265 1.7265 1.8186 1.8186 1.9306 1.9306 1.9993 1.9993 2.8394 2.8394 2.8989 2.8989 2.9490 2.9490 3.0241 3.0241 4.5498 4.5498 4.5670 4.5670 5.8357 5.8357 5.8700 5.8700 6.0401 6.0401 6.0859 6.0859 12.4577 12.4577 12.4736 12.4736 16.5560 16.5560 16.5965 16.5965 k = 0.1641 0.2842 0.3127 ( 1736 PWs) bands (ev): -10.2013 -10.2013 -10.1987 -10.1987 1.2116 1.2116 1.2482 1.2482 1.7186 1.7186 1.8116 1.8116 1.9181 1.9181 1.9869 1.9869 2.8380 2.8380 2.8968 2.8968 2.9470 2.9470 3.0173 3.0173 4.5938 4.5938 4.6096 4.6096 5.8726 5.8726 5.9047 5.9047 6.0628 6.0628 6.1111 6.1111 12.3829 12.3829 12.3987 12.3987 16.6011 16.6011 16.6428 16.6428 k = 0.1590 0.2754 0.3127 ( 1732 PWs) bands (ev): -10.2139 -10.2139 -10.2114 -10.2114 1.2121 1.2121 1.2479 1.2479 1.7108 1.7108 1.8043 1.8043 1.9055 1.9055 1.9741 1.9741 2.8369 2.8369 2.8949 2.8949 2.9453 2.9453 3.0109 3.0109 4.6366 4.6366 4.6511 4.6511 5.9050 5.9050 5.9346 5.9346 6.0918 6.0918 6.1411 6.1411 12.3087 12.3087 12.3243 12.3243 16.6471 16.6471 16.6899 16.6899 k = 0.1538 0.2665 0.3127 ( 1732 PWs) bands (ev): -10.2266 -10.2266 -10.2242 -10.2242 1.2135 1.2135 1.2484 1.2484 1.7031 1.7031 1.7969 1.7969 1.8927 1.8927 1.9611 1.9611 2.8360 2.8360 2.8931 2.8931 2.9437 2.9437 3.0050 3.0050 4.6778 4.6778 4.6913 4.6913 5.9336 5.9336 5.9608 5.9608 6.1262 6.1262 6.1750 6.1750 12.2350 12.2350 12.2504 12.2504 16.6937 16.6937 16.7376 16.7376 k = 0.1487 0.2576 0.3127 ( 1736 PWs) bands (ev): -10.2393 -10.2393 -10.2369 -10.2369 1.2156 1.2156 1.2495 1.2495 1.6955 1.6955 1.7892 1.7892 1.8798 1.8798 1.9479 1.9479 2.8352 2.8352 2.8915 2.8915 2.9424 2.9424 2.9993 2.9993 4.7172 4.7172 4.7299 4.7299 5.9599 5.9599 5.9848 5.9848 6.1645 6.1645 6.2118 6.2118 12.1618 12.1618 12.1771 12.1771 16.7407 16.7407 16.7854 16.7854 k = 0.1436 0.2487 0.3127 ( 1740 PWs) bands (ev): -10.2519 -10.2519 -10.2496 -10.2496 1.2184 1.2184 1.2514 1.2514 1.6880 1.6880 1.7813 1.7813 1.8670 1.8670 1.9345 1.9345 2.8346 2.8346 2.8900 2.8900 2.9412 2.9412 2.9940 2.9940 4.7546 4.7546 4.7667 4.7667 5.9849 5.9849 6.0083 6.0083 6.2052 6.2052 6.2505 6.2505 12.0891 12.0891 12.1042 12.1042 16.7876 16.7876 16.8330 16.8330 k = 0.1385 0.2398 0.3127 ( 1740 PWs) bands (ev): -10.2645 -10.2645 -10.2623 -10.2623 1.2219 1.2219 1.2539 1.2539 1.6807 1.6807 1.7731 1.7731 1.8543 1.8543 1.9210 1.9210 2.8343 2.8343 2.8888 2.8888 2.9403 2.9403 2.9891 2.9891 4.7899 4.7899 4.8016 4.8016 6.0100 6.0100 6.0324 6.0324 6.2468 6.2468 6.2900 6.2900 12.0170 12.0170 12.0319 12.0319 16.8343 16.8343 16.8802 16.8802 k = 0.1333 0.2309 0.3127 ( 1744 PWs) bands (ev): -10.2770 -10.2770 -10.2748 -10.2748 1.2261 1.2261 1.2571 1.2571 1.6734 1.6734 1.7646 1.7646 1.8419 1.8419 1.9075 1.9075 2.8342 2.8342 2.8876 2.8876 2.9395 2.9395 2.9844 2.9844 4.8226 4.8226 4.8342 4.8342 6.0360 6.0360 6.0579 6.0579 6.2887 6.2887 6.3297 6.3297 11.9454 11.9454 11.9602 11.9602 16.8802 16.8802 16.9265 16.9266 k = 0.1282 0.2221 0.3127 ( 1740 PWs) bands (ev): -10.2894 -10.2894 -10.2872 -10.2872 1.2309 1.2309 1.2608 1.2608 1.6664 1.6664 1.7557 1.7557 1.8300 1.8300 1.8941 1.8941 2.8343 2.8343 2.8867 2.8867 2.9389 2.9389 2.9800 2.9800 4.8530 4.8530 4.8644 4.8644 6.0635 6.0635 6.0852 6.0852 6.3302 6.3302 6.3691 6.3691 11.8745 11.8745 11.8891 11.8891 16.9252 16.9252 16.9716 16.9716 k = 0.1231 0.2132 0.3127 ( 1740 PWs) bands (ev): -10.3015 -10.3015 -10.2994 -10.2994 1.2362 1.2362 1.2650 1.2650 1.6595 1.6595 1.7463 1.7463 1.8186 1.8186 1.8807 1.8807 2.8345 2.8345 2.8859 2.8859 2.9384 2.9384 2.9759 2.9759 4.8806 4.8806 4.8921 4.8921 6.0929 6.0929 6.1146 6.1146 6.3710 6.3710 6.4078 6.4078 11.8043 11.8043 11.8187 11.8187 16.9688 16.9688 17.0150 17.0150 k = 0.1179 0.2043 0.3127 ( 1738 PWs) bands (ev): -10.3135 -10.3135 -10.3115 -10.3115 1.2420 1.2420 1.2697 1.2697 1.6527 1.6527 1.7363 1.7363 1.8079 1.8079 1.8674 1.8674 2.8350 2.8350 2.8853 2.8853 2.9381 2.9381 2.9722 2.9722 4.9056 4.9056 4.9172 4.9172 6.1244 6.1244 6.1463 6.1463 6.4107 6.4107 6.4455 6.4455 11.7348 11.7348 11.7490 11.7490 17.0106 17.0106 17.0564 17.0564 k = 0.1128 0.1954 0.3127 ( 1746 PWs) bands (ev): -10.3252 -10.3252 -10.3233 -10.3232 1.2482 1.2482 1.2748 1.2748 1.6460 1.6460 1.7259 1.7259 1.7978 1.7978 1.8543 1.8543 2.8354 2.8354 2.8848 2.8848 2.9378 2.9378 2.9685 2.9685 4.9280 4.9280 4.9396 4.9396 6.1582 6.1582 6.1801 6.1801 6.4492 6.4492 6.4821 6.4821 11.6661 11.6661 11.6800 11.6800 17.0503 17.0503 17.0954 17.0954 k = 0.1077 0.1865 0.3127 ( 1746 PWs) bands (ev): -10.3367 -10.3367 -10.3348 -10.3348 1.2548 1.2548 1.2803 1.2803 1.6395 1.6395 1.7150 1.7150 1.7885 1.7885 1.8416 1.8416 2.8361 2.8361 2.8843 2.8843 2.9376 2.9376 2.9652 2.9652 4.9478 4.9478 4.9595 4.9595 6.1941 6.1941 6.2160 6.2160 6.4864 6.4864 6.5174 6.5174 11.5983 11.5983 11.6120 11.6120 17.0876 17.0876 17.1317 17.1317 k = 0.1026 0.1776 0.3127 ( 1750 PWs) bands (ev): -10.3479 -10.3479 -10.3460 -10.3460 1.2617 1.2617 1.2861 1.2861 1.6331 1.6331 1.7037 1.7037 1.7798 1.7798 1.8291 1.8291 2.8369 2.8369 2.8840 2.8840 2.9375 2.9375 2.9620 2.9620 4.9651 4.9651 4.9768 4.9768 6.2321 6.2321 6.2539 6.2539 6.5221 6.5221 6.5512 6.5512 11.5316 11.5316 11.5450 11.5450 17.1223 17.1223 17.1651 17.1651 k = 0.0974 0.1688 0.3127 ( 1754 PWs) bands (ev): -10.3587 -10.3587 -10.3569 -10.3569 1.2689 1.2689 1.2921 1.2921 1.6268 1.6268 1.6921 1.6921 1.7719 1.7719 1.8170 1.8170 2.8377 2.8377 2.8836 2.8836 2.9374 2.9374 2.9590 2.9590 4.9802 4.9802 4.9917 4.9917 6.2719 6.2719 6.2935 6.2935 6.5562 6.5562 6.5836 6.5836 11.4660 11.4660 11.4791 11.4791 17.1542 17.1542 17.1955 17.1955 k = 0.0923 0.1599 0.3127 ( 1754 PWs) bands (ev): -10.3691 -10.3691 -10.3674 -10.3674 1.2763 1.2763 1.2984 1.2984 1.6207 1.6207 1.6805 1.6805 1.7646 1.7646 1.8053 1.8053 2.8387 2.8387 2.8834 2.8834 2.9375 2.9375 2.9563 2.9563 4.9931 4.9931 5.0044 5.0044 6.3133 6.3133 6.3344 6.3344 6.5888 6.5888 6.6145 6.6145 11.4017 11.4017 11.4145 11.4145 17.1832 17.1832 17.2228 17.2228 k = 0.0872 0.1510 0.3127 ( 1758 PWs) bands (ev): -10.3792 -10.3792 -10.3776 -10.3776 1.2838 1.2838 1.3048 1.3048 1.6148 1.6148 1.6687 1.6687 1.7578 1.7578 1.7941 1.7941 2.8398 2.8398 2.8831 2.8831 2.9375 2.9375 2.9537 2.9537 5.0040 5.0040 5.0151 5.0151 6.3558 6.3558 6.3765 6.3765 6.6197 6.6197 6.6437 6.6437 11.3389 11.3389 11.3513 11.3513 17.2093 17.2093 17.2469 17.2469 k = 0.0821 0.1421 0.3127 ( 1766 PWs) bands (ev): -10.3889 -10.3889 -10.3873 -10.3873 1.2914 1.2914 1.3112 1.3112 1.6089 1.6089 1.6570 1.6570 1.7514 1.7514 1.7833 1.7833 2.8409 2.8409 2.8829 2.8829 2.9376 2.9376 2.9514 2.9514 5.0131 5.0131 5.0239 5.0239 6.3991 6.3991 6.4192 6.4192 6.6490 6.6490 6.6713 6.6713 11.2776 11.2776 11.2897 11.2897 17.2326 17.2326 17.2680 17.2680 k = 0.0769 0.1332 0.3127 ( 1766 PWs) bands (ev): -10.3980 -10.3980 -10.3966 -10.3966 1.2990 1.2990 1.3177 1.3177 1.6033 1.6033 1.6456 1.6456 1.7455 1.7455 1.7731 1.7731 2.8422 2.8422 2.8826 2.8826 2.9377 2.9377 2.9493 2.9493 5.0207 5.0207 5.0311 5.0311 6.4429 6.4429 6.4622 6.4622 6.6765 6.6765 6.6972 6.6972 11.2183 11.2183 11.2299 11.2299 17.2530 17.2530 17.2863 17.2863 k = 0.0718 0.1244 0.3127 ( 1766 PWs) bands (ev): -10.4068 -10.4068 -10.4054 -10.4054 1.3067 1.3067 1.3242 1.3242 1.5978 1.5978 1.6345 1.6345 1.7399 1.7399 1.7636 1.7636 2.8436 2.8436 2.8823 2.8823 2.9378 2.9378 2.9475 2.9475 5.0269 5.0269 5.0368 5.0368 6.4867 6.4867 6.5052 6.5052 6.7024 6.7024 6.7215 6.7215 11.1609 11.1609 11.1721 11.1721 17.2708 17.2708 17.3018 17.3018 k = 0.0667 0.1155 0.3127 ( 1766 PWs) bands (ev): -10.4150 -10.4150 -10.4137 -10.4137 1.3142 1.3142 1.3306 1.3306 1.5924 1.5924 1.6238 1.6238 1.7348 1.7348 1.7546 1.7546 2.8451 2.8451 2.8820 2.8820 2.9380 2.9380 2.9458 2.9458 5.0319 5.0319 5.0413 5.0413 6.5300 6.5300 6.5475 6.5475 6.7266 6.7266 6.7440 6.7440 11.1058 11.1058 11.1165 11.1165 17.2862 17.2862 17.3148 17.3148 k = 0.0615 0.1066 0.3127 ( 1766 PWs) bands (ev): -10.4227 -10.4227 -10.4215 -10.4215 1.3216 1.3216 1.3369 1.3369 1.5873 1.5873 1.6135 1.6135 1.7299 1.7299 1.7462 1.7462 2.8466 2.8466 2.8815 2.8815 2.9381 2.9381 2.9444 2.9444 5.0359 5.0359 5.0447 5.0447 6.5725 6.5725 6.5889 6.5889 6.7491 6.7491 6.7649 6.7649 11.0532 11.0532 11.0634 11.0634 17.2993 17.2993 17.3256 17.3256 k = 0.0564 0.0977 0.3127 ( 1766 PWs) bands (ev): -10.4299 -10.4299 -10.4287 -10.4287 1.3287 1.3287 1.3430 1.3430 1.5823 1.5823 1.6037 1.6037 1.7254 1.7254 1.7385 1.7385 2.8482 2.8482 2.8810 2.8810 2.9383 2.9383 2.9432 2.9432 5.0390 5.0390 5.0472 5.0472 6.6137 6.6137 6.6289 6.6289 6.7699 6.7699 6.7841 6.7841 11.0034 11.0034 11.0130 11.0130 17.3105 17.3105 17.3344 17.3344 k = 0.0513 0.0888 0.3127 ( 1762 PWs) bands (ev): -10.4365 -10.4365 -10.4354 -10.4354 1.3356 1.3356 1.3488 1.3488 1.5776 1.5776 1.5946 1.5946 1.7212 1.7212 1.7316 1.7316 2.8499 2.8499 2.8804 2.8804 2.9385 2.9385 2.9422 2.9422 5.0414 5.0414 5.0490 5.0490 6.6531 6.6531 6.6670 6.6670 6.7891 6.7891 6.8017 6.8017 10.9567 10.9567 10.9656 10.9656 17.3198 17.3198 17.3414 17.3414 k = 0.0462 0.0799 0.3127 ( 1762 PWs) bands (ev): -10.4425 -10.4425 -10.4415 -10.4415 1.3421 1.3421 1.3543 1.3543 1.5730 1.5730 1.5862 1.5862 1.7172 1.7172 1.7252 1.7252 2.8516 2.8516 2.8797 2.8797 2.9386 2.9386 2.9413 2.9413 5.0433 5.0433 5.0501 5.0501 6.6902 6.6902 6.7027 6.7027 6.8067 6.8067 6.8177 6.8177 10.9133 10.9133 10.9215 10.9215 17.3276 17.3276 17.3469 17.3469 k = 0.0410 0.0711 0.3127 ( 1770 PWs) bands (ev): -10.4479 -10.4479 -10.4471 -10.4471 1.3483 1.3483 1.3594 1.3594 1.5687 1.5687 1.5784 1.5784 1.7136 1.7136 1.7196 1.7196 2.8533 2.8533 2.8787 2.8787 2.9386 2.9386 2.9405 2.9405 5.0446 5.0446 5.0508 5.0508 6.7247 6.7247 6.7356 6.7356 6.8228 6.8228 6.8321 6.8321 10.8734 10.8734 10.8809 10.8809 17.3341 17.3341 17.3511 17.3511 k = 0.0359 0.0622 0.3127 ( 1766 PWs) bands (ev): -10.4527 -10.4527 -10.4520 -10.4520 1.3540 1.3540 1.3641 1.3641 1.5647 1.5647 1.5716 1.5716 1.7103 1.7103 1.7147 1.7147 2.8551 2.8551 2.8777 2.8777 2.9387 2.9387 2.9400 2.9400 5.0457 5.0457 5.0511 5.0511 6.7560 6.7560 6.7651 6.7651 6.8375 6.8375 6.8451 6.8451 10.8376 10.8376 10.8442 10.8442 17.3394 17.3394 17.3542 17.3542 k = 0.0308 0.0533 0.3127 ( 1762 PWs) bands (ev): -10.4569 -10.4569 -10.4563 -10.4563 1.3593 1.3593 1.3683 1.3683 1.5610 1.5610 1.5656 1.5656 1.7075 1.7075 1.7106 1.7106 2.8570 2.8570 2.8766 2.8766 2.9388 2.9388 2.9396 2.9396 5.0464 5.0464 5.0511 5.0511 6.7837 6.7837 6.7908 6.7908 6.8510 6.8510 6.8567 6.8567 10.8058 10.8058 10.8117 10.8117 17.3438 17.3438 17.3564 17.3564 k = 0.0256 0.0444 0.3127 ( 1770 PWs) bands (ev): -10.4605 -10.4605 -10.4600 -10.4600 1.3640 1.3640 1.3717 1.3717 1.5576 1.5576 1.5604 1.5604 1.7049 1.7049 1.7070 1.7070 2.8587 2.8587 2.8753 2.8753 2.9387 2.9387 2.9392 2.9392 5.0470 5.0470 5.0509 5.0509 6.8072 6.8072 6.8123 6.8123 6.8632 6.8632 6.8670 6.8670 10.7786 10.7786 10.7835 10.7835 17.3474 17.3474 17.3578 17.3578 k = 0.0205 0.0355 0.3127 ( 1774 PWs) bands (ev): -10.4634 -10.4634 -10.4630 -10.4630 1.3681 1.3681 1.3745 1.3745 1.5547 1.5547 1.5562 1.5562 1.7027 1.7027 1.7042 1.7042 2.8604 2.8604 2.8738 2.8738 2.9387 2.9387 2.9389 2.9389 5.0474 5.0474 5.0506 5.0506 6.8262 6.8262 6.8292 6.8292 6.8742 6.8742 6.8764 6.8764 10.7560 10.7560 10.7600 10.7600 17.3503 17.3503 17.3586 17.3586 k = 0.0154 0.0266 0.3127 ( 1770 PWs) bands (ev): -10.4657 -10.4657 -10.4653 -10.4653 1.3716 1.3716 1.3766 1.3766 1.5523 1.5523 1.5530 1.5530 1.7010 1.7010 1.7020 1.7020 2.8623 2.8623 2.8724 2.8724 2.9387 2.9387 2.9388 2.9388 5.0478 5.0478 5.0502 5.0502 6.8403 6.8403 6.8418 6.8418 6.8836 6.8836 6.8846 6.8846 10.7383 10.7383 10.7413 10.7413 17.3527 17.3527 17.3589 17.3589 k = 0.0103 0.0178 0.3127 ( 1766 PWs) bands (ev): -10.4673 -10.4673 -10.4671 -10.4671 1.3744 1.3744 1.3778 1.3778 1.5505 1.5505 1.5507 1.5507 1.6999 1.6999 1.7005 1.7005 2.8641 2.8641 2.8709 2.8709 2.9388 2.9388 2.9388 2.9388 5.0482 5.0482 5.0498 5.0498 6.8498 6.8498 6.8503 6.8503 6.8908 6.8908 6.8915 6.8915 10.7257 10.7257 10.7277 10.7277 17.3546 17.3546 17.3587 17.3587 k = 0.0051 0.0089 0.3127 ( 1762 PWs) bands (ev): -10.4682 -10.4682 -10.4681 -10.4681 1.3765 1.3765 1.3782 1.3782 1.5494 1.5494 1.5495 1.5495 1.6993 1.6993 1.6996 1.6996 2.8659 2.8659 2.8693 2.8693 2.9388 2.9388 2.9388 2.9388 5.0486 5.0486 5.0494 5.0494 6.8551 6.8551 6.8552 6.8552 6.8955 6.8955 6.8959 6.8959 10.7183 10.7183 10.7193 10.7193 17.3562 17.3562 17.3582 17.3582 k = 0.0000 0.0000 0.3127 ( 1762 PWs) bands (ev): -10.4685 -10.4685 -10.4685 -10.4685 1.3777 1.3777 1.3777 1.3777 1.5490 1.5490 1.5490 1.5490 1.6991 1.6991 1.6991 1.6991 2.8676 2.8676 2.8676 2.8676 2.9388 2.9388 2.9388 2.9388 5.0490 5.0490 5.0490 5.0490 6.8568 6.8568 6.8568 6.8568 6.8973 6.8973 6.8973 6.8973 10.7161 10.7161 10.7161 10.7161 17.3574 17.3574 17.3574 17.3574 k = 0.5000 0.2887 0.3127 ( 1760 PWs) bands (ev): -10.0198 -10.0198 -10.0198 -10.0198 1.1513 1.1513 1.1513 1.1513 2.0189 2.0189 2.0189 2.0189 2.1605 2.1605 2.1605 2.1605 2.8903 2.8903 2.8903 2.8903 3.1176 3.1176 3.1176 3.1176 3.5424 3.5424 3.5424 3.5424 5.7335 5.7335 5.7335 5.7335 5.9328 5.9328 5.9328 5.9328 12.9898 12.9898 12.9898 12.9898 15.6770 15.6770 15.6770 15.6770 k = 0.5000 0.2887 0.3026 ( 1760 PWs) bands (ev): -10.0255 -10.0255 -10.0141 -10.0141 1.1497 1.1497 1.1542 1.1542 2.0097 2.0097 2.0278 2.0278 2.1590 2.1590 2.1628 2.1628 2.8878 2.8878 2.8929 2.8929 3.1121 3.1121 3.1229 3.1229 3.5386 3.5386 3.5465 3.5465 5.6987 5.6987 5.7678 5.7678 5.8903 5.8903 5.9723 5.9723 12.9478 12.9478 13.0345 13.0345 15.6576 15.6576 15.6954 15.6954 k = 0.5000 0.2887 0.2925 ( 1756 PWs) bands (ev): -10.0313 -10.0313 -10.0085 -10.0085 1.1495 1.1495 1.1584 1.1584 2.0003 2.0003 2.0364 2.0364 2.1584 2.1584 2.1660 2.1660 2.8853 2.8853 2.8955 2.8955 3.1063 3.1063 3.1280 3.1280 3.5352 3.5352 3.5508 3.5508 5.6636 5.6636 5.8003 5.8003 5.8465 5.8465 6.0087 6.0087 12.9088 12.9088 13.0817 13.0817 15.6371 15.6371 15.7127 15.7127 k = 0.5000 0.2887 0.2824 ( 1756 PWs) bands (ev): -10.0370 -10.0370 -10.0029 -10.0029 1.1505 1.1505 1.1640 1.1640 1.9908 1.9908 2.0445 2.0445 2.1586 2.1586 2.1701 2.1701 2.8827 2.8827 2.8981 2.8981 3.1004 3.1004 3.1328 3.1328 3.5321 3.5321 3.5555 3.5555 5.6284 5.6284 5.7922 5.7922 5.8402 5.8402 6.0417 6.0417 12.8731 12.8731 13.1309 13.1309 15.6156 15.6156 15.7288 15.7288 k = 0.5000 0.2887 0.2723 ( 1756 PWs) bands (ev): -10.0428 -10.0428 -9.9975 -9.9975 1.1526 1.1526 1.1709 1.1709 1.9812 1.9812 2.0521 2.0521 2.1597 2.1597 2.1749 2.1749 2.8801 2.8801 2.9007 2.9007 3.0942 3.0942 3.1373 3.1373 3.5294 3.5294 3.5603 3.5603 5.5931 5.5931 5.7432 5.7432 5.8719 5.8719 6.0711 6.0711 12.8411 12.8411 13.1818 13.1818 15.5932 15.5932 15.7437 15.7437 k = 0.5000 0.2887 0.2622 ( 1756 PWs) bands (ev): -10.0486 -10.0486 -9.9921 -9.9921 1.1559 1.1559 1.1791 1.1791 1.9716 1.9716 2.0590 2.0590 2.1616 2.1616 2.1805 2.1805 2.8775 2.8775 2.9033 2.9033 3.0879 3.0879 3.1415 3.1415 3.5271 3.5271 3.5654 3.5654 5.5577 5.5577 5.6906 5.6906 5.9044 5.9044 6.0970 6.0970 12.8128 12.8128 13.2341 13.2341 15.5698 15.5698 15.7572 15.7572 k = 0.5000 0.2887 0.2521 ( 1758 PWs) bands (ev): -10.0543 -10.0543 -9.9869 -9.9869 1.1603 1.1603 1.1887 1.1887 1.9622 1.9622 2.0653 2.0653 2.1643 2.1643 2.1868 2.1868 2.8749 2.8749 2.9058 2.9058 3.0814 3.0814 3.1455 3.1455 3.5251 3.5251 3.5707 3.5707 5.5223 5.5223 5.6359 5.6359 5.9366 5.9366 6.1193 6.1193 12.7885 12.7885 13.2872 13.2872 15.5455 15.5455 15.7693 15.7693 k = 0.5000 0.2887 0.2421 ( 1748 PWs) bands (ev): -10.0600 -10.0600 -9.9818 -9.9818 1.1657 1.1657 1.1996 1.1996 1.9529 1.9529 2.0711 2.0711 2.1679 2.1679 2.1939 2.1939 2.8723 2.8723 2.9085 2.9085 3.0750 3.0750 3.1492 3.1492 3.5238 3.5238 3.5763 3.5763 5.4867 5.4867 5.5799 5.5799 5.9681 5.9681 6.1380 6.1380 12.7683 12.7683 13.3409 13.3409 15.5204 15.5204 15.7799 15.7799 k = 0.5000 0.2887 0.2320 ( 1748 PWs) bands (ev): -10.0656 -10.0656 -9.9768 -9.9768 1.1720 1.1720 1.2116 1.2116 1.9437 1.9437 2.0764 2.0764 2.1721 2.1721 2.2016 2.2016 2.8696 2.8696 2.9110 2.9110 3.0683 3.0683 3.1527 3.1527 3.5228 3.5228 3.5819 3.5819 5.4505 5.4505 5.5232 5.5232 5.9989 5.9989 6.1532 6.1532 12.7523 12.7523 13.3948 13.3948 15.4943 15.4943 15.7889 15.7889 k = 0.5000 0.2887 0.2219 ( 1750 PWs) bands (ev): -10.0711 -10.0711 -9.9720 -9.9720 1.1790 1.1790 1.2248 1.2248 1.9348 1.9348 2.0813 2.0813 2.1768 2.1768 2.2097 2.2097 2.8669 2.8669 2.9135 2.9135 3.0616 3.0616 3.1558 3.1558 3.5223 3.5223 3.5877 3.5877 5.4126 5.4126 5.4675 5.4675 6.0287 6.0287 6.1650 6.1650 12.7405 12.7405 13.4486 13.4486 15.4673 15.4673 15.7963 15.7963 k = 0.5000 0.2887 0.2118 ( 1750 PWs) bands (ev): -10.0766 -10.0766 -9.9674 -9.9674 1.1868 1.1868 1.2391 1.2391 1.9262 1.9262 2.0860 2.0860 2.1821 2.1821 2.2183 2.2183 2.8641 2.8641 2.9160 2.9160 3.0549 3.0549 3.1586 3.1586 3.5223 3.5223 3.5936 3.5936 5.3697 5.3697 5.4163 5.4163 6.0574 6.0574 6.1736 6.1736 12.7328 12.7328 13.5018 13.5018 15.4395 15.4395 15.8019 15.8019 k = 0.5000 0.2887 0.2017 ( 1750 PWs) bands (ev): -10.0819 -10.0819 -9.9629 -9.9629 1.1952 1.1952 1.2543 1.2543 1.9179 1.9179 2.0905 2.0905 2.1877 2.1877 2.2272 2.2272 2.8612 2.8612 2.9183 2.9183 3.0483 3.0483 3.1611 3.1611 3.5228 3.5228 3.5997 3.5997 5.3186 5.3186 5.3732 5.3732 6.0846 6.0846 6.1794 6.1794 12.7294 12.7294 13.5541 13.5541 15.4109 15.4109 15.8058 15.8058 k = 0.5000 0.2887 0.1916 ( 1742 PWs) bands (ev): -10.0871 -10.0871 -9.9586 -9.9586 1.2041 1.2041 1.2705 1.2705 1.9099 1.9099 2.0950 2.0950 2.1937 2.1937 2.2363 2.2363 2.8583 2.8583 2.9206 2.9206 3.0418 3.0418 3.1634 3.1634 3.5240 3.5240 3.6058 3.6058 5.2615 5.2615 5.3367 5.3367 6.1099 6.1099 6.1832 6.1832 12.7299 12.7299 13.6053 13.6053 15.3815 15.3815 15.8080 15.8080 k = 0.5000 0.2887 0.1815 ( 1738 PWs) bands (ev): -10.0921 -10.0921 -9.9544 -9.9544 1.2134 1.2134 1.2873 1.2873 1.9022 1.9022 2.0996 2.0996 2.1999 2.1999 2.2455 2.2455 2.8554 2.8554 2.9227 2.9227 3.0355 3.0355 3.1653 3.1653 3.5257 3.5257 3.6120 3.6120 5.2016 5.2016 5.3035 5.3035 6.1315 6.1315 6.1866 6.1866 12.7343 12.7343 13.6550 13.6550 15.3513 15.3513 15.8085 15.8085 k = 0.5000 0.2887 0.1715 ( 1746 PWs) bands (ev): -10.0970 -10.0970 -9.9505 -9.9505 1.2230 1.2230 1.3048 1.3048 1.8949 1.8949 2.1042 2.1042 2.2063 2.2063 2.2545 2.2545 2.8521 2.8521 2.9246 2.9246 3.0294 3.0294 3.1669 3.1669 3.5279 3.5279 3.6181 3.6181 5.1409 5.1409 5.2723 5.2723 6.1458 6.1458 6.1936 6.1936 12.7423 12.7423 13.7030 13.7030 15.3205 15.3205 15.8074 15.8074 k = 0.5000 0.2887 0.1614 ( 1750 PWs) bands (ev): -10.1016 -10.1016 -9.9468 -9.9468 1.2327 1.2327 1.3227 1.3227 1.8879 1.8879 2.1090 2.1090 2.2128 2.2128 2.2634 2.2634 2.8488 2.8488 2.9261 2.9261 3.0237 3.0237 3.1682 3.1682 3.5308 3.5308 3.6243 3.6243 5.0802 5.0802 5.2426 5.2426 6.1496 6.1496 6.2077 6.2077 12.7536 12.7536 13.7491 13.7491 15.2891 15.2891 15.8048 15.8048 k = 0.5000 0.2887 0.1513 ( 1754 PWs) bands (ev): -10.1061 -10.1061 -9.9432 -9.9432 1.2425 1.2425 1.3409 1.3409 1.8813 1.8813 2.1141 2.1141 2.2193 2.2193 2.2721 2.2721 2.8454 2.8454 2.9273 2.9273 3.0184 3.0184 3.1693 3.1693 3.5342 3.5342 3.6304 3.6304 5.0201 5.0201 5.2143 5.2143 6.1456 6.1456 6.2263 6.2263 12.7680 12.7680 13.7930 13.7930 15.2573 15.2573 15.8009 15.8009 k = 0.5000 0.2887 0.1412 ( 1754 PWs) bands (ev): -10.1104 -10.1104 -9.9399 -9.9399 1.2523 1.2523 1.3592 1.3592 1.8751 1.8751 2.1195 2.1195 2.2258 2.2258 2.2805 2.2805 2.8419 2.8419 2.9282 2.9282 3.0138 3.0138 3.1702 3.1702 3.5382 3.5382 3.6365 3.6365 4.9611 4.9611 5.1874 5.1874 6.1376 6.1376 6.2459 6.2459 12.7852 12.7852 13.8345 13.8345 15.2253 15.2253 15.7959 15.7959 k = 0.5000 0.2887 0.1311 ( 1756 PWs) bands (ev): -10.1144 -10.1144 -9.9368 -9.9368 1.2619 1.2619 1.3774 1.3774 1.8693 1.8693 2.1251 2.1251 2.2322 2.2322 2.2885 2.2885 2.8383 2.8383 2.9286 2.9286 3.0098 3.0098 3.1707 3.1707 3.5429 3.5429 3.6423 3.6423 4.9034 4.9034 5.1620 5.1620 6.1272 6.1272 6.2653 6.2653 12.8046 12.8046 13.8736 13.8736 15.1932 15.1932 15.7899 15.7899 k = 0.5000 0.2887 0.1210 ( 1760 PWs) bands (ev): -10.1182 -10.1182 -9.9339 -9.9339 1.2712 1.2712 1.3954 1.3954 1.8639 1.8639 2.1311 2.1311 2.2384 2.2384 2.2960 2.2960 2.8346 2.8346 2.9285 2.9285 3.0066 3.0066 3.1710 3.1710 3.5480 3.5480 3.6481 3.6481 4.8476 4.8476 5.1380 5.1380 6.1153 6.1153 6.2838 6.2838 12.8258 12.8258 13.9100 13.9100 15.1613 15.1613 15.7832 15.7832 k = 0.5000 0.2887 0.1109 ( 1760 PWs) bands (ev): -10.1218 -10.1218 -9.9312 -9.9312 1.2802 1.2802 1.4129 1.4129 1.8590 1.8590 2.1373 2.1373 2.2444 2.2444 2.3030 2.3030 2.8308 2.8308 2.9279 2.9279 3.0042 3.0042 3.1712 3.1712 3.5536 3.5536 3.6536 3.6537 4.7939 4.7939 5.1155 5.1155 6.1025 6.1025 6.3012 6.3012 12.8484 12.8484 13.9437 13.9437 15.1298 15.1298 15.7760 15.7760 k = 0.5000 0.2887 0.1009 ( 1756 PWs) bands (ev): -10.1251 -10.1251 -9.9288 -9.9288 1.2887 1.2887 1.4297 1.4297 1.8546 1.8546 2.1439 2.1439 2.2501 2.2501 2.3094 2.3094 2.8269 2.8269 2.9268 2.9268 3.0026 3.0026 3.1712 3.1712 3.5596 3.5596 3.6590 3.6590 4.7428 4.7428 5.0947 5.0947 6.0892 6.0892 6.3173 6.3173 12.8719 12.8719 13.9746 13.9746 15.0990 15.0990 15.7686 15.7686 k = 0.5000 0.2887 0.0908 ( 1758 PWs) bands (ev): -10.1281 -10.1281 -9.9266 -9.9266 1.2967 1.2967 1.4456 1.4456 1.8504 1.8504 2.1505 2.1505 2.2555 2.2555 2.3152 2.3152 2.8230 2.8230 2.9254 2.9254 3.0016 3.0016 3.1709 3.1709 3.5660 3.5660 3.6640 3.6640 4.6947 4.6947 5.0755 5.0755 6.0759 6.0759 6.3320 6.3320 12.8957 12.8957 14.0027 14.0027 15.0692 15.0692 15.7611 15.7611 k = 0.5000 0.2887 0.0807 ( 1758 PWs) bands (ev): -10.1308 -10.1308 -9.9246 -9.9246 1.3041 1.3041 1.4604 1.4604 1.8468 1.8468 2.1573 2.1573 2.2603 2.2603 2.3203 2.3203 2.8192 2.8192 2.9237 2.9237 3.0012 3.0012 3.1706 3.1706 3.5725 3.5725 3.6685 3.6685 4.6501 4.6501 5.0582 5.0582 6.0629 6.0629 6.3454 6.3454 12.9192 12.9192 14.0278 14.0278 15.0409 15.0409 15.7538 15.7538 k = 0.5000 0.2887 0.0706 ( 1766 PWs) bands (ev): -10.1332 -10.1332 -9.9228 -9.9228 1.3107 1.3107 1.4739 1.4739 1.8435 1.8435 2.1640 2.1640 2.2645 2.2645 2.3247 2.3247 2.8154 2.8154 2.9218 2.9218 3.0011 3.0011 3.1702 3.1702 3.5791 3.5791 3.6726 3.6726 4.6092 4.6092 5.0426 5.0426 6.0505 6.0505 6.3572 6.3572 12.9418 12.9418 14.0500 14.0500 15.0145 15.0145 15.7469 15.7469 k = 0.5000 0.2887 0.0605 ( 1766 PWs) bands (ev): -10.1353 -10.1353 -9.9213 -9.9213 1.3166 1.3166 1.4860 1.4860 1.8407 1.8407 2.1705 2.1705 2.2682 2.2682 2.3285 2.3285 2.8119 2.8119 2.9201 2.9201 3.0014 3.0014 3.1697 3.1697 3.5855 3.5855 3.6763 3.6763 4.5725 4.5725 5.0290 5.0290 6.0391 6.0391 6.3676 6.3676 12.9630 12.9630 14.0692 14.0692 14.9903 14.9903 15.7406 15.7406 k = 0.5000 0.2887 0.0504 ( 1758 PWs) bands (ev): -10.1371 -10.1371 -9.9200 -9.9200 1.3217 1.3217 1.4966 1.4966 1.8385 1.8385 2.1765 2.1765 2.2713 2.2713 2.3317 2.3317 2.8087 2.8087 2.9185 2.9185 3.0020 3.0020 3.1693 3.1693 3.5916 3.5916 3.6794 3.6794 4.5406 4.5406 5.0175 5.0175 6.0289 6.0289 6.3764 6.3764 12.9822 12.9822 14.0855 14.0855 14.9689 14.9689 15.7350 15.7350 k = 0.5000 0.2887 0.0403 ( 1758 PWs) bands (ev): -10.1386 -10.1386 -9.9189 -9.9189 1.3259 1.3259 1.5053 1.5053 1.8366 1.8366 2.1819 2.1819 2.2738 2.2738 2.3342 2.3342 2.8059 2.8059 2.9170 2.9170 3.0026 3.0026 3.1689 3.1689 3.5970 3.5970 3.6820 3.6820 4.5137 4.5137 5.0079 5.0079 6.0203 6.0203 6.3836 6.3836 12.9987 12.9987 14.0989 14.0989 14.9507 14.9507 15.7302 15.7302 k = 0.5000 0.2887 0.0303 ( 1750 PWs) bands (ev): -10.1397 -10.1397 -9.9181 -9.9181 1.3293 1.3293 1.5123 1.5123 1.8351 1.8351 2.1866 2.1866 2.2758 2.2758 2.3361 2.3361 2.8038 2.8038 2.9158 2.9158 3.0032 3.0032 3.1685 3.1685 3.6016 3.6016 3.6841 3.6841 4.4923 4.4923 5.0004 5.0004 6.0134 6.0134 6.3893 6.3893 13.0122 13.0122 14.1092 14.1092 14.9361 14.9361 15.7264 15.7264 k = 0.5000 0.2887 0.0202 ( 1754 PWs) bands (ev): -10.1406 -10.1406 -9.9175 -9.9175 1.3317 1.3317 1.5173 1.5173 1.8341 1.8341 2.1900 2.1900 2.2770 2.2770 2.3375 2.3375 2.8019 2.8019 2.9149 2.9149 3.0036 3.0036 3.1682 3.1682 3.6051 3.6051 3.6855 3.6855 4.4768 4.4768 4.9950 4.9950 6.0083 6.0083 6.3933 6.3933 13.0221 13.0221 14.1166 14.1166 14.9253 14.9253 15.7236 15.7236 k = 0.5000 0.2887 0.0101 ( 1750 PWs) bands (ev): -10.1411 -10.1411 -9.9171 -9.9171 1.3332 1.3332 1.5203 1.5203 1.8335 1.8335 2.1922 2.1922 2.2777 2.2777 2.3383 2.3383 2.8009 2.8009 2.9144 2.9144 3.0039 3.0039 3.1681 3.1681 3.6073 3.6073 3.6864 3.6864 4.4673 4.4673 4.9917 4.9917 6.0052 6.0052 6.3958 6.3958 13.0283 13.0283 14.1210 14.1210 14.9188 14.9188 15.7219 15.7219 k = 0.5000 0.2887-0.0000 ( 1750 PWs) bands (ev): -10.1412 -10.1412 -9.9170 -9.9170 1.3337 1.3337 1.5213 1.5213 1.8333 1.8333 2.1929 2.1929 2.2780 2.2780 2.3385 2.3385 2.8005 2.8005 2.9142 2.9142 3.0040 3.0040 3.1680 3.1680 3.6080 3.6080 3.6867 3.6867 4.4642 4.4642 4.9906 4.9906 6.0042 6.0042 6.3966 6.3966 13.0303 13.0303 14.1225 14.1225 14.9166 14.9166 15.7213 15.7213 k = 0.3333 0.5774-0.0000 ( 1767 PWs) bands (ev): -9.9823 -9.9758 -9.9739 -9.9739 1.5304 1.5304 1.8359 1.9306 1.9306 2.0018 2.2644 2.2644 2.4707 2.5256 2.5256 2.6610 2.6610 2.6750 2.8153 2.8220 2.8220 2.9179 2.9179 2.9306 3.5050 3.5050 3.7303 3.7460 3.7460 3.8332 5.3252 5.3552 5.3552 5.4264 5.5023 5.5023 14.9212 14.9213 14.9408 14.9408 15.0371 15.0371 15.4039 15.4039 k = 0.3333 0.5774 0.0101 ( 1761 PWs) bands (ev): -9.9823 -9.9758 -9.9739 -9.9739 1.5307 1.5307 1.8352 1.9297 1.9297 2.0006 2.2632 2.2632 2.4689 2.5248 2.5248 2.6591 2.6591 2.6718 2.8178 2.8252 2.8252 2.9180 2.9180 2.9340 3.5065 3.5065 3.7299 3.7458 3.7458 3.8327 5.3272 5.3569 5.3569 5.4282 5.5012 5.5012 14.9216 14.9217 14.9411 14.9411 15.0376 15.0376 15.4038 15.4038 k = 0.3333 0.5774 0.0202 ( 1755 PWs) bands (ev): -9.9822 -9.9757 -9.9738 -9.9738 1.5314 1.5314 1.8330 1.9269 1.9269 1.9970 2.2597 2.2597 2.4637 2.5225 2.5225 2.6540 2.6540 2.6625 2.8253 2.8339 2.8339 2.9185 2.9185 2.9436 3.5111 3.5111 3.7286 3.7452 3.7452 3.8313 5.3329 5.3619 5.3619 5.4335 5.4980 5.4980 14.9227 14.9228 14.9423 14.9423 15.0392 15.0392 15.4036 15.4036 k = 0.3333 0.5774 0.0303 ( 1755 PWs) bands (ev): -9.9820 -9.9756 -9.9737 -9.9737 1.5325 1.5325 1.8294 1.9222 1.9222 1.9909 2.2538 2.2538 2.4555 2.5184 2.5184 2.6471 2.6471 2.6485 2.8371 2.8467 2.8467 2.9192 2.9192 2.9580 3.5186 3.5186 3.7265 3.7441 3.7441 3.8290 5.3424 5.3700 5.3700 5.4423 5.4928 5.4928 14.9245 14.9246 14.9441 14.9441 15.0417 15.0417 15.4032 15.4032 k = 0.3333 0.5774 0.0403 ( 1755 PWs) bands (ev): -9.9818 -9.9754 -9.9735 -9.9735 1.5340 1.5340 1.8243 1.9157 1.9157 1.9824 2.2458 2.2458 2.4453 2.5125 2.5125 2.6312 2.6399 2.6399 2.8524 2.8620 2.8620 2.9206 2.9206 2.9760 3.5290 3.5290 3.7236 3.7428 3.7428 3.8257 5.3555 5.3807 5.3807 5.4544 5.4859 5.4859 14.9270 14.9272 14.9467 14.9467 15.0452 15.0452 15.4026 15.4026 k = 0.3333 0.5774 0.0504 ( 1761 PWs) bands (ev): -9.9815 -9.9752 -9.9732 -9.9732 1.5359 1.5359 1.8177 1.9074 1.9074 1.9715 2.2358 2.2358 2.4337 2.5047 2.5047 2.6118 2.6334 2.6334 2.8704 2.8778 2.8778 2.9234 2.9234 2.9962 3.5418 3.5418 3.7199 3.7414 3.7414 3.8216 5.3721 5.3930 5.3930 5.4696 5.4784 5.4784 14.9302 14.9305 14.9500 14.9500 15.0497 15.0497 15.4019 15.4019 k = 0.3333 0.5774 0.0605 ( 1761 PWs) bands (ev): -9.9812 -9.9750 -9.9729 -9.9729 1.5382 1.5382 1.8099 1.8974 1.8974 1.9584 2.2242 2.2242 2.4217 2.4953 2.4953 2.5913 2.6282 2.6282 2.8904 2.8919 2.8919 2.9291 2.9291 3.0179 3.5570 3.5570 3.7156 3.7400 3.7400 3.8167 5.3919 5.4043 5.4043 5.4726 5.4726 5.4879 14.9342 14.9346 14.9542 14.9542 15.0550 15.0550 15.4011 15.4011 k = 0.3333 0.5774 0.0706 ( 1761 PWs) bands (ev): -9.9808 -9.9747 -9.9726 -9.9726 1.5409 1.5409 1.8007 1.8857 1.8857 1.9432 2.2111 2.2111 2.4096 2.4847 2.4847 2.5704 2.6243 2.6243 2.9013 2.9013 2.9117 2.9400 2.9400 3.0403 3.5740 3.5740 3.7106 3.7392 3.7392 3.8112 5.4088 5.4088 5.4148 5.4742 5.4742 5.5090 14.9389 14.9396 14.9591 14.9591 15.0612 15.0612 15.4001 15.4001 k = 0.3333 0.5774 0.0807 ( 1755 PWs) bands (ev): -9.9803 -9.9743 -9.9722 -9.9722 1.5441 1.5441 1.7903 1.8727 1.8727 1.9262 2.1968 2.1968 2.3980 2.4734 2.4734 2.5497 2.6216 2.6216 2.9061 2.9061 2.9340 2.9559 2.9559 3.0631 3.5922 3.5922 3.7051 3.7395 3.7395 3.8049 5.4021 5.4021 5.4405 5.4873 5.4873 5.5326 14.9444 14.9453 14.9649 14.9649 15.0682 15.0682 15.3989 15.3989 k = 0.3333 0.5774 0.0908 ( 1749 PWs) bands (ev): -9.9798 -9.9740 -9.9718 -9.9718 1.5476 1.5476 1.7788 1.8583 1.8583 1.9075 2.1815 2.1815 2.3870 2.4616 2.4616 2.5294 2.6200 2.6200 2.9084 2.9084 2.9568 2.9741 2.9741 3.0858 3.6104 3.6104 3.6991 3.7419 3.7419 3.7982 5.3871 5.3871 5.4687 5.5089 5.5089 5.5584 14.9508 14.9519 14.9715 14.9715 15.0760 15.0760 15.3975 15.3975 k = 0.3333 0.5774 0.1009 ( 1752 PWs) bands (ev): -9.9793 -9.9736 -9.9713 -9.9713 1.5514 1.5514 1.7662 1.8427 1.8427 1.8872 2.1652 2.1652 2.3768 2.4498 2.4498 2.5098 2.6191 2.6191 2.9096 2.9096 2.9799 2.9931 2.9931 3.1081 3.6271 3.6271 3.6926 3.7476 3.7476 3.7908 5.3673 5.3673 5.4990 5.5351 5.5351 5.5861 14.9580 14.9594 14.9789 14.9789 15.0844 15.0844 15.3960 15.3960 k = 0.3333 0.5774 0.1109 ( 1749 PWs) bands (ev): -9.9787 -9.9732 -9.9708 -9.9708 1.5555 1.5555 1.7527 1.8263 1.8263 1.8659 2.1483 2.1483 2.3674 2.4383 2.4383 2.4910 2.6187 2.6187 2.9103 2.9103 3.0029 3.0122 3.0122 3.1301 3.6404 3.6404 3.6858 3.7587 3.7587 3.7830 5.3443 5.3443 5.5312 5.5643 5.5643 5.6156 14.9660 14.9678 14.9873 14.9873 15.0935 15.0935 15.3942 15.3942 k = 0.3333 0.5774 0.1210 ( 1743 PWs) bands (ev): -9.9781 -9.9727 -9.9703 -9.9703 1.5599 1.5599 1.7384 1.8093 1.8093 1.8436 2.1308 2.1308 2.3590 2.4273 2.4273 2.4733 2.6189 2.6189 2.9107 2.9107 3.0258 3.0310 3.0310 3.1516 3.6492 3.6492 3.6787 3.7749 3.7761 3.7761 5.3186 5.3186 5.5649 5.5954 5.5954 5.6463 14.9750 14.9771 14.9967 14.9967 15.1030 15.1030 15.3923 15.3923 k = 0.3333 0.5774 0.1311 ( 1743 PWs) bands (ev): -9.9774 -9.9723 -9.9697 -9.9697 1.5644 1.5644 1.7235 1.7919 1.7919 1.8208 2.1130 2.1130 2.3514 2.4168 2.4168 2.4566 2.6193 2.6193 2.9109 2.9109 3.0484 3.0493 3.0493 3.1723 3.6536 3.6536 3.6714 3.7664 3.7997 3.7997 5.2908 5.2908 5.5998 5.6280 5.6280 5.6780 14.9849 14.9873 15.0069 15.0069 15.1130 15.1130 15.3901 15.3901 k = 0.3333 0.5774 0.1412 ( 1743 PWs) bands (ev): -9.9768 -9.9718 -9.9692 -9.9692 1.5690 1.5690 1.7082 1.7745 1.7745 1.7977 2.0948 2.0948 2.3446 2.4070 2.4070 2.4410 2.6198 2.6198 2.9109 2.9109 3.0670 3.0670 3.0705 3.1922 3.6546 3.6546 3.6639 3.7576 3.8282 3.8282 5.2609 5.2609 5.6355 5.6615 5.6615 5.7104 14.9957 14.9985 15.0182 15.0182 15.1234 15.1234 15.3877 15.3877 k = 0.3333 0.5774 0.1513 ( 1743 PWs) bands (ev): -9.9761 -9.9714 -9.9686 -9.9686 1.5735 1.5735 1.6926 1.7574 1.7574 1.7746 2.0763 2.0763 2.3385 2.3979 2.3979 2.4265 2.6205 2.6205 2.9108 2.9108 3.0839 3.0839 3.0921 3.2113 3.6535 3.6535 3.6564 3.7486 3.8603 3.8603 5.2292 5.2292 5.6717 5.6955 5.6955 5.7430 15.0076 15.0107 15.0304 15.0304 15.1341 15.1341 15.3851 15.3851 k = 0.3333 0.5774 0.1614 ( 1743 PWs) bands (ev): -9.9754 -9.9709 -9.9681 -9.9681 1.5777 1.5777 1.6769 1.7412 1.7412 1.7516 2.0578 2.0578 2.3332 2.3895 2.3895 2.4131 2.6212 2.6212 2.9107 2.9107 3.1001 3.1001 3.1132 3.2295 3.6489 3.6510 3.6510 3.7394 3.8953 3.8953 5.1957 5.1957 5.7080 5.7296 5.7296 5.7756 15.0204 15.0239 15.0437 15.0437 15.1451 15.1451 15.3822 15.3822 k = 0.3333 0.5774 0.1715 ( 1743 PWs) bands (ev): -9.9748 -9.9705 -9.9675 -9.9675 1.5812 1.5812 1.6614 1.7264 1.7264 1.7291 2.0392 2.0392 2.3285 2.3819 2.3819 2.4008 2.6220 2.6220 2.9105 2.9105 3.1155 3.1155 3.1336 3.2468 3.6415 3.6478 3.6478 3.7300 3.9325 3.9325 5.1606 5.1606 5.7441 5.7635 5.7635 5.8079 15.0342 15.0381 15.0580 15.0580 15.1562 15.1562 15.3791 15.3791 k = 0.3333 0.5774 0.1815 ( 1743 PWs) bands (ev): -9.9741 -9.9701 -9.9670 -9.9670 1.5835 1.5835 1.6461 1.7073 1.7136 1.7136 2.0207 2.0207 2.3244 2.3749 2.3749 2.3895 2.6229 2.6229 2.9103 2.9103 3.1299 3.1299 3.1535 3.2630 3.6342 3.6440 3.6440 3.7206 3.9714 3.9714 5.1240 5.1240 5.7796 5.7968 5.7968 5.8394 15.0491 15.0534 15.0733 15.0733 15.1675 15.1675 15.3757 15.3757 k = 0.3333 0.5774 0.1916 ( 1752 PWs) bands (ev): -9.9734 -9.9697 -9.9664 -9.9664 1.5842 1.5842 1.6313 1.6863 1.7035 1.7035 2.0021 2.0021 2.3209 2.3686 2.3686 2.3791 2.6236 2.6236 2.9100 2.9100 3.1435 3.1435 3.1725 3.2781 3.6272 3.6400 3.6400 3.7110 4.0117 4.0117 5.0860 5.0860 5.8142 5.8292 5.8292 5.8699 15.0649 15.0695 15.0895 15.0895 15.1788 15.1788 15.3720 15.3720 k = 0.3333 0.5774 0.2017 ( 1749 PWs) bands (ev): -9.9727 -9.9693 -9.9659 -9.9659 1.5828 1.5828 1.6172 1.6663 1.6968 1.6968 1.9838 1.9838 2.3179 2.3630 2.3630 2.3698 2.6244 2.6244 2.9097 2.9097 3.1561 3.1561 3.1910 3.2920 3.6206 3.6360 3.6360 3.7015 4.0534 4.0534 5.0467 5.0467 5.8476 5.8603 5.8603 5.8991 15.0816 15.0866 15.1067 15.1067 15.1901 15.1901 15.3681 15.3681 k = 0.3333 0.5774 0.2118 ( 1764 PWs) bands (ev): -9.9721 -9.9690 -9.9654 -9.9654 1.5790 1.5790 1.6038 1.6473 1.6937 1.6937 1.9658 1.9658 2.3151 2.3577 2.3577 2.3610 2.6251 2.6251 2.9094 2.9094 3.1677 3.1677 3.2086 3.3046 3.6143 3.6319 3.6319 3.6919 4.0960 4.0960 5.0062 5.0062 5.8794 5.8898 5.8898 5.9266 15.0991 15.1044 15.1246 15.1246 15.2013 15.2013 15.3638 15.3638 k = 0.3333 0.5774 0.2219 ( 1752 PWs) bands (ev): -9.9715 -9.9686 -9.9650 -9.9650 1.5733 1.5733 1.5916 1.6298 1.6943 1.6943 1.9481 1.9481 2.3132 2.3534 2.3534 2.3535 2.6259 2.6259 2.9092 2.9092 3.1784 3.1784 3.2256 3.3158 3.6090 3.6281 3.6281 3.6825 4.1397 4.1397 4.9647 4.9647 5.9095 5.9176 5.9176 5.9523 15.1174 15.1229 15.1432 15.1432 15.2125 15.2125 15.3593 15.3593 k = 0.3333 0.5774 0.2320 ( 1752 PWs) bands (ev): -9.9709 -9.9684 -9.9645 -9.9645 1.5663 1.5663 1.5804 1.6137 1.6977 1.6977 1.9308 1.9308 2.3115 2.3465 2.3494 2.3494 2.6265 2.6265 2.9090 2.9090 3.1880 3.1880 3.2417 3.3255 3.6043 3.6245 3.6245 3.6731 4.1840 4.1840 4.9223 4.9223 5.9375 5.9432 5.9432 5.9757 15.1361 15.1418 15.1621 15.1621 15.2236 15.2236 15.3545 15.3545 k = 0.3333 0.5774 0.2421 ( 1752 PWs) bands (ev): -9.9704 -9.9681 -9.9641 -9.9641 1.5587 1.5587 1.5704 1.5989 1.7033 1.7033 1.9141 1.9141 2.3103 2.3403 2.3460 2.3460 2.6271 2.6271 2.9087 2.9087 3.1966 3.1966 3.2570 3.3334 3.6006 3.6211 3.6211 3.6639 4.2290 4.2290 4.8790 4.8790 5.9631 5.9664 5.9664 5.9967 15.1550 15.1607 15.1809 15.1809 15.2346 15.2346 15.3494 15.3494 k = 0.3333 0.5774 0.2521 ( 1752 PWs) bands (ev): -9.9699 -9.9679 -9.9638 -9.9638 1.5512 1.5512 1.5617 1.5858 1.7104 1.7104 1.8979 1.8979 2.3095 2.3348 2.3431 2.3431 2.6277 2.6277 2.9085 2.9085 3.2041 3.2041 3.2714 3.3395 3.5980 3.6181 3.6181 3.6549 4.2745 4.2745 4.8350 4.8350 5.9861 5.9870 5.9870 6.0151 15.1737 15.1792 15.1992 15.1992 15.2455 15.2455 15.3440 15.3440 k = 0.3333 0.5774 0.2622 ( 1740 PWs) bands (ev): -9.9694 -9.9678 -9.9635 -9.9635 1.5444 1.5444 1.5546 1.5744 1.7185 1.7185 1.8826 1.8826 2.3092 2.3299 2.3407 2.3407 2.6283 2.6283 2.9085 2.9085 3.2106 3.2106 3.2849 3.3438 3.5968 3.6155 3.6155 3.6462 4.3204 4.3204 4.7904 4.7904 6.0048 6.0048 6.0063 6.0306 15.1916 15.1968 15.2163 15.2163 15.2564 15.2564 15.3384 15.3384 k = 0.3333 0.5774 0.2723 ( 1740 PWs) bands (ev): -9.9690 -9.9677 -9.9632 -9.9632 1.5384 1.5384 1.5489 1.5645 1.7272 1.7272 1.8683 1.8683 2.3093 2.3256 2.3388 2.3388 2.6287 2.6287 2.9083 2.9083 3.2159 3.2159 3.2973 3.3459 3.5968 3.6133 3.6133 3.6378 4.3664 4.3664 4.7454 4.7454 6.0196 6.0196 6.0236 6.0430 15.2081 15.2127 15.2315 15.2315 15.2671 15.2672 15.3327 15.3327 k = 0.3333 0.5774 0.2824 ( 1740 PWs) bands (ev): -9.9686 -9.9677 -9.9630 -9.9630 1.5335 1.5335 1.5448 1.5564 1.7357 1.7357 1.8555 1.8555 2.3097 2.3218 2.3373 2.3373 2.6289 2.6289 2.9082 2.9082 3.2200 3.2200 3.3086 3.3460 3.5981 3.6115 3.6115 3.6298 4.4123 4.4123 4.7002 4.7002 6.0313 6.0313 6.0377 6.0523 15.2224 15.2262 15.2441 15.2441 15.2775 15.2775 15.3268 15.3268 k = 0.3333 0.5774 0.2925 ( 1746 PWs) bands (ev): -9.9683 -9.9677 -9.9629 -9.9629 1.5299 1.5299 1.5424 1.5501 1.7432 1.7432 1.8448 1.8448 2.3105 2.3185 2.3361 2.3361 2.6291 2.6291 2.9081 2.9081 3.2229 3.2229 3.3187 3.3441 3.6006 3.6101 3.6101 3.6222 4.4576 4.4576 4.6554 4.6554 6.0397 6.0397 6.0486 6.0583 15.2337 15.2364 15.2536 15.2536 15.2867 15.2867 15.3211 15.3211 k = 0.3333 0.5774 0.3026 ( 1740 PWs) bands (ev): -9.9681 -9.9678 -9.9628 -9.9628 1.5277 1.5277 1.5417 1.5456 1.7489 1.7489 1.8375 1.8375 2.3119 2.3159 2.3355 2.3355 2.6293 2.6293 2.9080 2.9080 3.2247 3.2247 3.3275 3.3403 3.6046 3.6094 3.6094 3.6155 4.5003 4.5003 4.6131 4.6131 6.0448 6.0448 6.0561 6.0610 15.2412 15.2426 15.2597 15.2597 15.2940 15.2940 15.3161 15.3161 k = 0.3333 0.5774 0.3127 ( 1746 PWs) bands (ev): -9.9679 -9.9679 -9.9628 -9.9628 1.5270 1.5270 1.5427 1.5427 1.7509 1.7509 1.8348 1.8348 2.3136 2.3136 2.3352 2.3352 2.6293 2.6293 2.9080 2.9080 3.2253 3.2253 3.3346 3.3346 3.6091 3.6091 3.6095 3.6095 4.5256 4.5256 4.5880 4.5880 6.0465 6.0465 6.0603 6.0603 15.2442 15.2442 15.2617 15.2617 15.2971 15.2971 15.3137 15.3137 Writing output data file ZnO.save init_run : 1.91s CPU 13.22s WALL ( 1 calls) electrons : 345.59s CPU 351.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.22s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 345.58s CPU 351.00s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.96s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.60s WALL ( 1 calls) newd : 0.18s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 410 calls) cegterg : 297.66s CPU 300.21s WALL ( 746 calls) Called by sum_band: Called by *egterg: h_psi : 112.74s CPU 118.65s WALL ( 11777 calls) s_psi : 12.73s CPU 13.54s WALL ( 11777 calls) g_psi : 0.18s CPU 0.28s WALL ( 10621 calls) cdiaghg : 130.07s CPU 128.18s WALL ( 11031 calls) cegterg:over : 28.54s CPU 25.65s WALL ( 10621 calls) cegterg:upda : 2.30s CPU 4.40s WALL ( 10621 calls) cegterg:last : 2.94s CPU 3.64s WALL ( 1976 calls) Called by h_psi: h_psi:vloc : 85.61s CPU 91.01s WALL ( 11777 calls) h_psi:vnl : 27.02s CPU 27.25s WALL ( 11777 calls) add_vuspsi : 6.71s CPU 9.74s WALL ( 11777 calls) General routines calbec : 20.28s CPU 17.37s WALL ( 11777 calls) fft : 0.14s CPU 1.23s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 81.29s CPU 86.08s WALL ( 1030824 calls) interpolate : 0.00s CPU 0.04s WALL ( 4 calls) davcio : 0.02s CPU 1.19s WALL ( 820 calls) Parallel routines fft_scatter : 57.98s CPU 61.22s WALL ( 1030847 calls) PWSCF : 6m28.96s CPU 7m55.74s WALL This run was terminated on: 4: 5: 6 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=