Program PWSCF v.5.1.1 starts on 27Jun2015 at 15:32:57 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: ./PtO2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 9 2 1475 417 62 Max 22 10 3 1488 438 79 Sum 1027 439 139 71043 20343 3441 bravais-lattice index = 14 lattice parameter (alat) = 5.8582 a.u. unit-cell volume = 467.2764 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.858151 celldm(2)= 1.000000 celldm(3)= 2.683871 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 2.683871 ) 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 0.372596 ) 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 Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pt 10.00 195.08400 Pt( 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 ) ( 1.3419355 ) 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 ) ( 1.3419355 ) 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 ) ( 1.3419355 ) 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 ) ( 1.3419355 ) 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 ) ( 1.3419355 ) 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 ) ( 1.3419355 ) 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= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0084746 0.0048928 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0169491 0.0097856 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0254237 0.0146784 -0.0000000), wk = 0.0025773 k( 5) = ( 0.0338983 0.0195712 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0423729 0.0244640 -0.0000000), wk = 0.0025773 k( 7) = ( 0.0508475 0.0293568 -0.0000000), wk = 0.0025773 k( 8) = ( 0.0593220 0.0342496 -0.0000000), wk = 0.0025773 k( 9) = ( 0.0677966 0.0391424 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0762712 0.0440352 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0847458 0.0489280 -0.0000000), wk = 0.0025773 k( 12) = ( 0.0932203 0.0538208 -0.0000000), wk = 0.0025773 k( 13) = ( 0.1016949 0.0587136 -0.0000000), wk = 0.0025773 k( 14) = ( 0.1101695 0.0636064 -0.0000000), wk = 0.0025773 k( 15) = ( 0.1186441 0.0684992 -0.0000000), wk = 0.0025773 k( 16) = ( 0.1271186 0.0733920 -0.0000000), wk = 0.0025773 k( 17) = ( 0.1355932 0.0782848 -0.0000000), wk = 0.0025773 k( 18) = ( 0.1440678 0.0831776 -0.0000000), wk = 0.0025773 k( 19) = ( 0.1525424 0.0880704 -0.0000000), wk = 0.0025773 k( 20) = ( 0.1610169 0.0929632 -0.0000000), wk = 0.0025773 k( 21) = ( 0.1694915 0.0978560 -0.0000000), wk = 0.0025773 k( 22) = ( 0.1779661 0.1027488 -0.0000000), wk = 0.0025773 k( 23) = ( 0.1864407 0.1076416 -0.0000000), wk = 0.0025773 k( 24) = ( 0.1949153 0.1125344 -0.0000000), wk = 0.0025773 k( 25) = ( 0.2033898 0.1174272 -0.0000000), wk = 0.0025773 k( 26) = ( 0.2118644 0.1223200 -0.0000000), wk = 0.0025773 k( 27) = ( 0.2203390 0.1272128 -0.0000000), wk = 0.0025773 k( 28) = ( 0.2288136 0.1321056 -0.0000000), wk = 0.0025773 k( 29) = ( 0.2372881 0.1369984 -0.0000000), wk = 0.0025773 k( 30) = ( 0.2457627 0.1418912 -0.0000000), wk = 0.0025773 k( 31) = ( 0.2542373 0.1467840 -0.0000000), wk = 0.0025773 k( 32) = ( 0.2627119 0.1516768 -0.0000000), wk = 0.0025773 k( 33) = ( 0.2711864 0.1565696 -0.0000000), wk = 0.0025773 k( 34) = ( 0.2796610 0.1614624 -0.0000000), wk = 0.0025773 k( 35) = ( 0.2881356 0.1663552 -0.0000000), wk = 0.0025773 k( 36) = ( 0.2966102 0.1712480 -0.0000000), wk = 0.0025773 k( 37) = ( 0.3050848 0.1761408 -0.0000000), wk = 0.0025773 k( 38) = ( 0.3135593 0.1810336 -0.0000000), wk = 0.0025773 k( 39) = ( 0.3220339 0.1859264 -0.0000000), wk = 0.0025773 k( 40) = ( 0.3305085 0.1908192 -0.0000000), wk = 0.0025773 k( 41) = ( 0.3389831 0.1957120 -0.0000000), wk = 0.0025773 k( 42) = ( 0.3474576 0.2006048 -0.0000000), wk = 0.0025773 k( 43) = ( 0.3559322 0.2054976 -0.0000000), wk = 0.0025773 k( 44) = ( 0.3644068 0.2103904 -0.0000000), wk = 0.0025773 k( 45) = ( 0.3728814 0.2152832 -0.0000000), wk = 0.0025773 k( 46) = ( 0.3813559 0.2201759 -0.0000000), wk = 0.0025773 k( 47) = ( 0.3898305 0.2250687 -0.0000000), wk = 0.0025773 k( 48) = ( 0.3983051 0.2299615 -0.0000000), wk = 0.0025773 k( 49) = ( 0.4067797 0.2348543 -0.0000000), wk = 0.0025773 k( 50) = ( 0.4152542 0.2397471 -0.0000000), wk = 0.0025773 k( 51) = ( 0.4237288 0.2446399 -0.0000000), wk = 0.0025773 k( 52) = ( 0.4322034 0.2495327 -0.0000000), wk = 0.0025773 k( 53) = ( 0.4406780 0.2544255 -0.0000000), wk = 0.0025773 k( 54) = ( 0.4491525 0.2593183 -0.0000000), wk = 0.0025773 k( 55) = ( 0.4576271 0.2642111 -0.0000000), wk = 0.0025773 k( 56) = ( 0.4661017 0.2691039 -0.0000000), wk = 0.0025773 k( 57) = ( 0.4745763 0.2739967 -0.0000000), wk = 0.0025773 k( 58) = ( 0.4830508 0.2788895 -0.0000000), wk = 0.0025773 k( 59) = ( 0.4915254 0.2837823 -0.0000000), wk = 0.0025773 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025773 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025773 k( 62) = ( 0.4950980 0.2971656 -0.0000000), wk = 0.0025773 k( 63) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0025773 k( 64) = ( 0.4852941 0.3141465 -0.0000000), wk = 0.0025773 k( 65) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0025773 k( 66) = ( 0.4754902 0.3311274 -0.0000000), wk = 0.0025773 k( 67) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0025773 k( 68) = ( 0.4656863 0.3481082 -0.0000000), wk = 0.0025773 k( 69) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0025773 k( 70) = ( 0.4558823 0.3650891 -0.0000000), wk = 0.0025773 k( 71) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0025773 k( 72) = ( 0.4460784 0.3820700 -0.0000000), wk = 0.0025773 k( 73) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0025773 k( 74) = ( 0.4362745 0.3990509 -0.0000000), wk = 0.0025773 k( 75) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0025773 k( 76) = ( 0.4264706 0.4160318 -0.0000000), wk = 0.0025773 k( 77) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0025773 k( 78) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0025773 k( 79) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0025773 k( 80) = ( 0.4068627 0.4499936 -0.0000000), wk = 0.0025773 k( 81) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0025773 k( 82) = ( 0.3970588 0.4669745 -0.0000000), wk = 0.0025773 k( 83) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0025773 k( 84) = ( 0.3872549 0.4839554 -0.0000000), wk = 0.0025773 k( 85) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0025773 k( 86) = ( 0.3774510 0.5009363 -0.0000000), wk = 0.0025773 k( 87) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0025773 k( 88) = ( 0.3676471 0.5179172 -0.0000000), wk = 0.0025773 k( 89) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0025773 k( 90) = ( 0.3578431 0.5348981 -0.0000000), wk = 0.0025773 k( 91) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0025773 k( 92) = ( 0.3480392 0.5518789 -0.0000000), wk = 0.0025773 k( 93) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0025773 k( 94) = ( 0.3382353 0.5688598 -0.0000000), wk = 0.0025773 k( 95) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025773 k( 96) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025773 k( 97) = ( 0.3284314 0.5688598 -0.0000000), wk = 0.0025773 k( 98) = ( 0.3235294 0.5603694 -0.0000000), wk = 0.0025773 k( 99) = ( 0.3186274 0.5518789 -0.0000000), wk = 0.0025773 k( 100) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0025773 k( 101) = ( 0.3088235 0.5348980 -0.0000000), wk = 0.0025773 k( 102) = ( 0.3039216 0.5264076 -0.0000000), wk = 0.0025773 k( 103) = ( 0.2990196 0.5179172 -0.0000000), wk = 0.0025773 k( 104) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0025773 k( 105) = ( 0.2892157 0.5009363 -0.0000000), wk = 0.0025773 k( 106) = ( 0.2843137 0.4924458 -0.0000000), wk = 0.0025773 k( 107) = ( 0.2794118 0.4839554 -0.0000000), wk = 0.0025773 k( 108) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0025773 k( 109) = ( 0.2696078 0.4669745 -0.0000000), wk = 0.0025773 k( 110) = ( 0.2647059 0.4584840 -0.0000000), wk = 0.0025773 k( 111) = ( 0.2598039 0.4499936 -0.0000000), wk = 0.0025773 k( 112) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0025773 k( 113) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0025773 k( 114) = ( 0.2450980 0.4245223 -0.0000000), wk = 0.0025773 k( 115) = ( 0.2401961 0.4160318 -0.0000000), wk = 0.0025773 k( 116) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0025773 k( 117) = ( 0.2303922 0.3990509 -0.0000000), wk = 0.0025773 k( 118) = ( 0.2254902 0.3905605 -0.0000000), wk = 0.0025773 k( 119) = ( 0.2205882 0.3820700 -0.0000000), wk = 0.0025773 k( 120) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0025773 k( 121) = ( 0.2107843 0.3650891 -0.0000000), wk = 0.0025773 k( 122) = ( 0.2058823 0.3565987 -0.0000000), wk = 0.0025773 k( 123) = ( 0.2009804 0.3481082 -0.0000000), wk = 0.0025773 k( 124) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0025773 k( 125) = ( 0.1911765 0.3311274 -0.0000000), wk = 0.0025773 k( 126) = ( 0.1862745 0.3226369 -0.0000000), wk = 0.0025773 k( 127) = ( 0.1813725 0.3141465 -0.0000000), wk = 0.0025773 k( 128) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0025773 k( 129) = ( 0.1715686 0.2971656 -0.0000000), wk = 0.0025773 k( 130) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0025773 k( 131) = ( 0.1617647 0.2801847 -0.0000000), wk = 0.0025773 k( 132) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0025773 k( 133) = ( 0.1519608 0.2632038 -0.0000000), wk = 0.0025773 k( 134) = ( 0.1470588 0.2547133 -0.0000000), wk = 0.0025773 k( 135) = ( 0.1421569 0.2462229 -0.0000000), wk = 0.0025773 k( 136) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0025773 k( 137) = ( 0.1323529 0.2292420 -0.0000000), wk = 0.0025773 k( 138) = ( 0.1274510 0.2207516 -0.0000000), wk = 0.0025773 k( 139) = ( 0.1225490 0.2122611 -0.0000000), wk = 0.0025773 k( 140) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0025773 k( 141) = ( 0.1127451 0.1952802 -0.0000000), wk = 0.0025773 k( 142) = ( 0.1078431 0.1867898 -0.0000000), wk = 0.0025773 k( 143) = ( 0.1029412 0.1782994 -0.0000000), wk = 0.0025773 k( 144) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0025773 k( 145) = ( 0.0931373 0.1613184 -0.0000000), wk = 0.0025773 k( 146) = ( 0.0882353 0.1528280 -0.0000000), wk = 0.0025773 k( 147) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0025773 k( 148) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0025773 k( 149) = ( 0.0735294 0.1273567 -0.0000000), wk = 0.0025773 k( 150) = ( 0.0686275 0.1188662 -0.0000000), wk = 0.0025773 k( 151) = ( 0.0637255 0.1103758 -0.0000000), wk = 0.0025773 k( 152) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0025773 k( 153) = ( 0.0539216 0.0933949 -0.0000000), wk = 0.0025773 k( 154) = ( 0.0490196 0.0849045 -0.0000000), wk = 0.0025773 k( 155) = ( 0.0441177 0.0764140 -0.0000000), wk = 0.0025773 k( 156) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0025773 k( 157) = ( 0.0343137 0.0594331 -0.0000000), wk = 0.0025773 k( 158) = ( 0.0294118 0.0509427 -0.0000000), wk = 0.0025773 k( 159) = ( 0.0245098 0.0424522 -0.0000000), wk = 0.0025773 k( 160) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0025773 k( 161) = ( 0.0147059 0.0254713 -0.0000000), wk = 0.0025773 k( 162) = ( 0.0098039 0.0169809 -0.0000000), wk = 0.0025773 k( 163) = ( 0.0049020 0.0084904 -0.0000000), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.0098052), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.0196103), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.0294155), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.0392206), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.0490258), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.0588310), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.0686361), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.0784413), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.0882465), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.0980516), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.1078568), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.1176619), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.1274671), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.1372723), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.1470774), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.1568826), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.1666878), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.1764929), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.1862981), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.1862981), wk = 0.0025773 k( 186) = ( 0.0084746 0.0048928 0.1862981), wk = 0.0025773 k( 187) = ( 0.0169491 0.0097856 0.1862981), wk = 0.0025773 k( 188) = ( 0.0254237 0.0146784 0.1862981), wk = 0.0025773 k( 189) = ( 0.0338983 0.0195712 0.1862981), wk = 0.0025773 k( 190) = ( 0.0423729 0.0244640 0.1862981), wk = 0.0025773 k( 191) = ( 0.0508475 0.0293568 0.1862981), wk = 0.0025773 k( 192) = ( 0.0593220 0.0342496 0.1862981), wk = 0.0025773 k( 193) = ( 0.0677966 0.0391424 0.1862981), wk = 0.0025773 k( 194) = ( 0.0762712 0.0440352 0.1862981), wk = 0.0025773 k( 195) = ( 0.0847458 0.0489280 0.1862981), wk = 0.0025773 k( 196) = ( 0.0932203 0.0538208 0.1862981), wk = 0.0025773 k( 197) = ( 0.1016949 0.0587136 0.1862981), wk = 0.0025773 k( 198) = ( 0.1101695 0.0636064 0.1862981), wk = 0.0025773 k( 199) = ( 0.1186441 0.0684992 0.1862981), wk = 0.0025773 k( 200) = ( 0.1271186 0.0733920 0.1862981), wk = 0.0025773 k( 201) = ( 0.1355932 0.0782848 0.1862981), wk = 0.0025773 k( 202) = ( 0.1440678 0.0831776 0.1862981), wk = 0.0025773 k( 203) = ( 0.1525424 0.0880704 0.1862981), wk = 0.0025773 k( 204) = ( 0.1610169 0.0929632 0.1862981), wk = 0.0025773 k( 205) = ( 0.1694915 0.0978560 0.1862981), wk = 0.0025773 k( 206) = ( 0.1779661 0.1027488 0.1862981), wk = 0.0025773 k( 207) = ( 0.1864407 0.1076416 0.1862981), wk = 0.0025773 k( 208) = ( 0.1949153 0.1125344 0.1862981), wk = 0.0025773 k( 209) = ( 0.2033898 0.1174272 0.1862981), wk = 0.0025773 k( 210) = ( 0.2118644 0.1223200 0.1862981), wk = 0.0025773 k( 211) = ( 0.2203390 0.1272128 0.1862981), wk = 0.0025773 k( 212) = ( 0.2288136 0.1321056 0.1862981), wk = 0.0025773 k( 213) = ( 0.2372881 0.1369984 0.1862981), wk = 0.0025773 k( 214) = ( 0.2457627 0.1418912 0.1862981), wk = 0.0025773 k( 215) = ( 0.2542373 0.1467840 0.1862981), wk = 0.0025773 k( 216) = ( 0.2627119 0.1516768 0.1862981), wk = 0.0025773 k( 217) = ( 0.2711864 0.1565696 0.1862981), wk = 0.0025773 k( 218) = ( 0.2796610 0.1614624 0.1862981), wk = 0.0025773 k( 219) = ( 0.2881356 0.1663552 0.1862981), wk = 0.0025773 k( 220) = ( 0.2966102 0.1712480 0.1862981), wk = 0.0025773 k( 221) = ( 0.3050848 0.1761408 0.1862981), wk = 0.0025773 k( 222) = ( 0.3135593 0.1810336 0.1862981), wk = 0.0025773 k( 223) = ( 0.3220339 0.1859264 0.1862981), wk = 0.0025773 k( 224) = ( 0.3305085 0.1908192 0.1862981), wk = 0.0025773 k( 225) = ( 0.3389831 0.1957120 0.1862981), wk = 0.0025773 k( 226) = ( 0.3474576 0.2006048 0.1862981), wk = 0.0025773 k( 227) = ( 0.3559322 0.2054976 0.1862981), wk = 0.0025773 k( 228) = ( 0.3644068 0.2103904 0.1862981), wk = 0.0025773 k( 229) = ( 0.3728814 0.2152832 0.1862981), wk = 0.0025773 k( 230) = ( 0.3813559 0.2201759 0.1862981), wk = 0.0025773 k( 231) = ( 0.3898305 0.2250687 0.1862981), wk = 0.0025773 k( 232) = ( 0.3983051 0.2299615 0.1862981), wk = 0.0025773 k( 233) = ( 0.4067797 0.2348543 0.1862981), wk = 0.0025773 k( 234) = ( 0.4152542 0.2397471 0.1862981), wk = 0.0025773 k( 235) = ( 0.4237288 0.2446399 0.1862981), wk = 0.0025773 k( 236) = ( 0.4322034 0.2495327 0.1862981), wk = 0.0025773 k( 237) = ( 0.4406780 0.2544255 0.1862981), wk = 0.0025773 k( 238) = ( 0.4491525 0.2593183 0.1862981), wk = 0.0025773 k( 239) = ( 0.4576271 0.2642111 0.1862981), wk = 0.0025773 k( 240) = ( 0.4661017 0.2691039 0.1862981), wk = 0.0025773 k( 241) = ( 0.4745763 0.2739967 0.1862981), wk = 0.0025773 k( 242) = ( 0.4830508 0.2788895 0.1862981), wk = 0.0025773 k( 243) = ( 0.4915254 0.2837823 0.1862981), wk = 0.0025773 k( 244) = ( 0.5000000 0.2886751 0.1862981), wk = 0.0025773 k( 245) = ( 0.5000000 0.2886751 0.1862981), wk = 0.0025773 k( 246) = ( 0.4950980 0.2971656 0.1862981), wk = 0.0025773 k( 247) = ( 0.4901961 0.3056560 0.1862981), wk = 0.0025773 k( 248) = ( 0.4852941 0.3141465 0.1862981), wk = 0.0025773 k( 249) = ( 0.4803922 0.3226369 0.1862981), wk = 0.0025773 k( 250) = ( 0.4754902 0.3311274 0.1862981), wk = 0.0025773 k( 251) = ( 0.4705882 0.3396178 0.1862981), wk = 0.0025773 k( 252) = ( 0.4656863 0.3481082 0.1862981), wk = 0.0025773 k( 253) = ( 0.4607843 0.3565987 0.1862981), wk = 0.0025773 k( 254) = ( 0.4558823 0.3650891 0.1862981), wk = 0.0025773 k( 255) = ( 0.4509804 0.3735796 0.1862981), wk = 0.0025773 k( 256) = ( 0.4460784 0.3820700 0.1862981), wk = 0.0025773 k( 257) = ( 0.4411765 0.3905605 0.1862981), wk = 0.0025773 k( 258) = ( 0.4362745 0.3990509 0.1862981), wk = 0.0025773 k( 259) = ( 0.4313726 0.4075414 0.1862981), wk = 0.0025773 k( 260) = ( 0.4264706 0.4160318 0.1862981), wk = 0.0025773 k( 261) = ( 0.4215686 0.4245223 0.1862981), wk = 0.0025773 k( 262) = ( 0.4166667 0.4330127 0.1862981), wk = 0.0025773 k( 263) = ( 0.4117647 0.4415032 0.1862981), wk = 0.0025773 k( 264) = ( 0.4068627 0.4499936 0.1862981), wk = 0.0025773 k( 265) = ( 0.4019608 0.4584840 0.1862981), wk = 0.0025773 k( 266) = ( 0.3970588 0.4669745 0.1862981), wk = 0.0025773 k( 267) = ( 0.3921569 0.4754649 0.1862981), wk = 0.0025773 k( 268) = ( 0.3872549 0.4839554 0.1862981), wk = 0.0025773 k( 269) = ( 0.3823529 0.4924458 0.1862981), wk = 0.0025773 k( 270) = ( 0.3774510 0.5009363 0.1862981), wk = 0.0025773 k( 271) = ( 0.3725490 0.5094267 0.1862981), wk = 0.0025773 k( 272) = ( 0.3676471 0.5179172 0.1862981), wk = 0.0025773 k( 273) = ( 0.3627451 0.5264076 0.1862981), wk = 0.0025773 k( 274) = ( 0.3578431 0.5348981 0.1862981), wk = 0.0025773 k( 275) = ( 0.3529412 0.5433885 0.1862981), wk = 0.0025773 k( 276) = ( 0.3480392 0.5518789 0.1862981), wk = 0.0025773 k( 277) = ( 0.3431373 0.5603694 0.1862981), wk = 0.0025773 k( 278) = ( 0.3382353 0.5688598 0.1862981), wk = 0.0025773 k( 279) = ( 0.3333333 0.5773503 0.1862981), wk = 0.0025773 k( 280) = ( 0.3333333 0.5773503 0.1862981), wk = 0.0025773 k( 281) = ( 0.3284314 0.5688598 0.1862981), wk = 0.0025773 k( 282) = ( 0.3235294 0.5603694 0.1862981), wk = 0.0025773 k( 283) = ( 0.3186274 0.5518789 0.1862981), wk = 0.0025773 k( 284) = ( 0.3137255 0.5433885 0.1862981), wk = 0.0025773 k( 285) = ( 0.3088235 0.5348980 0.1862981), wk = 0.0025773 k( 286) = ( 0.3039216 0.5264076 0.1862981), wk = 0.0025773 k( 287) = ( 0.2990196 0.5179172 0.1862981), wk = 0.0025773 k( 288) = ( 0.2941177 0.5094267 0.1862981), wk = 0.0025773 k( 289) = ( 0.2892157 0.5009363 0.1862981), wk = 0.0025773 k( 290) = ( 0.2843137 0.4924458 0.1862981), wk = 0.0025773 k( 291) = ( 0.2794118 0.4839554 0.1862981), wk = 0.0025773 k( 292) = ( 0.2745098 0.4754649 0.1862981), wk = 0.0025773 k( 293) = ( 0.2696078 0.4669745 0.1862981), wk = 0.0025773 k( 294) = ( 0.2647059 0.4584840 0.1862981), wk = 0.0025773 k( 295) = ( 0.2598039 0.4499936 0.1862981), wk = 0.0025773 k( 296) = ( 0.2549020 0.4415031 0.1862981), wk = 0.0025773 k( 297) = ( 0.2500000 0.4330127 0.1862981), wk = 0.0025773 k( 298) = ( 0.2450980 0.4245223 0.1862981), wk = 0.0025773 k( 299) = ( 0.2401961 0.4160318 0.1862981), wk = 0.0025773 k( 300) = ( 0.2352941 0.4075414 0.1862981), wk = 0.0025773 k( 301) = ( 0.2303922 0.3990509 0.1862981), wk = 0.0025773 k( 302) = ( 0.2254902 0.3905605 0.1862981), wk = 0.0025773 k( 303) = ( 0.2205882 0.3820700 0.1862981), wk = 0.0025773 k( 304) = ( 0.2156863 0.3735796 0.1862981), wk = 0.0025773 k( 305) = ( 0.2107843 0.3650891 0.1862981), wk = 0.0025773 k( 306) = ( 0.2058823 0.3565987 0.1862981), wk = 0.0025773 k( 307) = ( 0.2009804 0.3481082 0.1862981), wk = 0.0025773 k( 308) = ( 0.1960784 0.3396178 0.1862981), wk = 0.0025773 k( 309) = ( 0.1911765 0.3311274 0.1862981), wk = 0.0025773 k( 310) = ( 0.1862745 0.3226369 0.1862981), wk = 0.0025773 k( 311) = ( 0.1813725 0.3141465 0.1862981), wk = 0.0025773 k( 312) = ( 0.1764706 0.3056560 0.1862981), wk = 0.0025773 k( 313) = ( 0.1715686 0.2971656 0.1862981), wk = 0.0025773 k( 314) = ( 0.1666667 0.2886751 0.1862981), wk = 0.0025773 k( 315) = ( 0.1617647 0.2801847 0.1862981), wk = 0.0025773 k( 316) = ( 0.1568627 0.2716943 0.1862981), wk = 0.0025773 k( 317) = ( 0.1519608 0.2632038 0.1862981), wk = 0.0025773 k( 318) = ( 0.1470588 0.2547133 0.1862981), wk = 0.0025773 k( 319) = ( 0.1421569 0.2462229 0.1862981), wk = 0.0025773 k( 320) = ( 0.1372549 0.2377325 0.1862981), wk = 0.0025773 k( 321) = ( 0.1323529 0.2292420 0.1862981), wk = 0.0025773 k( 322) = ( 0.1274510 0.2207516 0.1862981), wk = 0.0025773 k( 323) = ( 0.1225490 0.2122611 0.1862981), wk = 0.0025773 k( 324) = ( 0.1176471 0.2037707 0.1862981), wk = 0.0025773 k( 325) = ( 0.1127451 0.1952802 0.1862981), wk = 0.0025773 k( 326) = ( 0.1078431 0.1867898 0.1862981), wk = 0.0025773 k( 327) = ( 0.1029412 0.1782994 0.1862981), wk = 0.0025773 k( 328) = ( 0.0980392 0.1698089 0.1862981), wk = 0.0025773 k( 329) = ( 0.0931373 0.1613184 0.1862981), wk = 0.0025773 k( 330) = ( 0.0882353 0.1528280 0.1862981), wk = 0.0025773 k( 331) = ( 0.0833333 0.1443376 0.1862981), wk = 0.0025773 k( 332) = ( 0.0784314 0.1358471 0.1862981), wk = 0.0025773 k( 333) = ( 0.0735294 0.1273567 0.1862981), wk = 0.0025773 k( 334) = ( 0.0686275 0.1188662 0.1862981), wk = 0.0025773 k( 335) = ( 0.0637255 0.1103758 0.1862981), wk = 0.0025773 k( 336) = ( 0.0588235 0.1018853 0.1862981), wk = 0.0025773 k( 337) = ( 0.0539216 0.0933949 0.1862981), wk = 0.0025773 k( 338) = ( 0.0490196 0.0849045 0.1862981), wk = 0.0025773 k( 339) = ( 0.0441177 0.0764140 0.1862981), wk = 0.0025773 k( 340) = ( 0.0392157 0.0679236 0.1862981), wk = 0.0025773 k( 341) = ( 0.0343137 0.0594331 0.1862981), wk = 0.0025773 k( 342) = ( 0.0294118 0.0509427 0.1862981), wk = 0.0025773 k( 343) = ( 0.0245098 0.0424522 0.1862981), wk = 0.0025773 k( 344) = ( 0.0196078 0.0339618 0.1862981), wk = 0.0025773 k( 345) = ( 0.0147059 0.0254713 0.1862981), wk = 0.0025773 k( 346) = ( 0.0098039 0.0169809 0.1862981), wk = 0.0025773 k( 347) = ( 0.0049020 0.0084904 0.1862981), wk = 0.0025773 k( 348) = ( 0.0000000 0.0000000 0.1862981), wk = 0.0025773 k( 349) = ( 0.5000000 0.2886751 0.1862981), wk = 0.0025773 k( 350) = ( 0.5000000 0.2886751 0.1764929), wk = 0.0025773 k( 351) = ( 0.5000000 0.2886751 0.1666878), wk = 0.0025773 k( 352) = ( 0.5000000 0.2886751 0.1568826), wk = 0.0025773 k( 353) = ( 0.5000000 0.2886751 0.1470774), wk = 0.0025773 k( 354) = ( 0.5000000 0.2886751 0.1372723), wk = 0.0025773 k( 355) = ( 0.5000000 0.2886751 0.1274671), wk = 0.0025773 k( 356) = ( 0.5000000 0.2886751 0.1176619), wk = 0.0025773 k( 357) = ( 0.5000000 0.2886751 0.1078568), wk = 0.0025773 k( 358) = ( 0.5000000 0.2886751 0.0980516), wk = 0.0025773 k( 359) = ( 0.5000000 0.2886751 0.0882465), wk = 0.0025773 k( 360) = ( 0.5000000 0.2886751 0.0784413), wk = 0.0025773 k( 361) = ( 0.5000000 0.2886751 0.0686361), wk = 0.0025773 k( 362) = ( 0.5000000 0.2886751 0.0588310), wk = 0.0025773 k( 363) = ( 0.5000000 0.2886751 0.0490258), wk = 0.0025773 k( 364) = ( 0.5000000 0.2886751 0.0392206), wk = 0.0025773 k( 365) = ( 0.5000000 0.2886751 0.0294155), wk = 0.0025773 k( 366) = ( 0.5000000 0.2886751 0.0196103), wk = 0.0025773 k( 367) = ( 0.5000000 0.2886751 0.0098052), wk = 0.0025773 k( 368) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025773 k( 369) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025773 k( 370) = ( 0.3333333 0.5773503 0.0098052), wk = 0.0025773 k( 371) = ( 0.3333333 0.5773503 0.0196103), wk = 0.0025773 k( 372) = ( 0.3333333 0.5773503 0.0294155), wk = 0.0025773 k( 373) = ( 0.3333333 0.5773503 0.0392206), wk = 0.0025773 k( 374) = ( 0.3333333 0.5773503 0.0490258), wk = 0.0025773 k( 375) = ( 0.3333333 0.5773503 0.0588310), wk = 0.0025773 k( 376) = ( 0.3333333 0.5773503 0.0686361), wk = 0.0025773 k( 377) = ( 0.3333333 0.5773503 0.0784413), wk = 0.0025773 k( 378) = ( 0.3333333 0.5773503 0.0882465), wk = 0.0025773 k( 379) = ( 0.3333333 0.5773503 0.0980516), wk = 0.0025773 k( 380) = ( 0.3333333 0.5773503 0.1078568), wk = 0.0025773 k( 381) = ( 0.3333333 0.5773503 0.1176619), wk = 0.0025773 k( 382) = ( 0.3333333 0.5773503 0.1274671), wk = 0.0025773 k( 383) = ( 0.3333333 0.5773503 0.1372723), wk = 0.0025773 k( 384) = ( 0.3333333 0.5773503 0.1470774), wk = 0.0025773 k( 385) = ( 0.3333333 0.5773503 0.1568826), wk = 0.0025773 k( 386) = ( 0.3333333 0.5773503 0.1666878), wk = 0.0025773 k( 387) = ( 0.3333333 0.5773503 0.1764929), wk = 0.0025773 k( 388) = ( 0.3333333 0.5773503 0.1862981), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0084746 0.0000000 0.0000000), wk = 0.0025773 k( 3) = ( 0.0169491 0.0000000 0.0000000), wk = 0.0025773 k( 4) = ( 0.0254237 0.0000000 0.0000000), wk = 0.0025773 k( 5) = ( 0.0338983 0.0000000 0.0000000), wk = 0.0025773 k( 6) = ( 0.0423729 0.0000000 0.0000000), wk = 0.0025773 k( 7) = ( 0.0508475 0.0000000 0.0000000), wk = 0.0025773 k( 8) = ( 0.0593220 0.0000000 0.0000000), wk = 0.0025773 k( 9) = ( 0.0677966 0.0000000 0.0000000), wk = 0.0025773 k( 10) = ( 0.0762712 0.0000000 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0847458 0.0000000 0.0000000), wk = 0.0025773 k( 12) = ( 0.0932203 0.0000000 0.0000000), wk = 0.0025773 k( 13) = ( 0.1016949 0.0000000 0.0000000), wk = 0.0025773 k( 14) = ( 0.1101695 0.0000000 0.0000000), wk = 0.0025773 k( 15) = ( 0.1186441 -0.0000000 -0.0000000), wk = 0.0025773 k( 16) = ( 0.1271186 0.0000000 0.0000000), wk = 0.0025773 k( 17) = ( 0.1355932 0.0000000 0.0000000), wk = 0.0025773 k( 18) = ( 0.1440678 0.0000000 -0.0000000), wk = 0.0025773 k( 19) = ( 0.1525424 0.0000000 0.0000000), wk = 0.0025773 k( 20) = ( 0.1610169 0.0000000 -0.0000000), wk = 0.0025773 k( 21) = ( 0.1694915 0.0000000 0.0000000), wk = 0.0025773 k( 22) = ( 0.1779661 0.0000000 0.0000000), wk = 0.0025773 k( 23) = ( 0.1864407 0.0000000 0.0000000), wk = 0.0025773 k( 24) = ( 0.1949153 0.0000000 0.0000000), wk = 0.0025773 k( 25) = ( 0.2033898 0.0000000 0.0000000), wk = 0.0025773 k( 26) = ( 0.2118644 0.0000000 0.0000000), wk = 0.0025773 k( 27) = ( 0.2203390 0.0000000 0.0000000), wk = 0.0025773 k( 28) = ( 0.2288136 0.0000000 0.0000000), wk = 0.0025773 k( 29) = ( 0.2372881 -0.0000000 -0.0000000), wk = 0.0025773 k( 30) = ( 0.2457627 0.0000000 -0.0000000), wk = 0.0025773 k( 31) = ( 0.2542373 0.0000000 -0.0000000), wk = 0.0025773 k( 32) = ( 0.2627119 0.0000000 -0.0000000), wk = 0.0025773 k( 33) = ( 0.2711864 0.0000000 0.0000000), wk = 0.0025773 k( 34) = ( 0.2796610 0.0000000 0.0000000), wk = 0.0025773 k( 35) = ( 0.2881356 0.0000000 0.0000000), wk = 0.0025773 k( 36) = ( 0.2966102 0.0000000 0.0000000), wk = 0.0025773 k( 37) = ( 0.3050848 0.0000000 0.0000000), wk = 0.0025773 k( 38) = ( 0.3135593 0.0000000 0.0000000), wk = 0.0025773 k( 39) = ( 0.3220339 0.0000000 -0.0000000), wk = 0.0025773 k( 40) = ( 0.3305085 0.0000000 -0.0000000), wk = 0.0025773 k( 41) = ( 0.3389831 0.0000000 0.0000000), wk = 0.0025773 k( 42) = ( 0.3474576 0.0000000 0.0000000), wk = 0.0025773 k( 43) = ( 0.3559322 0.0000000 0.0000000), wk = 0.0025773 k( 44) = ( 0.3644068 0.0000000 0.0000000), wk = 0.0025773 k( 45) = ( 0.3728814 0.0000000 0.0000000), wk = 0.0025773 k( 46) = ( 0.3813559 0.0000000 0.0000000), wk = 0.0025773 k( 47) = ( 0.3898305 0.0000000 0.0000000), wk = 0.0025773 k( 48) = ( 0.3983051 0.0000000 0.0000000), wk = 0.0025773 k( 49) = ( 0.4067797 0.0000000 0.0000000), wk = 0.0025773 k( 50) = ( 0.4152542 0.0000000 0.0000000), wk = 0.0025773 k( 51) = ( 0.4237288 0.0000000 0.0000000), wk = 0.0025773 k( 52) = ( 0.4322034 0.0000000 0.0000000), wk = 0.0025773 k( 53) = ( 0.4406780 0.0000000 0.0000000), wk = 0.0025773 k( 54) = ( 0.4491525 0.0000000 0.0000000), wk = 0.0025773 k( 55) = ( 0.4576271 0.0000000 0.0000000), wk = 0.0025773 k( 56) = ( 0.4661017 0.0000000 0.0000000), wk = 0.0025773 k( 57) = ( 0.4745763 0.0000000 -0.0000000), wk = 0.0025773 k( 58) = ( 0.4830508 -0.0000000 0.0000000), wk = 0.0025773 k( 59) = ( 0.4915254 0.0000000 -0.0000000), wk = 0.0025773 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025773 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025773 k( 62) = ( 0.4950980 0.0098039 0.0000000), wk = 0.0025773 k( 63) = ( 0.4901961 0.0196078 0.0000000), wk = 0.0025773 k( 64) = ( 0.4852941 0.0294118 -0.0000000), wk = 0.0025773 k( 65) = ( 0.4803922 0.0392157 -0.0000000), wk = 0.0025773 k( 66) = ( 0.4754902 0.0490196 0.0000000), wk = 0.0025773 k( 67) = ( 0.4705882 0.0588235 0.0000000), wk = 0.0025773 k( 68) = ( 0.4656863 0.0686275 0.0000000), wk = 0.0025773 k( 69) = ( 0.4607843 0.0784314 0.0000000), wk = 0.0025773 k( 70) = ( 0.4558823 0.0882353 -0.0000000), wk = 0.0025773 k( 71) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0025773 k( 72) = ( 0.4460784 0.1078431 0.0000000), wk = 0.0025773 k( 73) = ( 0.4411765 0.1176471 -0.0000000), wk = 0.0025773 k( 74) = ( 0.4362745 0.1274510 -0.0000000), wk = 0.0025773 k( 75) = ( 0.4313726 0.1372549 0.0000000), wk = 0.0025773 k( 76) = ( 0.4264706 0.1470588 0.0000000), wk = 0.0025773 k( 77) = ( 0.4215686 0.1568627 0.0000000), wk = 0.0025773 k( 78) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0025773 k( 79) = ( 0.4117647 0.1764706 0.0000000), wk = 0.0025773 k( 80) = ( 0.4068627 0.1862745 0.0000000), wk = 0.0025773 k( 81) = ( 0.4019608 0.1960784 0.0000000), wk = 0.0025773 k( 82) = ( 0.3970588 0.2058823 -0.0000000), wk = 0.0025773 k( 83) = ( 0.3921569 0.2156863 0.0000000), wk = 0.0025773 k( 84) = ( 0.3872549 0.2254902 0.0000000), wk = 0.0025773 k( 85) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0025773 k( 86) = ( 0.3774510 0.2450980 0.0000000), wk = 0.0025773 k( 87) = ( 0.3725490 0.2549020 0.0000000), wk = 0.0025773 k( 88) = ( 0.3676471 0.2647059 -0.0000000), wk = 0.0025773 k( 89) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0025773 k( 90) = ( 0.3578431 0.2843137 0.0000000), wk = 0.0025773 k( 91) = ( 0.3529412 0.2941177 0.0000000), wk = 0.0025773 k( 92) = ( 0.3480392 0.3039216 -0.0000000), wk = 0.0025773 k( 93) = ( 0.3431373 0.3137255 -0.0000000), wk = 0.0025773 k( 94) = ( 0.3382353 0.3235294 0.0000000), wk = 0.0025773 k( 95) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025773 k( 96) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025773 k( 97) = ( 0.3284314 0.3284314 -0.0000000), wk = 0.0025773 k( 98) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0025773 k( 99) = ( 0.3186274 0.3186275 -0.0000000), wk = 0.0025773 k( 100) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0025773 k( 101) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0025773 k( 102) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0025773 k( 103) = ( 0.2990196 0.2990196 -0.0000000), wk = 0.0025773 k( 104) = ( 0.2941177 0.2941176 0.0000000), wk = 0.0025773 k( 105) = ( 0.2892157 0.2892157 -0.0000000), wk = 0.0025773 k( 106) = ( 0.2843137 0.2843137 0.0000000), wk = 0.0025773 k( 107) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0025773 k( 108) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0025773 k( 109) = ( 0.2696078 0.2696078 0.0000000), wk = 0.0025773 k( 110) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0025773 k( 111) = ( 0.2598039 0.2598039 0.0000000), wk = 0.0025773 k( 112) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0025773 k( 113) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0025773 k( 114) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0025773 k( 115) = ( 0.2401961 0.2401961 0.0000000), wk = 0.0025773 k( 116) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0025773 k( 117) = ( 0.2303922 0.2303922 -0.0000000), wk = 0.0025773 k( 118) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0025773 k( 119) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0025773 k( 120) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0025773 k( 121) = ( 0.2107843 0.2107843 0.0000000), wk = 0.0025773 k( 122) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0025773 k( 123) = ( 0.2009804 0.2009804 -0.0000000), wk = 0.0025773 k( 124) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0025773 k( 125) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0025773 k( 126) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0025773 k( 127) = ( 0.1813725 0.1813725 0.0000000), wk = 0.0025773 k( 128) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0025773 k( 129) = ( 0.1715686 0.1715686 0.0000000), wk = 0.0025773 k( 130) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025773 k( 131) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0025773 k( 132) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0025773 k( 133) = ( 0.1519608 0.1519608 -0.0000000), wk = 0.0025773 k( 134) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0025773 k( 135) = ( 0.1421569 0.1421569 -0.0000000), wk = 0.0025773 k( 136) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0025773 k( 137) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0025773 k( 138) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0025773 k( 139) = ( 0.1225490 0.1225490 0.0000000), wk = 0.0025773 k( 140) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0025773 k( 141) = ( 0.1127451 0.1127451 -0.0000000), wk = 0.0025773 k( 142) = ( 0.1078431 0.1078431 0.0000000), wk = 0.0025773 k( 143) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0025773 k( 144) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0025773 k( 145) = ( 0.0931373 0.0931373 0.0000000), wk = 0.0025773 k( 146) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0025773 k( 147) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0025773 k( 148) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0025773 k( 149) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0025773 k( 150) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0025773 k( 151) = ( 0.0637255 0.0637255 0.0000000), wk = 0.0025773 k( 152) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0025773 k( 153) = ( 0.0539216 0.0539216 0.0000000), wk = 0.0025773 k( 154) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0025773 k( 155) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0025773 k( 156) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0025773 k( 157) = ( 0.0343137 0.0343137 0.0000000), wk = 0.0025773 k( 158) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0025773 k( 159) = ( 0.0245098 0.0245098 0.0000000), wk = 0.0025773 k( 160) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0025773 k( 161) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0025773 k( 162) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0025773 k( 163) = ( 0.0049020 0.0049020 0.0000000), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 186) = ( 0.0084746 0.0000000 0.5000000), wk = 0.0025773 k( 187) = ( 0.0169491 0.0000000 0.5000000), wk = 0.0025773 k( 188) = ( 0.0254237 0.0000000 0.5000000), wk = 0.0025773 k( 189) = ( 0.0338983 0.0000000 0.5000000), wk = 0.0025773 k( 190) = ( 0.0423729 0.0000000 0.5000000), wk = 0.0025773 k( 191) = ( 0.0508475 0.0000000 0.5000000), wk = 0.0025773 k( 192) = ( 0.0593220 0.0000000 0.5000000), wk = 0.0025773 k( 193) = ( 0.0677966 0.0000000 0.5000000), wk = 0.0025773 k( 194) = ( 0.0762712 0.0000000 0.5000000), wk = 0.0025773 k( 195) = ( 0.0847458 0.0000000 0.5000000), wk = 0.0025773 k( 196) = ( 0.0932203 0.0000000 0.5000000), wk = 0.0025773 k( 197) = ( 0.1016949 0.0000000 0.5000000), wk = 0.0025773 k( 198) = ( 0.1101695 0.0000000 0.5000000), wk = 0.0025773 k( 199) = ( 0.1186441 -0.0000000 0.5000000), wk = 0.0025773 k( 200) = ( 0.1271186 0.0000000 0.5000000), wk = 0.0025773 k( 201) = ( 0.1355932 0.0000000 0.5000000), wk = 0.0025773 k( 202) = ( 0.1440678 0.0000000 0.5000000), wk = 0.0025773 k( 203) = ( 0.1525424 0.0000000 0.5000000), wk = 0.0025773 k( 204) = ( 0.1610169 0.0000000 0.5000000), wk = 0.0025773 k( 205) = ( 0.1694915 0.0000000 0.5000000), wk = 0.0025773 k( 206) = ( 0.1779661 0.0000000 0.5000000), wk = 0.0025773 k( 207) = ( 0.1864407 0.0000000 0.5000000), wk = 0.0025773 k( 208) = ( 0.1949153 0.0000000 0.5000000), wk = 0.0025773 k( 209) = ( 0.2033898 0.0000000 0.5000000), wk = 0.0025773 k( 210) = ( 0.2118644 0.0000000 0.5000000), wk = 0.0025773 k( 211) = ( 0.2203390 0.0000000 0.5000000), wk = 0.0025773 k( 212) = ( 0.2288136 0.0000000 0.5000000), wk = 0.0025773 k( 213) = ( 0.2372881 -0.0000000 0.5000000), wk = 0.0025773 k( 214) = ( 0.2457627 0.0000000 0.5000000), wk = 0.0025773 k( 215) = ( 0.2542373 0.0000000 0.5000000), wk = 0.0025773 k( 216) = ( 0.2627119 0.0000000 0.5000000), wk = 0.0025773 k( 217) = ( 0.2711864 0.0000000 0.5000000), wk = 0.0025773 k( 218) = ( 0.2796610 0.0000000 0.5000000), wk = 0.0025773 k( 219) = ( 0.2881356 0.0000000 0.5000000), wk = 0.0025773 k( 220) = ( 0.2966102 0.0000000 0.5000000), wk = 0.0025773 k( 221) = ( 0.3050848 0.0000000 0.5000000), wk = 0.0025773 k( 222) = ( 0.3135593 0.0000000 0.5000000), wk = 0.0025773 k( 223) = ( 0.3220339 0.0000000 0.5000000), wk = 0.0025773 k( 224) = ( 0.3305085 0.0000000 0.5000000), wk = 0.0025773 k( 225) = ( 0.3389831 0.0000000 0.5000000), wk = 0.0025773 k( 226) = ( 0.3474576 0.0000000 0.5000000), wk = 0.0025773 k( 227) = ( 0.3559322 0.0000000 0.5000000), wk = 0.0025773 k( 228) = ( 0.3644068 0.0000000 0.5000000), wk = 0.0025773 k( 229) = ( 0.3728814 0.0000000 0.5000000), wk = 0.0025773 k( 230) = ( 0.3813559 0.0000000 0.5000000), wk = 0.0025773 k( 231) = ( 0.3898305 0.0000000 0.5000000), wk = 0.0025773 k( 232) = ( 0.3983051 0.0000000 0.5000000), wk = 0.0025773 k( 233) = ( 0.4067797 0.0000000 0.5000000), wk = 0.0025773 k( 234) = ( 0.4152542 0.0000000 0.5000000), wk = 0.0025773 k( 235) = ( 0.4237288 0.0000000 0.5000000), wk = 0.0025773 k( 236) = ( 0.4322034 0.0000000 0.5000000), wk = 0.0025773 k( 237) = ( 0.4406780 0.0000000 0.5000000), wk = 0.0025773 k( 238) = ( 0.4491525 0.0000000 0.5000000), wk = 0.0025773 k( 239) = ( 0.4576271 0.0000000 0.5000000), wk = 0.0025773 k( 240) = ( 0.4661017 0.0000000 0.5000000), wk = 0.0025773 k( 241) = ( 0.4745763 0.0000000 0.5000000), wk = 0.0025773 k( 242) = ( 0.4830508 -0.0000000 0.5000000), wk = 0.0025773 k( 243) = ( 0.4915254 0.0000000 0.5000000), wk = 0.0025773 k( 244) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025773 k( 245) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025773 k( 246) = ( 0.4950980 0.0098039 0.5000000), wk = 0.0025773 k( 247) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0025773 k( 248) = ( 0.4852941 0.0294118 0.5000000), wk = 0.0025773 k( 249) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0025773 k( 250) = ( 0.4754902 0.0490196 0.5000000), wk = 0.0025773 k( 251) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0025773 k( 252) = ( 0.4656863 0.0686275 0.5000000), wk = 0.0025773 k( 253) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0025773 k( 254) = ( 0.4558823 0.0882353 0.5000000), wk = 0.0025773 k( 255) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0025773 k( 256) = ( 0.4460784 0.1078431 0.5000000), wk = 0.0025773 k( 257) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0025773 k( 258) = ( 0.4362745 0.1274510 0.5000000), wk = 0.0025773 k( 259) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0025773 k( 260) = ( 0.4264706 0.1470588 0.5000000), wk = 0.0025773 k( 261) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0025773 k( 262) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0025773 k( 263) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0025773 k( 264) = ( 0.4068627 0.1862745 0.5000000), wk = 0.0025773 k( 265) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0025773 k( 266) = ( 0.3970588 0.2058823 0.5000000), wk = 0.0025773 k( 267) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0025773 k( 268) = ( 0.3872549 0.2254902 0.5000000), wk = 0.0025773 k( 269) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0025773 k( 270) = ( 0.3774510 0.2450980 0.5000000), wk = 0.0025773 k( 271) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0025773 k( 272) = ( 0.3676471 0.2647059 0.5000000), wk = 0.0025773 k( 273) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0025773 k( 274) = ( 0.3578431 0.2843137 0.5000000), wk = 0.0025773 k( 275) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0025773 k( 276) = ( 0.3480392 0.3039216 0.5000000), wk = 0.0025773 k( 277) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0025773 k( 278) = ( 0.3382353 0.3235294 0.5000000), wk = 0.0025773 k( 279) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025773 k( 280) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025773 k( 281) = ( 0.3284314 0.3284314 0.5000000), wk = 0.0025773 k( 282) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0025773 k( 283) = ( 0.3186274 0.3186275 0.5000000), wk = 0.0025773 k( 284) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0025773 k( 285) = ( 0.3088235 0.3088235 0.5000000), wk = 0.0025773 k( 286) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0025773 k( 287) = ( 0.2990196 0.2990196 0.5000000), wk = 0.0025773 k( 288) = ( 0.2941177 0.2941176 0.5000000), wk = 0.0025773 k( 289) = ( 0.2892157 0.2892157 0.5000000), wk = 0.0025773 k( 290) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0025773 k( 291) = ( 0.2794118 0.2794118 0.5000000), wk = 0.0025773 k( 292) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0025773 k( 293) = ( 0.2696078 0.2696078 0.5000000), wk = 0.0025773 k( 294) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0025773 k( 295) = ( 0.2598039 0.2598039 0.5000000), wk = 0.0025773 k( 296) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0025773 k( 297) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025773 k( 298) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0025773 k( 299) = ( 0.2401961 0.2401961 0.5000000), wk = 0.0025773 k( 300) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0025773 k( 301) = ( 0.2303922 0.2303922 0.5000000), wk = 0.0025773 k( 302) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0025773 k( 303) = ( 0.2205882 0.2205882 0.5000000), wk = 0.0025773 k( 304) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0025773 k( 305) = ( 0.2107843 0.2107843 0.5000000), wk = 0.0025773 k( 306) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0025773 k( 307) = ( 0.2009804 0.2009804 0.5000000), wk = 0.0025773 k( 308) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0025773 k( 309) = ( 0.1911765 0.1911765 0.5000000), wk = 0.0025773 k( 310) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0025773 k( 311) = ( 0.1813725 0.1813725 0.5000000), wk = 0.0025773 k( 312) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0025773 k( 313) = ( 0.1715686 0.1715686 0.5000000), wk = 0.0025773 k( 314) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025773 k( 315) = ( 0.1617647 0.1617647 0.5000000), wk = 0.0025773 k( 316) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0025773 k( 317) = ( 0.1519608 0.1519608 0.5000000), wk = 0.0025773 k( 318) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0025773 k( 319) = ( 0.1421569 0.1421569 0.5000000), wk = 0.0025773 k( 320) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0025773 k( 321) = ( 0.1323529 0.1323529 0.5000000), wk = 0.0025773 k( 322) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0025773 k( 323) = ( 0.1225490 0.1225490 0.5000000), wk = 0.0025773 k( 324) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0025773 k( 325) = ( 0.1127451 0.1127451 0.5000000), wk = 0.0025773 k( 326) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0025773 k( 327) = ( 0.1029412 0.1029412 0.5000000), wk = 0.0025773 k( 328) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0025773 k( 329) = ( 0.0931373 0.0931373 0.5000000), wk = 0.0025773 k( 330) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0025773 k( 331) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0025773 k( 332) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0025773 k( 333) = ( 0.0735294 0.0735294 0.5000000), wk = 0.0025773 k( 334) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0025773 k( 335) = ( 0.0637255 0.0637255 0.5000000), wk = 0.0025773 k( 336) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0025773 k( 337) = ( 0.0539216 0.0539216 0.5000000), wk = 0.0025773 k( 338) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0025773 k( 339) = ( 0.0441177 0.0441176 0.5000000), wk = 0.0025773 k( 340) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0025773 k( 341) = ( 0.0343137 0.0343137 0.5000000), wk = 0.0025773 k( 342) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0025773 k( 343) = ( 0.0245098 0.0245098 0.5000000), wk = 0.0025773 k( 344) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0025773 k( 345) = ( 0.0147059 0.0147059 0.5000000), wk = 0.0025773 k( 346) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0025773 k( 347) = ( 0.0049020 0.0049020 0.5000000), wk = 0.0025773 k( 348) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 349) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025773 k( 350) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0025773 k( 351) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0025773 k( 352) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0025773 k( 353) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0025773 k( 354) = ( 0.5000000 0.0000000 0.3684210), wk = 0.0025773 k( 355) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0025773 k( 356) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0025773 k( 357) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0025773 k( 358) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0025773 k( 359) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0025773 k( 360) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0025773 k( 361) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0025773 k( 362) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0025773 k( 363) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0025773 k( 364) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0025773 k( 365) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0025773 k( 366) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0025773 k( 367) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0025773 k( 368) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025773 k( 369) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025773 k( 370) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0025773 k( 371) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0025773 k( 372) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0025773 k( 373) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0025773 k( 374) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0025773 k( 375) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0025773 k( 376) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0025773 k( 377) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0025773 k( 378) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0025773 k( 379) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0025773 k( 380) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0025773 k( 381) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0025773 k( 382) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0025773 k( 383) = ( 0.3333333 0.3333333 0.3684210), wk = 0.0025773 k( 384) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0025773 k( 385) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0025773 k( 386) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0025773 k( 387) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0025773 k( 388) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025773 Dense grid: 71043 G-vectors FFT dimensions: ( 40, 40, 108) Smooth grid: 20343 G-vectors FFT dimensions: ( 25, 25, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 114, 52) NL pseudopotentials 0.11 Mb ( 57, 124) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1486) G-vector shells 0.01 Mb ( 708) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 114, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.20 Mb ( 124, 2, 52) The potential is recalculated from file : ./PtO2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.6 secs Computing kpt #: 2 total cpu time spent up to now is 46.6 secs Computing kpt #: 3 total cpu time spent up to now is 48.5 secs Computing kpt #: 4 total cpu time spent up to now is 50.6 secs Computing kpt #: 5 total cpu time spent up to now is 52.5 secs Computing kpt #: 6 total cpu time spent up to now is 54.4 secs Computing kpt #: 7 total cpu time spent up to now is 56.7 secs Computing kpt #: 8 total cpu time spent up to now is 58.7 secs Computing kpt #: 9 total cpu time spent up to now is 60.7 secs Computing kpt #: 10 total cpu time spent up to now is 62.9 secs Computing kpt #: 11 total cpu time spent up to now is 64.6 secs Computing kpt #: 12 total cpu time spent up to now is 66.5 secs Computing kpt #: 13 total cpu time spent up to now is 71.4 secs Computing kpt #: 14 total cpu time spent up to now is 73.5 secs Computing kpt #: 15 total cpu time spent up to now is 75.2 secs Computing kpt #: 16 total cpu time spent up to now is 76.8 secs Computing kpt #: 17 total cpu time spent up to now is 80.0 secs Computing kpt #: 18 total cpu time spent up to now is 82.2 secs Computing kpt #: 19 total cpu time spent up to now is 84.1 secs Computing kpt #: 20 total cpu time spent up to now is 88.5 secs Computing kpt #: 21 total cpu time spent up to now is 90.1 secs Computing kpt #: 22 total cpu time spent up to now is 91.7 secs Computing kpt #: 23 total cpu time spent up to now is 93.5 secs Computing kpt #: 24 total cpu time spent up to now is 95.3 secs Computing kpt #: 25 total cpu time spent up to now is 97.1 secs Computing kpt #: 26 total cpu time spent up to now is 99.2 secs Computing kpt #: 27 total cpu time spent up to now is 101.4 secs Computing kpt #: 28 total cpu time spent up to now is 103.0 secs Computing kpt #: 29 total cpu time spent up to now is 104.7 secs Computing kpt #: 30 total cpu time spent up to now is 108.8 secs Computing kpt #: 31 total cpu time spent up to now is 111.4 secs Computing kpt #: 32 total cpu time spent up to now is 113.7 secs Computing kpt #: 33 total cpu time spent up to now is 115.3 secs Computing kpt #: 34 total cpu time spent up to now is 116.8 secs Computing kpt #: 35 total cpu time spent up to now is 118.7 secs Computing kpt #: 36 total cpu time spent up to now is 120.5 secs Computing kpt #: 37 total cpu time spent up to now is 122.1 secs Computing kpt #: 38 total cpu time spent up to now is 124.2 secs Computing kpt #: 39 total cpu time spent up to now is 126.1 secs Computing kpt #: 40 total cpu time spent up to now is 127.9 secs Computing kpt #: 41 total cpu time spent up to now is 129.8 secs Computing kpt #: 42 total cpu time spent up to now is 132.9 secs Computing kpt #: 43 total cpu time spent up to now is 137.7 secs Computing kpt #: 44 total cpu time spent up to now is 140.5 secs Computing kpt #: 45 total cpu time spent up to now is 142.9 secs Computing kpt #: 46 total cpu time spent up to now is 145.2 secs Computing kpt #: 47 total cpu time spent up to now is 148.1 secs Computing kpt #: 48 total cpu time spent up to now is 149.8 secs Computing kpt #: 49 total cpu time spent up to now is 151.5 secs Computing kpt #: 50 total cpu time spent up to now is 153.9 secs Computing kpt #: 51 total cpu time spent up to now is 156.2 secs Computing kpt #: 52 total cpu time spent up to now is 157.7 secs Computing kpt #: 53 total cpu time spent up to now is 159.2 secs Computing kpt #: 54 total cpu time spent up to now is 160.9 secs Computing kpt #: 55 total cpu time spent up to now is 162.8 secs Computing kpt #: 56 total cpu time spent up to now is 164.6 secs Computing kpt #: 57 total cpu time spent up to now is 167.0 secs Computing kpt #: 58 total cpu time spent up to now is 169.4 secs Computing kpt #: 59 total cpu time spent up to now is 170.9 secs Computing kpt #: 60 total cpu time spent up to now is 172.7 secs Computing kpt #: 61 total cpu time spent up to now is 174.2 secs Computing kpt #: 62 total cpu time spent up to now is 176.6 secs Computing kpt #: 63 total cpu time spent up to now is 178.1 secs Computing kpt #: 64 total cpu time spent up to now is 179.6 secs Computing kpt #: 65 total cpu time spent up to now is 181.0 secs Computing kpt #: 66 total cpu time spent up to now is 182.5 secs Computing kpt #: 67 total cpu time spent up to now is 184.1 secs Computing kpt #: 68 total cpu time spent up to now is 185.6 secs Computing kpt #: 69 total cpu time spent up to now is 187.3 secs Computing kpt #: 70 total cpu time spent up to now is 188.9 secs Computing kpt #: 71 total cpu time spent up to now is 192.8 secs Computing kpt #: 72 total cpu time spent up to now is 194.6 secs Computing kpt #: 73 total cpu time spent up to now is 196.3 secs Computing kpt #: 74 total cpu time spent up to now is 197.8 secs Computing kpt #: 75 total cpu time spent up to now is 199.4 secs Computing kpt #: 76 total cpu time spent up to now is 200.9 secs Computing kpt #: 77 total cpu time spent up to now is 202.5 secs Computing kpt #: 78 total cpu time spent up to now is 205.1 secs Computing kpt #: 79 total cpu time spent up to now is 207.1 secs Computing kpt #: 80 total cpu time spent up to now is 209.0 secs Computing kpt #: 81 total cpu time spent up to now is 211.3 secs Computing kpt #: 82 total cpu time spent up to now is 213.2 secs Computing kpt #: 83 total cpu time spent up to now is 214.9 secs Computing kpt #: 84 total cpu time spent up to now is 216.7 secs Computing kpt #: 85 total cpu time spent up to now is 218.7 secs Computing kpt #: 86 total cpu time spent up to now is 220.2 secs Computing kpt #: 87 total cpu time spent up to now is 222.0 secs Computing kpt #: 88 total cpu time spent up to now is 223.7 secs Computing kpt #: 89 total cpu time spent up to now is 225.9 secs Computing kpt #: 90 total cpu time spent up to now is 227.6 secs Computing kpt #: 91 total cpu time spent up to now is 229.1 secs Computing kpt #: 92 total cpu time spent up to now is 230.8 secs Computing kpt #: 93 total cpu time spent up to now is 232.4 secs Computing kpt #: 94 total cpu time spent up to now is 234.0 secs Computing kpt #: 95 total cpu time spent up to now is 235.4 secs Computing kpt #: 96 total cpu time spent up to now is 236.9 secs Computing kpt #: 97 total cpu time spent up to now is 238.7 secs Computing kpt #: 98 total cpu time spent up to now is 240.5 secs Computing kpt #: 99 total cpu time spent up to now is 242.6 secs Computing kpt #: 100 total cpu time spent up to now is 244.7 secs Computing kpt #: 101 total cpu time spent up to now is 246.2 secs Computing kpt #: 102 total cpu time spent up to now is 247.7 secs Computing kpt #: 103 total cpu time spent up to now is 249.3 secs Computing kpt #: 104 total cpu time spent up to now is 251.3 secs Computing kpt #: 105 total cpu time spent up to now is 253.1 secs Computing kpt #: 106 total cpu time spent up to now is 255.1 secs Computing kpt #: 107 total cpu time spent up to now is 257.4 secs Computing kpt #: 108 total cpu time spent up to now is 259.1 secs Computing kpt #: 109 total cpu time spent up to now is 260.9 secs Computing kpt #: 110 total cpu time spent up to now is 262.5 secs Computing kpt #: 111 total cpu time spent up to now is 264.8 secs Computing kpt #: 112 total cpu time spent up to now is 266.4 secs Computing kpt #: 113 total cpu time spent up to now is 267.9 secs Computing kpt #: 114 total cpu time spent up to now is 269.5 secs Computing kpt #: 115 total cpu time spent up to now is 271.7 secs Computing kpt #: 116 total cpu time spent up to now is 274.0 secs Computing kpt #: 117 total cpu time spent up to now is 276.2 secs Computing kpt #: 118 total cpu time spent up to now is 279.9 secs Computing kpt #: 119 total cpu time spent up to now is 282.7 secs Computing kpt #: 120 total cpu time spent up to now is 284.5 secs Computing kpt #: 121 total cpu time spent up to now is 286.1 secs Computing kpt #: 122 total cpu time spent up to now is 288.2 secs Computing kpt #: 123 total cpu time spent up to now is 290.8 secs Computing kpt #: 124 total cpu time spent up to now is 292.7 secs Computing kpt #: 125 total cpu time spent up to now is 294.4 secs Computing kpt #: 126 total cpu time spent up to now is 295.9 secs Computing kpt #: 127 total cpu time spent up to now is 297.6 secs Computing kpt #: 128 total cpu time spent up to now is 299.4 secs Computing kpt #: 129 total cpu time spent up to now is 301.0 secs Computing kpt #: 130 total cpu time spent up to now is 302.9 secs Computing kpt #: 131 total cpu time spent up to now is 304.5 secs Computing kpt #: 132 total cpu time spent up to now is 306.8 secs Computing kpt #: 133 total cpu time spent up to now is 308.7 secs Computing kpt #: 134 total cpu time spent up to now is 310.3 secs Computing kpt #: 135 total cpu time spent up to now is 311.9 secs Computing kpt #: 136 total cpu time spent up to now is 313.8 secs Computing kpt #: 137 total cpu time spent up to now is 316.0 secs Computing kpt #: 138 total cpu time spent up to now is 317.8 secs Computing kpt #: 139 total cpu time spent up to now is 319.7 secs Computing kpt #: 140 total cpu time spent up to now is 321.5 secs Computing kpt #: 141 total cpu time spent up to now is 323.2 secs Computing kpt #: 142 total cpu time spent up to now is 325.7 secs Computing kpt #: 143 total cpu time spent up to now is 327.3 secs Computing kpt #: 144 total cpu time spent up to now is 329.4 secs Computing kpt #: 145 total cpu time spent up to now is 331.1 secs Computing kpt #: 146 total cpu time spent up to now is 332.7 secs Computing kpt #: 147 total cpu time spent up to now is 335.5 secs Computing kpt #: 148 total cpu time spent up to now is 337.6 secs Computing kpt #: 149 total cpu time spent up to now is 339.2 secs Computing kpt #: 150 total cpu time spent up to now is 341.6 secs Computing kpt #: 151 total cpu time spent up to now is 343.8 secs Computing kpt #: 152 total cpu time spent up to now is 345.6 secs Computing kpt #: 153 total cpu time spent up to now is 347.8 secs Computing kpt #: 154 total cpu time spent up to now is 350.1 secs Computing kpt #: 155 total cpu time spent up to now is 352.0 secs Computing kpt #: 156 total cpu time spent up to now is 354.6 secs Computing kpt #: 157 total cpu time spent up to now is 356.4 secs Computing kpt #: 158 total cpu time spent up to now is 358.5 secs Computing kpt #: 159 total cpu time spent up to now is 360.7 secs Computing kpt #: 160 total cpu time spent up to now is 362.6 secs Computing kpt #: 161 total cpu time spent up to now is 364.5 secs Computing kpt #: 162 total cpu time spent up to now is 366.4 secs Computing kpt #: 163 total cpu time spent up to now is 369.2 secs Computing kpt #: 164 total cpu time spent up to now is 371.2 secs Computing kpt #: 165 total cpu time spent up to now is 373.3 secs Computing kpt #: 166 total cpu time spent up to now is 375.5 secs Computing kpt #: 167 total cpu time spent up to now is 377.4 secs Computing kpt #: 168 total cpu time spent up to now is 379.2 secs Computing kpt #: 169 total cpu time spent up to now is 381.1 secs Computing kpt #: 170 total cpu time spent up to now is 383.2 secs Computing kpt #: 171 total cpu time spent up to now is 385.0 secs Computing kpt #: 172 total cpu time spent up to now is 386.9 secs Computing kpt #: 173 total cpu time spent up to now is 388.7 secs Computing kpt #: 174 total cpu time spent up to now is 390.8 secs Computing kpt #: 175 total cpu time spent up to now is 393.1 secs Computing kpt #: 176 total cpu time spent up to now is 395.0 secs Computing kpt #: 177 total cpu time spent up to now is 396.8 secs Computing kpt #: 178 total cpu time spent up to now is 398.6 secs Computing kpt #: 179 total cpu time spent up to now is 400.4 secs Computing kpt #: 180 total cpu time spent up to now is 402.4 secs Computing kpt #: 181 total cpu time spent up to now is 404.2 secs Computing kpt #: 182 total cpu time spent up to now is 405.9 secs Computing kpt #: 183 total cpu time spent up to now is 407.7 secs Computing kpt #: 184 total cpu time spent up to now is 409.6 secs Computing kpt #: 185 total cpu time spent up to now is 411.4 secs Computing kpt #: 186 total cpu time spent up to now is 413.2 secs Computing kpt #: 187 total cpu time spent up to now is 416.3 secs Computing kpt #: 188 total cpu time spent up to now is 418.4 secs Computing kpt #: 189 total cpu time spent up to now is 420.2 secs Computing kpt #: 190 total cpu time spent up to now is 422.1 secs Computing kpt #: 191 total cpu time spent up to now is 424.4 secs Computing kpt #: 192 total cpu time spent up to now is 426.6 secs Computing kpt #: 193 total cpu time spent up to now is 428.3 secs Computing kpt #: 194 total cpu time spent up to now is 430.5 secs Computing kpt #: 195 total cpu time spent up to now is 432.1 secs Computing kpt #: 196 total cpu time spent up to now is 433.7 secs Computing kpt #: 197 total cpu time spent up to now is 435.3 secs Computing kpt #: 198 total cpu time spent up to now is 437.3 secs Computing kpt #: 199 total cpu time spent up to now is 439.0 secs Computing kpt #: 200 total cpu time spent up to now is 440.7 secs Computing kpt #: 201 total cpu time spent up to now is 443.1 secs Computing kpt #: 202 total cpu time spent up to now is 445.2 secs Computing kpt #: 203 total cpu time spent up to now is 446.8 secs Computing kpt #: 204 total cpu time spent up to now is 448.4 secs Computing kpt #: 205 total cpu time spent up to now is 450.3 secs Computing kpt #: 206 total cpu time spent up to now is 452.1 secs Computing kpt #: 207 total cpu time spent up to now is 454.2 secs Computing kpt #: 208 total cpu time spent up to now is 455.8 secs Computing kpt #: 209 total cpu time spent up to now is 457.4 secs Computing kpt #: 210 total cpu time spent up to now is 459.0 secs Computing kpt #: 211 total cpu time spent up to now is 461.5 secs Computing kpt #: 212 total cpu time spent up to now is 463.5 secs Computing kpt #: 213 total cpu time spent up to now is 465.1 secs Computing kpt #: 214 total cpu time spent up to now is 467.2 secs Computing kpt #: 215 total cpu time spent up to now is 469.1 secs Computing kpt #: 216 total cpu time spent up to now is 471.3 secs Computing kpt #: 217 total cpu time spent up to now is 473.7 secs Computing kpt #: 218 total cpu time spent up to now is 475.8 secs Computing kpt #: 219 total cpu time spent up to now is 478.4 secs Computing kpt #: 220 total cpu time spent up to now is 480.5 secs Computing kpt #: 221 total cpu time spent up to now is 482.4 secs Computing kpt #: 222 total cpu time spent up to now is 484.1 secs Computing kpt #: 223 total cpu time spent up to now is 486.3 secs Computing kpt #: 224 total cpu time spent up to now is 488.5 secs Computing kpt #: 225 total cpu time spent up to now is 490.0 secs Computing kpt #: 226 total cpu time spent up to now is 491.6 secs Computing kpt #: 227 total cpu time spent up to now is 493.5 secs Computing kpt #: 228 total cpu time spent up to now is 495.5 secs Computing kpt #: 229 total cpu time spent up to now is 497.2 secs Computing kpt #: 230 total cpu time spent up to now is 499.3 secs Computing kpt #: 231 total cpu time spent up to now is 500.8 secs Computing kpt #: 232 total cpu time spent up to now is 502.3 secs Computing kpt #: 233 total cpu time spent up to now is 504.1 secs Computing kpt #: 234 total cpu time spent up to now is 506.2 secs Computing kpt #: 235 total cpu time spent up to now is 507.8 secs Computing kpt #: 236 total cpu time spent up to now is 509.2 secs Computing kpt #: 237 total cpu time spent up to now is 510.7 secs Computing kpt #: 238 total cpu time spent up to now is 512.2 secs Computing kpt #: 239 total cpu time spent up to now is 513.7 secs Computing kpt #: 240 total cpu time spent up to now is 515.2 secs Computing kpt #: 241 total cpu time spent up to now is 517.0 secs Computing kpt #: 242 total cpu time spent up to now is 518.8 secs Computing kpt #: 243 total cpu time spent up to now is 520.9 secs Computing kpt #: 244 total cpu time spent up to now is 523.1 secs Computing kpt #: 245 total cpu time spent up to now is 525.7 secs Computing kpt #: 246 total cpu time spent up to now is 527.6 secs Computing kpt #: 247 total cpu time spent up to now is 529.1 secs Computing kpt #: 248 total cpu time spent up to now is 531.0 secs Computing kpt #: 249 total cpu time spent up to now is 533.4 secs Computing kpt #: 250 total cpu time spent up to now is 535.5 secs Computing kpt #: 251 total cpu time spent up to now is 537.0 secs Computing kpt #: 252 total cpu time spent up to now is 538.6 secs Computing kpt #: 253 total cpu time spent up to now is 540.7 secs Computing kpt #: 254 total cpu time spent up to now is 542.5 secs Computing kpt #: 255 total cpu time spent up to now is 544.4 secs Computing kpt #: 256 total cpu time spent up to now is 546.1 secs Computing kpt #: 257 total cpu time spent up to now is 547.6 secs Computing kpt #: 258 total cpu time spent up to now is 549.5 secs Computing kpt #: 259 total cpu time spent up to now is 551.3 secs Computing kpt #: 260 total cpu time spent up to now is 552.9 secs Computing kpt #: 261 total cpu time spent up to now is 554.7 secs Computing kpt #: 262 total cpu time spent up to now is 556.9 secs Computing kpt #: 263 total cpu time spent up to now is 558.4 secs Computing kpt #: 264 total cpu time spent up to now is 560.2 secs Computing kpt #: 265 total cpu time spent up to now is 562.3 secs Computing kpt #: 266 total cpu time spent up to now is 564.3 secs Computing kpt #: 267 total cpu time spent up to now is 566.3 secs Computing kpt #: 268 total cpu time spent up to now is 567.7 secs Computing kpt #: 269 total cpu time spent up to now is 569.5 secs Computing kpt #: 270 total cpu time spent up to now is 571.2 secs Computing kpt #: 271 total cpu time spent up to now is 573.1 secs Computing kpt #: 272 total cpu time spent up to now is 574.9 secs Computing kpt #: 273 total cpu time spent up to now is 576.4 secs Computing kpt #: 274 total cpu time spent up to now is 578.0 secs Computing kpt #: 275 total cpu time spent up to now is 579.6 secs Computing kpt #: 276 total cpu time spent up to now is 581.0 secs Computing kpt #: 277 total cpu time spent up to now is 582.6 secs Computing kpt #: 278 total cpu time spent up to now is 584.4 secs Computing kpt #: 279 total cpu time spent up to now is 586.3 secs Computing kpt #: 280 total cpu time spent up to now is 588.0 secs Computing kpt #: 281 total cpu time spent up to now is 590.1 secs Computing kpt #: 282 total cpu time spent up to now is 592.3 secs Computing kpt #: 283 total cpu time spent up to now is 593.7 secs Computing kpt #: 284 total cpu time spent up to now is 595.3 secs Computing kpt #: 285 total cpu time spent up to now is 596.7 secs Computing kpt #: 286 total cpu time spent up to now is 599.2 secs Computing kpt #: 287 total cpu time spent up to now is 602.1 secs Computing kpt #: 288 total cpu time spent up to now is 604.3 secs Computing kpt #: 289 total cpu time spent up to now is 606.2 secs Computing kpt #: 290 total cpu time spent up to now is 608.2 secs Computing kpt #: 291 total cpu time spent up to now is 610.2 secs Computing kpt #: 292 total cpu time spent up to now is 612.4 secs Computing kpt #: 293 total cpu time spent up to now is 613.8 secs Computing kpt #: 294 total cpu time spent up to now is 615.9 secs Computing kpt #: 295 total cpu time spent up to now is 617.7 secs Computing kpt #: 296 total cpu time spent up to now is 619.9 secs Computing kpt #: 297 total cpu time spent up to now is 622.2 secs Computing kpt #: 298 total cpu time spent up to now is 623.6 secs Computing kpt #: 299 total cpu time spent up to now is 625.2 secs Computing kpt #: 300 total cpu time spent up to now is 626.9 secs Computing kpt #: 301 total cpu time spent up to now is 628.5 secs Computing kpt #: 302 total cpu time spent up to now is 630.4 secs Computing kpt #: 303 total cpu time spent up to now is 632.4 secs Computing kpt #: 304 total cpu time spent up to now is 634.4 secs Computing kpt #: 305 total cpu time spent up to now is 636.4 secs Computing kpt #: 306 total cpu time spent up to now is 638.3 secs Computing kpt #: 307 total cpu time spent up to now is 639.9 secs Computing kpt #: 308 total cpu time spent up to now is 641.8 secs Computing kpt #: 309 total cpu time spent up to now is 643.5 secs Computing kpt #: 310 total cpu time spent up to now is 645.1 secs Computing kpt #: 311 total cpu time spent up to now is 647.3 secs Computing kpt #: 312 total cpu time spent up to now is 648.9 secs Computing kpt #: 313 total cpu time spent up to now is 650.9 secs Computing kpt #: 314 total cpu time spent up to now is 652.4 secs Computing kpt #: 315 total cpu time spent up to now is 654.0 secs Computing kpt #: 316 total cpu time spent up to now is 655.8 secs Computing kpt #: 317 total cpu time spent up to now is 657.8 secs Computing kpt #: 318 total cpu time spent up to now is 659.6 secs Computing kpt #: 319 total cpu time spent up to now is 661.5 secs Computing kpt #: 320 total cpu time spent up to now is 663.1 secs Computing kpt #: 321 total cpu time spent up to now is 664.6 secs Computing kpt #: 322 total cpu time spent up to now is 666.8 secs Computing kpt #: 323 total cpu time spent up to now is 668.9 secs Computing kpt #: 324 total cpu time spent up to now is 670.5 secs Computing kpt #: 325 total cpu time spent up to now is 672.3 secs Computing kpt #: 326 total cpu time spent up to now is 674.1 secs Computing kpt #: 327 total cpu time spent up to now is 676.7 secs Computing kpt #: 328 total cpu time spent up to now is 678.2 secs Computing kpt #: 329 total cpu time spent up to now is 680.4 secs Computing kpt #: 330 total cpu time spent up to now is 683.1 secs Computing kpt #: 331 total cpu time spent up to now is 685.0 secs Computing kpt #: 332 total cpu time spent up to now is 687.1 secs Computing kpt #: 333 total cpu time spent up to now is 689.1 secs Computing kpt #: 334 total cpu time spent up to now is 690.8 secs Computing kpt #: 335 total cpu time spent up to now is 692.6 secs Computing kpt #: 336 total cpu time spent up to now is 694.4 secs Computing kpt #: 337 total cpu time spent up to now is 696.4 secs Computing kpt #: 338 total cpu time spent up to now is 698.0 secs Computing kpt #: 339 total cpu time spent up to now is 699.6 secs Computing kpt #: 340 total cpu time spent up to now is 701.6 secs Computing kpt #: 341 total cpu time spent up to now is 703.8 secs Computing kpt #: 342 total cpu time spent up to now is 705.6 secs Computing kpt #: 343 total cpu time spent up to now is 707.3 secs Computing kpt #: 344 total cpu time spent up to now is 709.6 secs Computing kpt #: 345 total cpu time spent up to now is 711.5 secs Computing kpt #: 346 total cpu time spent up to now is 713.5 secs Computing kpt #: 347 total cpu time spent up to now is 715.2 secs Computing kpt #: 348 total cpu time spent up to now is 716.8 secs Computing kpt #: 349 total cpu time spent up to now is 718.3 secs Computing kpt #: 350 total cpu time spent up to now is 719.8 secs Computing kpt #: 351 total cpu time spent up to now is 721.4 secs Computing kpt #: 352 total cpu time spent up to now is 723.0 secs Computing kpt #: 353 total cpu time spent up to now is 725.5 secs Computing kpt #: 354 total cpu time spent up to now is 728.0 secs Computing kpt #: 355 total cpu time spent up to now is 730.8 secs Computing kpt #: 356 total cpu time spent up to now is 732.3 secs Computing kpt #: 357 total cpu time spent up to now is 733.8 secs Computing kpt #: 358 total cpu time spent up to now is 735.3 secs Computing kpt #: 359 total cpu time spent up to now is 736.8 secs Computing kpt #: 360 total cpu time spent up to now is 738.6 secs Computing kpt #: 361 total cpu time spent up to now is 740.0 secs Computing kpt #: 362 total cpu time spent up to now is 742.1 secs Computing kpt #: 363 total cpu time spent up to now is 743.7 secs Computing kpt #: 364 total cpu time spent up to now is 745.3 secs Computing kpt #: 365 total cpu time spent up to now is 746.8 secs Computing kpt #: 366 total cpu time spent up to now is 748.3 secs Computing kpt #: 367 total cpu time spent up to now is 749.8 secs Computing kpt #: 368 total cpu time spent up to now is 752.0 secs Computing kpt #: 369 total cpu time spent up to now is 753.5 secs Computing kpt #: 370 total cpu time spent up to now is 755.6 secs Computing kpt #: 371 total cpu time spent up to now is 758.5 secs Computing kpt #: 372 total cpu time spent up to now is 760.5 secs Computing kpt #: 373 total cpu time spent up to now is 762.6 secs Computing kpt #: 374 total cpu time spent up to now is 764.6 secs Computing kpt #: 375 total cpu time spent up to now is 766.5 secs Computing kpt #: 376 total cpu time spent up to now is 767.9 secs Computing kpt #: 377 total cpu time spent up to now is 769.4 secs Computing kpt #: 378 total cpu time spent up to now is 771.0 secs Computing kpt #: 379 total cpu time spent up to now is 772.4 secs Computing kpt #: 380 total cpu time spent up to now is 774.4 secs Computing kpt #: 381 total cpu time spent up to now is 776.0 secs Computing kpt #: 382 total cpu time spent up to now is 778.2 secs Computing kpt #: 383 total cpu time spent up to now is 780.2 secs Computing kpt #: 384 total cpu time spent up to now is 781.8 secs Computing kpt #: 385 total cpu time spent up to now is 783.4 secs Computing kpt #: 386 total cpu time spent up to now is 785.1 secs Computing kpt #: 387 total cpu time spent up to now is 786.9 secs Computing kpt #: 388 total cpu time spent up to now is 788.5 secs ethr = 2.27E-11, avg # of iterations = 22.7 total cpu time spent up to now is 788.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2555 PWs) bands (ev): -10.2423 -10.2423 -9.8248 -9.8248 -8.5994 -8.5994 -8.0221 -8.0221 2.2139 2.2139 2.2861 2.2861 2.2898 2.2898 2.6368 2.6368 2.6518 2.6518 3.7022 3.7022 6.2064 6.2064 6.5948 6.5948 6.6396 6.6396 6.7695 6.7695 6.8041 6.8041 6.9975 6.9975 7.1342 7.1342 7.2496 7.2496 7.3918 7.3918 8.3648 8.3648 9.0561 9.0561 9.3816 9.3816 12.2008 12.2008 12.4103 12.4103 12.4933 12.4933 12.7070 12.7070 k = 0.0085 0.0049-0.0000 ( 2549 PWs) bands (ev): -10.2414 -10.2414 -9.8241 -9.8240 -8.5997 -8.5997 -8.0227 -8.0226 2.2148 2.2148 2.2863 2.2864 2.2909 2.2912 2.6377 2.6379 2.6520 2.6520 3.7025 3.7031 6.2069 6.2085 6.5849 6.5878 6.6270 6.6382 6.7572 6.7585 6.7971 6.7972 7.0065 7.0134 7.1381 7.1383 7.2548 7.2575 7.3948 7.3949 8.3634 8.3662 9.0578 9.0585 9.3807 9.3839 12.1997 12.1997 12.4082 12.4083 12.4924 12.4930 12.7046 12.7060 k = 0.0169 0.0098-0.0000 ( 2549 PWs) bands (ev): -10.2390 -10.2389 -9.8218 -9.8217 -8.6006 -8.6005 -8.0244 -8.0244 2.2175 2.2175 2.2867 2.2873 2.2943 2.2951 2.6405 2.6409 2.6528 2.6529 3.7040 3.7052 6.2099 6.2130 6.5589 6.5647 6.6004 6.6245 6.7237 6.7321 6.7771 6.7786 7.0356 7.0457 7.1500 7.1513 7.2709 7.2767 7.4036 7.4043 8.3622 8.3678 9.0635 9.0649 9.3811 9.3877 12.1964 12.1965 12.4020 12.4022 12.4900 12.4914 12.6988 12.7017 k = 0.0254 0.0147-0.0000 ( 2541 PWs) bands (ev): -10.2349 -10.2348 -9.8180 -9.8178 -8.6020 -8.6019 -8.0273 -8.0272 2.2220 2.2220 2.2876 2.2888 2.2998 2.3014 2.6453 2.6458 2.6543 2.6544 3.7067 3.7086 6.2148 6.2193 6.5197 6.5275 6.5628 6.5997 6.6790 6.6990 6.7457 6.7502 7.0733 7.0839 7.1705 7.1733 7.2936 7.3028 7.4187 7.4204 8.3611 8.3695 9.0730 9.0751 9.3829 9.3928 12.1910 12.1911 12.3915 12.3922 12.4862 12.4886 12.6899 12.6941 k = 0.0339 0.0196-0.0000 ( 2543 PWs) bands (ev): -10.2291 -10.2291 -9.8127 -9.8124 -8.6040 -8.6039 -8.0314 -8.0312 2.2282 2.2283 2.2890 2.2908 2.3077 2.3101 2.6518 2.6522 2.6567 2.6568 3.7106 3.7132 6.2206 6.2259 6.4703 6.4783 6.5193 6.5638 6.6323 6.6625 6.7050 6.7134 7.1113 7.1214 7.2000 7.2040 7.3186 7.3309 7.4406 7.4438 8.3600 8.3713 9.0860 9.0889 9.3858 9.3990 12.1834 12.1836 12.3767 12.3783 12.4808 12.4844 12.6782 12.6837 k = 0.0424 0.0245-0.0000 ( 2547 PWs) bands (ev): -10.2218 -10.2217 -9.8059 -9.8056 -8.6066 -8.6065 -8.0366 -8.0364 2.2361 2.2363 2.2908 2.2932 2.3179 2.3210 2.6576 2.6583 2.6617 2.6630 3.7156 3.7188 6.2257 6.2296 6.4127 6.4217 6.4739 6.5171 6.5896 6.6231 6.6579 6.6702 7.1449 7.1539 7.2381 7.2428 7.3431 7.3573 7.4701 7.4742 8.3590 8.3730 9.1022 9.1060 9.3896 9.4063 12.1737 12.1741 12.3577 12.3604 12.4736 12.4787 12.6641 12.6710 k = 0.0508 0.0294-0.0000 ( 2545 PWs) bands (ev): -10.2128 -10.2127 -9.7976 -9.7972 -8.6097 -8.6095 -8.0428 -8.0426 2.2457 2.2461 2.2929 2.2959 2.3305 2.3344 2.6615 2.6626 2.6718 2.6735 3.7216 3.7256 6.2221 6.2269 6.3485 6.3654 6.4297 6.4631 6.5531 6.5805 6.6078 6.6228 7.1726 7.1802 7.2826 7.2880 7.3655 7.3807 7.5065 7.5109 8.3579 8.3748 9.1212 9.1259 9.3941 9.4144 12.1620 12.1626 12.3344 12.3385 12.4646 12.4713 12.6484 12.6565 k = 0.0593 0.0342-0.0000 ( 2541 PWs) bands (ev): -10.2022 -10.2021 -9.7879 -9.7874 -8.6134 -8.6132 -8.0502 -8.0500 2.2570 2.2575 2.2953 2.2989 2.3453 2.3500 2.6660 2.6675 2.6842 2.6862 3.7286 3.7334 6.1899 6.2192 6.2790 6.3177 6.3911 6.4059 6.5246 6.5365 6.5581 6.5735 7.1950 7.2012 7.3301 7.3369 7.3859 7.4022 7.5480 7.5522 8.3566 8.3763 9.1424 9.1482 9.3992 9.4230 12.1481 12.1491 12.3068 12.3124 12.4539 12.4621 12.6316 12.6408 k = 0.0678 0.0391-0.0000 ( 2545 PWs) bands (ev): -10.1901 -10.1900 -9.7767 -9.7761 -8.6175 -8.6173 -8.0586 -8.0583 2.2697 2.2706 2.2979 2.3021 2.3625 2.3679 2.6714 2.6734 2.6986 2.7009 3.7365 3.7422 6.1302 6.1920 6.2104 6.2739 6.3481 6.3589 6.4996 6.5040 6.5105 6.5274 7.2130 7.2178 7.3763 7.3865 7.4053 7.4247 7.5928 7.5966 8.3550 8.3776 9.1654 9.1723 9.4044 9.4319 12.1323 12.1336 12.2750 12.2822 12.4415 12.4510 12.6143 12.6244 k = 0.0763 0.0440-0.0000 ( 2549 PWs) bands (ev): -10.1764 -10.1763 -9.7641 -9.7634 -8.6222 -8.6219 -8.0680 -8.0677 2.2838 2.2852 2.3008 2.3055 2.3819 2.3881 2.6780 2.6807 2.7148 2.7175 3.7452 3.7517 6.0547 6.1218 6.1642 6.2249 6.2908 6.3187 6.4628 6.4659 6.4859 6.5135 7.2270 7.2307 7.4128 7.4177 7.4421 7.4563 7.6393 7.6429 8.3528 8.3784 9.1897 9.1977 9.4095 9.4409 12.1145 12.1161 12.2393 12.2480 12.4276 12.4381 12.5972 12.6080 k = 0.0847 0.0489-0.0000 ( 2549 PWs) bands (ev): -10.1613 -10.1611 -9.7501 -9.7494 -8.6273 -8.6271 -8.0785 -8.0781 2.2982 2.2997 2.3053 2.3102 2.4035 2.4106 2.6857 2.6894 2.7329 2.7361 3.7544 3.7619 5.9717 6.0411 6.1099 6.1704 6.2345 6.2637 6.4166 6.4170 6.4951 6.5246 7.2373 7.2405 7.4334 7.4358 7.4929 7.5003 7.6867 7.6900 8.3500 8.3787 9.2146 9.2240 9.4145 9.4498 12.0944 12.0964 12.2003 12.2102 12.4124 12.4234 12.5806 12.5918 k = 0.0932 0.0538-0.0000 ( 2559 PWs) bands (ev): -10.1446 -10.1444 -9.7348 -9.7340 -8.6330 -8.6326 -8.0898 -8.0895 2.3050 2.3077 2.3206 2.3210 2.4274 2.4353 2.6948 2.6996 2.7528 2.7565 3.7641 3.7727 5.8844 5.9579 6.0438 6.1110 6.1794 6.2010 6.3679 6.3704 6.5190 6.5471 7.2442 7.2476 7.4469 7.4529 7.5438 7.5489 7.7342 7.7374 8.3463 8.3780 9.2398 9.2505 9.4189 9.4583 12.0717 12.0734 12.1593 12.1697 12.3963 12.4071 12.5647 12.5760 k = 0.1017 0.0587-0.0000 ( 2555 PWs) bands (ev): -10.1265 -10.1263 -9.7182 -9.7173 -8.6390 -8.6386 -8.1021 -8.1017 2.3078 2.3119 2.3384 2.3397 2.4535 2.4621 2.7053 2.7115 2.7744 2.7787 3.7739 3.7838 5.7947 5.8737 5.9689 6.0460 6.1255 6.1373 6.3197 6.3247 6.5509 6.5772 7.2481 7.2522 7.4591 7.4680 7.5939 7.5979 7.7814 7.7845 8.3415 8.3764 9.2645 9.2768 9.4228 9.4664 12.0451 12.0454 12.1186 12.1282 12.3794 12.3897 12.5496 12.5608 k = 0.1102 0.0636-0.0000 ( 2553 PWs) bands (ev): -10.1070 -10.1068 -9.7003 -9.6994 -8.6455 -8.6451 -8.1152 -8.1148 2.3104 2.3150 2.3581 2.3604 2.4817 2.4912 2.7172 2.7250 2.7977 2.8028 3.7837 3.7949 5.7032 5.7891 5.8875 5.9750 6.0729 6.0765 6.2726 6.2796 6.5876 6.6125 7.2495 7.2548 7.4702 7.4819 7.6428 7.6462 7.8278 7.8309 8.3355 8.3737 9.2884 9.3024 9.4259 9.4738 12.0091 12.0122 12.0823 12.0888 12.3622 12.3714 12.5353 12.5461 k = 0.1186 0.0685-0.0000 ( 2557 PWs) bands (ev): -10.0861 -10.0859 -9.6812 -9.6802 -8.6523 -8.6519 -8.1291 -8.1286 2.3128 2.3178 2.3793 2.3825 2.5119 2.5223 2.7306 2.7403 2.8228 2.8287 3.7930 3.8059 5.6109 5.7051 5.8014 5.8987 6.0197 6.0216 6.2268 6.2352 6.6276 6.6516 7.2486 7.2556 7.4804 7.4952 7.6901 7.6931 7.8731 7.8763 8.3282 8.3695 9.3110 9.3266 9.4284 9.4806 11.9634 11.9707 12.0521 12.0545 12.3448 12.3525 12.5216 12.5318 k = 0.1271 0.0734-0.0000 ( 2565 PWs) bands (ev): -10.0639 -10.0637 -9.6610 -9.6599 -8.6595 -8.6590 -8.1438 -8.1433 2.3152 2.3203 2.4016 2.4059 2.5442 2.5554 2.7453 2.7572 2.8495 2.8563 3.8015 3.8163 5.5181 5.6224 5.7117 5.8190 5.9665 5.9719 6.1823 6.1919 6.6695 6.6934 7.2458 7.2549 7.4898 7.5079 7.7357 7.7383 7.9171 7.9205 8.3193 8.3639 9.3316 9.3488 9.4302 9.4867 11.9104 11.9210 12.0256 12.0265 12.3274 12.3334 12.5085 12.5180 k = 0.1356 0.0783-0.0000 ( 2565 PWs) bands (ev): -10.0404 -10.0402 -9.6397 -9.6385 -8.6670 -8.6665 -8.1592 -8.1586 2.3176 2.3228 2.4249 2.4305 2.5784 2.5905 2.7613 2.7757 2.8777 2.8857 3.8088 3.8259 5.4253 5.5418 5.6194 5.7377 5.9163 5.9238 6.1393 6.1498 6.7127 6.7368 7.2415 7.2530 7.4987 7.5202 7.7793 7.7814 7.9596 7.9630 8.3089 8.3567 9.3498 9.3681 9.4320 9.4920 11.8531 11.8659 12.0003 12.0035 12.3102 12.3143 12.4959 12.5046 k = 0.1441 0.0832-0.0000 ( 2573 PWs) bands (ev): -10.0158 -10.0155 -9.6174 -9.6161 -8.6748 -8.6743 -8.1752 -8.1746 2.3200 2.3253 2.4491 2.4561 2.6145 2.6275 2.7786 2.7958 2.9075 2.9168 3.8142 3.8340 5.3329 5.4642 5.5252 5.6563 5.8685 5.8773 6.0978 6.1091 6.7561 6.7812 7.2362 7.2504 7.5072 7.5323 7.8206 7.8221 8.0001 8.0038 8.2970 8.3478 9.3651 9.3830 9.4348 9.4968 11.7931 11.8073 11.9774 11.9822 12.2934 12.2953 12.4837 12.4916 k = 0.1525 0.0881-0.0000 ( 2569 PWs) bands (ev): -9.9900 -9.9897 -9.5941 -9.5927 -8.6829 -8.6823 -8.1917 -8.1911 2.3224 2.3279 2.4740 2.4827 2.6523 2.6663 2.7969 2.8173 2.9388 2.9496 3.8173 3.8403 5.2411 5.3903 5.4297 5.5763 5.8231 5.8328 6.0581 6.0699 6.7990 6.8255 7.2303 7.2474 7.5156 7.5442 7.8596 7.8601 8.0386 8.0425 8.2837 8.3373 9.3771 9.3917 9.4401 9.5011 11.7316 11.7466 11.9562 11.9623 12.2768 12.2771 12.4720 12.4791 k = 0.1610 0.0930-0.0000 ( 2569 PWs) bands (ev): -9.9630 -9.9627 -9.5699 -9.5684 -8.6911 -8.6905 -8.2088 -8.2081 2.3251 2.3306 2.4995 2.5101 2.6918 2.7067 2.8163 2.8402 2.9715 2.9841 3.8175 3.8442 5.1502 5.3200 5.3347 5.4989 5.7800 5.7902 6.0203 6.0325 6.8402 6.8688 7.2244 7.2446 7.5240 7.5561 7.8950 7.8960 8.0748 8.0788 8.2691 8.3252 9.3853 9.3936 9.4481 9.5050 11.6692 11.6848 11.9365 11.9437 12.2588 12.2614 12.4607 12.4669 k = 0.1695 0.0979-0.0000 ( 2569 PWs) bands (ev): -9.9351 -9.9348 -9.5449 -9.5433 -8.6996 -8.6989 -8.2263 -8.2256 2.3279 2.3335 2.5254 2.5382 2.7328 2.7487 2.8364 2.8643 3.0054 3.0203 3.8139 3.8453 5.0603 5.2346 5.2602 5.4255 5.7392 5.7497 5.9844 5.9970 6.8787 6.9097 7.2193 7.2426 7.5326 7.5682 7.9265 7.9297 8.1082 8.1124 8.2539 8.3119 9.3895 9.3904 9.4570 9.5084 11.6066 11.6226 11.9184 11.9265 12.2415 12.2464 12.4499 12.4553 k = 0.1780 0.1027-0.0000 ( 2561 PWs) bands (ev): -9.9062 -9.9059 -9.5191 -9.5174 -8.7081 -8.7074 -8.2442 -8.2434 2.3309 2.3367 2.5514 2.5668 2.7752 2.7920 2.8571 2.8895 3.0405 3.0582 3.8062 3.8430 4.9713 5.1385 5.2031 5.3574 5.7007 5.7115 5.9506 5.9635 6.9130 6.9466 7.2164 7.2422 7.5418 7.5804 7.9538 7.9604 8.1384 8.1427 8.2388 8.2977 9.3837 9.3896 9.4648 9.5111 11.5445 11.5606 11.9017 11.9107 12.2250 12.2322 12.4396 12.4442 k = 0.1864 0.1076-0.0000 ( 2555 PWs) bands (ev): -9.8764 -9.8761 -9.4927 -9.4909 -8.7167 -8.7160 -8.2624 -8.2615 2.3342 2.3401 2.5773 2.5957 2.8188 2.8364 2.8784 2.9156 3.0764 3.0978 3.7937 3.8369 4.8834 5.0424 5.1540 5.2957 5.6647 5.6755 5.9191 5.9322 6.9415 6.9772 7.2172 7.2444 7.5516 7.5931 7.9761 7.9879 8.1640 8.1686 8.2259 8.2838 9.3744 9.3858 9.4707 9.5129 11.4834 11.4993 11.8867 11.8964 12.2094 12.2189 12.4300 12.4336 k = 0.1949 0.1125-0.0000 ( 2563 PWs) bands (ev): -9.8459 -9.8455 -9.4658 -9.4639 -8.7254 -8.7246 -8.2808 -8.2799 2.3378 2.3439 2.6029 2.6246 2.8634 2.8813 2.9002 2.9424 3.1131 3.1390 3.7762 3.8271 4.7965 4.9472 5.1131 5.2417 5.6312 5.6420 5.8899 5.9032 6.9628 6.9992 7.2235 7.2499 7.5624 7.6064 7.9923 8.0122 8.1805 8.1878 8.2207 8.2726 9.3628 9.3782 9.4740 9.5135 11.4237 11.4394 11.8734 11.8837 12.1947 12.2065 12.4210 12.4238 k = 0.2034 0.1174-0.0000 ( 2557 PWs) bands (ev): -9.8146 -9.8142 -9.4384 -9.4364 -8.7341 -8.7332 -8.2993 -8.2984 2.3415 2.3479 2.6278 2.6533 2.9085 2.9183 2.9305 2.9699 3.1500 3.1819 3.7538 3.8139 4.7105 4.8534 5.0808 5.1963 5.6005 5.6111 5.8633 5.8767 6.9759 7.0110 7.2362 7.2589 7.5743 7.6203 8.0011 8.0329 8.1826 8.1958 8.2299 8.2688 9.3492 9.3670 9.4746 9.5124 11.3660 11.3812 11.8617 11.8726 12.1811 12.1952 12.4127 12.4147 k = 0.2119 0.1223-0.0000 ( 2557 PWs) bands (ev): -9.7827 -9.7823 -9.4107 -9.4085 -8.7426 -8.7418 -8.3179 -8.3169 2.3454 2.3522 2.6517 2.6815 2.9403 2.9537 2.9758 2.9980 3.1867 3.2264 3.7270 3.7981 4.6256 4.7613 5.0571 5.1599 5.5725 5.5829 5.8393 5.8528 6.9809 7.0130 7.2545 7.2708 7.5875 7.6349 8.0013 8.0497 8.1798 8.1906 8.2450 8.2747 9.3337 9.3525 9.4723 9.5095 11.3108 11.3253 11.8518 11.8631 12.1687 12.1850 12.4053 12.4065 k = 0.2203 0.1272-0.0000 ( 2553 PWs) bands (ev): -9.7503 -9.7499 -9.3827 -9.3804 -8.7511 -8.7501 -8.3365 -8.3355 2.3495 2.3567 2.6741 2.7087 2.9605 2.9980 3.0221 3.0270 3.2226 3.2726 3.6966 3.7812 4.5418 4.6716 5.0419 5.1327 5.5474 5.5575 5.8180 5.8317 6.9785 7.0070 7.2759 7.2845 7.6018 7.6501 7.9933 8.0622 8.1779 8.1790 8.2592 8.2855 9.3162 9.3348 9.4669 9.5044 11.2585 11.2721 11.8436 11.8553 12.1575 12.1758 12.3987 12.3991 k = 0.2288 0.1321-0.0000 ( 2553 PWs) bands (ev): -9.7175 -9.7171 -9.3546 -9.3521 -8.7593 -8.7583 -8.3550 -8.3539 2.3535 2.3612 2.6946 2.7343 2.9796 3.0389 3.0582 3.0679 3.2568 3.3204 3.6640 3.7657 4.4596 4.5848 5.0345 5.1143 5.5253 5.5350 5.7996 5.8134 6.9699 6.9951 7.2980 7.2983 7.6170 7.6657 7.9788 8.0695 8.1633 8.1805 8.2706 8.2963 9.2969 9.3141 9.4586 9.4972 11.2096 11.2221 11.8371 11.8490 12.1476 12.1679 12.3928 12.3931 k = 0.2373 0.1370-0.0000 ( 2553 PWs) bands (ev): -9.6844 -9.6839 -9.3265 -9.3239 -8.7673 -8.7662 -8.3733 -8.3721 2.3573 2.3657 2.7125 2.7576 2.9973 3.0728 3.0935 3.1123 3.2890 3.3696 3.6313 3.7543 4.3793 4.5015 5.0344 5.1042 5.5063 5.5154 5.7841 5.7980 6.9562 6.9788 7.3111 7.3190 7.6323 7.6810 7.9601 8.0706 8.1504 8.1832 8.2786 8.3051 9.2759 9.2906 9.4472 9.4875 11.1645 11.1758 11.8321 11.8442 12.1391 12.1611 12.3875 12.3885 k = 0.2458 0.1419-0.0000 ( 2553 PWs) bands (ev): -9.6512 -9.6507 -9.2985 -9.2958 -8.7749 -8.7738 -8.3913 -8.3900 2.3607 2.3699 2.7272 2.7776 3.0135 3.1015 3.1287 3.1546 3.3195 3.4202 3.6008 3.7502 4.3015 4.4225 5.0407 5.1015 5.4906 5.4990 5.7716 5.7857 6.9383 6.9592 7.3221 7.3377 7.6470 7.6950 7.9395 8.0650 8.1409 8.1858 8.2831 8.3112 9.2530 9.2644 9.4329 9.4754 11.1236 11.1335 11.8287 11.8407 12.1319 12.1554 12.3833 12.3850 k = 0.2542 0.1468-0.0000 ( 2551 PWs) bands (ev): -9.6178 -9.6173 -9.2708 -9.2680 -8.7821 -8.7810 -8.4088 -8.4075 2.3635 2.3736 2.7376 2.7931 3.0281 3.1275 3.1579 3.1933 3.3504 3.4714 3.5756 3.7557 4.2269 4.3487 5.0525 5.1052 5.4781 5.4858 5.7621 5.7764 6.9172 6.9370 7.3310 7.3535 7.6599 7.7065 7.9192 8.0542 8.1344 8.1872 8.2839 8.3141 9.2285 9.2357 9.4156 9.4609 11.0874 11.0956 11.8267 11.8385 12.1262 12.1510 12.3802 12.3826 k = 0.2627 0.1517-0.0000 ( 2551 PWs) bands (ev): -9.5846 -9.5841 -9.2436 -9.2406 -8.7888 -8.7876 -8.4259 -8.4245 2.3653 2.3766 2.7429 2.8025 3.0414 3.1499 3.1792 3.2270 3.3848 3.5207 3.5609 3.7715 4.1566 4.2813 5.0690 5.1143 5.4689 5.4757 5.7557 5.7702 6.8933 6.9128 7.3375 7.3661 7.6698 7.7134 7.9015 8.0406 8.1291 8.1871 8.2810 8.3136 9.2024 9.2047 9.3955 9.4438 11.0559 11.0624 11.8260 11.8374 12.1220 12.1478 12.3783 12.3812 k = 0.2712 0.1566-0.0000 ( 2547 PWs) bands (ev): -9.5516 -9.5511 -9.2169 -9.2138 -8.7949 -8.7937 -8.4423 -8.4408 2.3658 2.3784 2.7420 2.8041 3.0538 3.1645 3.1967 3.2546 3.4248 3.5413 3.5851 3.7959 4.0925 4.2220 5.0892 5.1278 5.4630 5.4689 5.7522 5.7672 6.8674 6.8869 7.3418 7.3753 7.6757 7.7140 7.8883 8.0263 8.1235 8.1849 8.2744 8.3097 9.1716 9.1748 9.3726 9.4243 11.0296 11.0342 11.8264 11.8372 12.1192 12.1458 12.3776 12.3810 k = 0.2797 0.1615-0.0000 ( 2551 PWs) bands (ev): -9.5190 -9.5185 -9.1910 -9.1878 -8.8004 -8.7991 -8.4580 -8.4564 2.3647 2.3787 2.7341 2.7967 3.0661 3.1681 3.2164 3.2757 3.4704 3.5452 3.6357 3.8237 4.0384 4.1727 5.1124 5.1448 5.4604 5.4652 5.7517 5.7673 6.8398 6.8600 7.3441 7.3812 7.6766 7.7071 7.8803 8.0127 8.1170 8.1807 8.2642 8.3023 9.1366 9.1459 9.3470 9.4023 11.0086 11.0113 11.8277 11.8377 12.1179 12.1448 12.3780 12.3819 k = 0.2881 0.1664-0.0000 ( 2557 PWs) bands (ev): -9.4870 -9.4864 -9.1660 -9.1627 -8.8050 -8.8038 -8.4727 -8.4710 2.3613 2.3771 2.7188 2.7799 3.0790 3.1653 3.2379 3.2915 3.5203 3.5544 3.6879 3.8435 4.0048 4.1359 5.1378 5.1644 5.4609 5.4648 5.7539 5.7704 6.8113 6.8324 7.3444 7.3838 7.6719 7.6935 7.8768 7.9999 8.1094 8.1743 8.2505 8.2915 9.1000 9.1158 9.3188 9.3779 10.9930 10.9937 11.8299 11.8389 12.1180 12.1450 12.3796 12.3839 k = 0.2966 0.1712-0.0000 ( 2551 PWs) bands (ev): -9.4557 -9.4551 -9.1422 -9.1387 -8.8088 -8.8075 -8.4864 -8.4847 2.3554 2.3730 2.6961 2.7547 3.0925 3.1608 3.2593 3.3038 3.5663 3.5728 3.7393 3.8382 4.0078 4.1145 5.1646 5.1858 5.4644 5.4676 5.7588 5.7765 6.7824 6.8047 7.3429 7.3830 7.6615 7.6752 7.8754 7.9879 8.1007 8.1658 8.2337 8.2774 9.0621 9.0847 9.2881 9.3512 10.9815 10.9829 11.8327 11.8404 12.1196 12.1462 12.3823 12.3868 k = 0.3051 0.1761-0.0000 ( 2551 PWs) bands (ev): -9.4254 -9.4248 -9.1196 -9.1161 -8.8115 -8.8103 -8.4989 -8.4971 2.3463 2.3659 2.6672 2.7226 3.1063 3.1570 3.2799 3.3142 3.5767 3.6264 3.7897 3.8124 4.0429 4.1106 5.1920 5.2081 5.4707 5.4734 5.7662 5.7855 6.7539 6.7777 7.3398 7.3788 7.6457 7.6542 7.8740 7.9761 8.0911 8.1552 8.2139 8.2601 9.0231 9.0526 9.2550 9.3223 10.9748 10.9782 11.8360 11.8422 12.1224 12.1484 12.3860 12.3908 k = 0.3136 0.1810-0.0000 ( 2551 PWs) bands (ev): -9.3961 -9.3956 -9.0986 -9.0949 -8.8132 -8.8119 -8.5101 -8.5082 2.3338 2.3552 2.6333 2.6857 3.1200 3.1546 3.2995 3.3239 3.5833 3.6766 3.7867 3.8394 4.0930 4.1243 5.2192 5.2306 5.4795 5.4822 5.7760 5.7973 6.7267 6.7520 7.3349 7.3710 7.6249 7.6322 7.8709 7.9638 8.0808 8.1426 8.1916 8.2399 8.9832 9.0199 9.2196 9.2911 10.9734 10.9787 11.8395 11.8441 12.1265 12.1516 12.3907 12.3957 k = 0.3220 0.1859-0.0000 ( 2551 PWs) bands (ev): -9.3682 -9.3677 -9.0792 -9.0755 -8.8136 -8.8124 -8.5198 -8.5178 2.3173 2.3406 2.5961 2.6458 3.1329 3.1536 3.3178 3.3332 3.5859 3.7046 3.7871 3.8895 4.1499 4.1533 5.2451 5.2523 5.4904 5.4938 5.7880 5.8117 6.7015 6.7286 7.3283 7.3596 7.5998 7.6100 7.8650 7.9505 8.0697 8.1279 8.1674 8.2168 8.9427 8.9866 9.1822 9.2580 10.9772 10.9843 11.8431 11.8458 12.1317 12.1555 12.3964 12.4014 k = 0.3305 0.1908-0.0000 ( 2551 PWs) bands (ev): -9.3419 -9.3413 -9.0617 -9.0580 -8.8126 -8.8115 -8.5279 -8.5258 2.2968 2.3216 2.5572 2.6045 3.1445 3.1537 3.3347 3.3422 3.5866 3.6974 3.8296 3.9412 4.1940 4.2102 5.2688 5.2724 5.5034 5.5081 5.8022 5.8288 6.6793 6.7081 7.3199 7.3444 7.5710 7.5884 7.8556 7.9359 8.0578 8.1104 8.1423 8.1911 8.9020 8.9529 9.1429 9.2230 10.9858 10.9947 11.8467 11.8474 12.1379 12.1603 12.4028 12.4078 k = 0.3390 0.1957-0.0000 ( 2551 PWs) bands (ev): -9.3172 -9.3167 -9.0461 -9.0425 -8.8102 -8.8093 -8.5343 -8.5322 2.2724 2.2981 2.5179 2.5628 3.1543 3.1544 3.3499 3.3509 3.5878 3.6833 3.8870 3.9948 4.2425 4.2723 5.2889 5.2897 5.5181 5.5251 5.8189 5.8484 6.6611 6.6915 7.3095 7.3256 7.5394 7.5678 7.8424 7.9197 8.0448 8.0890 8.1180 8.1632 8.8613 8.9190 9.1019 9.1864 10.9991 11.0097 11.8485 11.8499 12.1450 12.1657 12.4100 12.4149 k = 0.3475 0.2006-0.0000 ( 2551 PWs) bands (ev): -9.2944 -9.2939 -9.0326 -9.0292 -8.8064 -8.8056 -8.5390 -8.5367 2.2443 2.2703 2.4791 2.5215 3.1555 3.1621 3.3592 3.3633 3.5919 3.6735 3.9483 4.0504 4.2958 4.3351 5.3030 5.3043 5.5348 5.5448 5.8381 5.8708 6.6475 6.6795 7.2969 7.3034 7.5057 7.5481 7.8254 7.9020 8.0307 8.0629 8.0957 8.1335 8.8208 8.8850 9.0595 9.1483 11.0167 11.0287 11.8492 11.8527 12.1529 12.1717 12.4178 12.4225 k = 0.3559 0.2055-0.0000 ( 2555 PWs) bands (ev): -9.2735 -9.2731 -9.0213 -9.0180 -8.8010 -8.8004 -8.5418 -8.5396 2.2131 2.2387 2.4414 2.4809 3.1566 3.1679 3.3669 3.3746 3.6003 3.6704 4.0116 4.1079 4.3516 4.3977 5.3110 5.3138 5.5537 5.5669 5.8602 5.8957 6.6393 6.6724 7.2782 7.2816 7.4708 7.5291 7.8046 7.8829 8.0150 8.0331 8.0750 8.1023 8.7809 8.8512 9.0159 9.1089 11.0380 11.0514 11.8492 11.8548 12.1613 12.1781 12.4260 12.4306 k = 0.3644 0.2104-0.0000 ( 2547 PWs) bands (ev): -9.2547 -9.2543 -9.0120 -9.0089 -8.7942 -8.7937 -8.5430 -8.5407 2.1796 2.2042 2.4049 2.4414 3.1577 3.1718 3.3740 3.3839 3.6138 3.6744 4.0760 4.1670 4.4081 4.4591 5.3128 5.3166 5.5751 5.5913 5.8854 5.9234 6.6367 6.6705 7.2507 7.2632 7.4357 7.5106 7.7803 7.8625 7.9975 8.0011 8.0545 8.0704 8.7418 8.8177 8.9715 9.0684 11.0628 11.0774 11.8485 11.8562 12.1701 12.1850 12.4347 12.4389 k = 0.3729 0.2153-0.0000 ( 2543 PWs) bands (ev): -9.2380 -9.2376 -9.0049 -9.0020 -8.7859 -8.7856 -8.5425 -8.5403 2.1447 2.1679 2.3696 2.4030 3.1587 3.1741 3.3802 3.3913 3.6327 3.6854 4.1411 4.2273 4.4638 4.5183 5.3080 5.3125 5.5991 5.6178 5.9140 5.9535 6.6398 6.6735 7.2220 7.2413 7.4015 7.4921 7.7528 7.8407 7.9679 7.9776 8.0336 8.0385 8.7040 8.7847 8.9266 9.0272 11.0906 11.1063 11.8469 11.8566 12.1792 12.1921 12.4435 12.4475 k = 0.3814 0.2202-0.0000 ( 2539 PWs) bands (ev): -9.2233 -9.2230 -8.9997 -8.9970 -8.7764 -8.7762 -8.5407 -8.5385 2.1091 2.1306 2.3355 2.3658 3.1595 3.1751 3.3857 3.3969 3.6567 3.7029 4.2067 4.2884 4.5175 4.5743 5.2970 5.3019 5.6254 5.6459 5.9459 5.9860 6.6484 6.6810 7.1930 7.2157 7.3690 7.4730 7.7225 7.8175 7.9343 7.9546 8.0078 8.0119 8.6678 8.7524 8.8816 8.9855 11.1208 11.1374 11.8444 11.8560 12.1884 12.1995 12.4525 12.4561 k = 0.3898 0.2251-0.0000 ( 2537 PWs) bands (ev): -9.2106 -9.2103 -8.9962 -8.9938 -8.7657 -8.7657 -8.5376 -8.5356 2.0736 2.0933 2.3025 2.3299 3.1600 3.1752 3.3905 3.4012 3.6855 3.7262 4.2725 4.3501 4.5677 4.6255 5.2811 5.2857 5.6538 5.6751 5.9808 6.0205 6.6618 6.6917 7.1651 7.1866 7.3388 7.4530 7.6900 7.7931 7.9008 7.9280 7.9794 7.9893 8.6336 8.7210 8.8369 8.9436 11.1530 11.1705 11.8408 11.8542 12.1976 12.2068 12.4614 12.4647 k = 0.3983 0.2300-0.0000 ( 2537 PWs) bands (ev): -9.1996 -9.1993 -8.9943 -8.9922 -8.7543 -8.7543 -8.5337 -8.5318 2.0389 2.0568 2.2709 2.2954 3.1604 3.1746 3.3945 3.4044 3.7186 3.7546 4.3382 4.4118 4.6131 4.6704 5.2620 5.2656 5.6835 5.7050 6.0183 6.0565 6.6792 6.7044 7.1400 7.1552 7.3109 7.4316 7.6558 7.7672 7.8678 7.8980 7.9536 7.9657 8.6016 8.6908 8.7930 8.9018 11.1867 11.2049 11.8361 11.8511 12.2067 12.2142 12.4702 12.4732 k = 0.4068 0.2349-0.0000 ( 2533 PWs) bands (ev): -9.1903 -9.1900 -8.9937 -8.9918 -8.7423 -8.7422 -8.5291 -8.5273 2.0055 2.0217 2.2407 2.2625 3.1606 3.1736 3.3978 3.4067 3.7556 3.7873 4.4037 4.4729 4.6521 4.7067 5.2422 5.2432 5.7141 5.7352 6.0578 6.0936 6.6994 6.7170 7.1197 7.1229 7.2848 7.4083 7.6204 7.7400 7.8359 7.8660 7.9297 7.9409 8.5722 8.6621 8.7503 8.8603 11.2215 11.2403 11.8302 11.8466 12.2154 12.2214 12.4788 12.4814 k = 0.4153 0.2397-0.0000 ( 2533 PWs) bands (ev): -9.1824 -9.1822 -8.9942 -8.9924 -8.7300 -8.7299 -8.5241 -8.5225 1.9739 1.9884 2.2121 2.2315 3.1607 3.1723 3.4006 3.4084 3.7959 3.8239 4.4684 4.5325 4.6835 4.7322 5.2209 5.2240 5.7450 5.7649 6.0986 6.1313 6.7209 6.7277 7.0919 7.1062 7.2602 7.3828 7.5844 7.7114 7.8056 7.8336 7.9066 7.9153 8.5458 8.6350 8.7093 8.8196 11.2569 11.2762 11.8231 11.8406 12.2237 12.2284 12.4870 12.4893 k = 0.4237 0.2446-0.0000 ( 2541 PWs) bands (ev): -9.1758 -9.1756 -8.9954 -8.9938 -8.7178 -8.7177 -8.5190 -8.5175 1.9446 1.9574 2.1855 2.2026 3.1607 3.1709 3.4029 3.4096 3.8391 3.8637 4.5320 4.5885 4.7071 4.7448 5.2005 5.2100 5.7755 5.7940 6.1399 6.1690 6.7347 6.7419 7.0643 7.1013 7.2369 7.3548 7.5485 7.6816 7.7771 7.8019 7.8839 7.8889 8.5225 8.6100 8.6705 8.7800 11.2925 11.3122 11.8146 11.8331 12.2315 12.2350 12.4948 12.4968 k = 0.4322 0.2495-0.0000 ( 2537 PWs) bands (ev): -9.1703 -9.1701 -8.9971 -8.9958 -8.7059 -8.7058 -8.5139 -8.5126 1.9177 1.9290 2.1610 2.1759 3.1605 3.1694 3.4047 3.4105 3.8847 3.9062 4.5938 4.6348 4.7270 4.7439 5.1838 5.2011 5.8051 5.8217 6.1811 6.2060 6.7372 6.7602 7.0425 7.1058 7.2150 7.3246 7.5132 7.6507 7.7508 7.7717 7.8613 7.8623 8.5026 8.5873 8.6345 8.7418 11.3279 11.3477 11.8050 11.8242 12.2387 12.2412 12.5020 12.5037 k = 0.4407 0.2544-0.0000 ( 2537 PWs) bands (ev): -9.1657 -9.1655 -8.9992 -8.9980 -8.6946 -8.6945 -8.5092 -8.5080 1.8936 1.9034 2.1390 2.1518 3.1604 3.1680 3.4062 3.4110 3.9321 3.9507 4.6514 4.6578 4.7320 4.7561 5.1711 5.1970 5.8331 5.8477 6.2211 6.2418 6.7356 6.7733 7.0289 7.1190 7.1951 7.2924 7.4789 7.6189 7.7271 7.7438 7.8359 7.8389 8.4859 8.5671 8.6016 8.7055 11.3625 11.3823 11.7943 11.8137 12.2452 12.2470 12.5086 12.5100 k = 0.4492 0.2593-0.0000 ( 2541 PWs) bands (ev): -9.1620 -9.1618 -9.0014 -9.0004 -8.6842 -8.6841 -8.5048 -8.5038 1.8724 1.8808 2.1195 2.1303 3.1602 3.1666 3.4074 3.4114 3.9809 3.9967 4.6530 4.6827 4.7328 4.7992 5.1618 5.1954 5.8590 5.8715 6.2592 6.2756 6.7316 6.7795 7.0246 7.1387 7.1781 7.2595 7.4462 7.5865 7.7061 7.7187 7.8105 7.8169 8.4727 8.5495 8.5725 8.6715 11.3960 11.4154 11.7826 11.8020 12.2509 12.2521 12.5144 12.5156 k = 0.4576 0.2642-0.0000 ( 2543 PWs) bands (ev): -9.1590 -9.1588 -9.0036 -9.0027 -8.6750 -8.6749 -8.5010 -8.5002 1.8544 1.8613 2.1028 2.1118 3.1600 3.1652 3.4084 3.4115 4.0301 4.0432 4.6315 4.6586 4.7782 4.8467 5.1543 5.1938 5.8823 5.8926 6.2942 6.3066 6.7269 6.7786 7.0287 7.1608 7.1658 7.2284 7.4157 7.5537 7.6881 7.6969 7.7869 7.7956 8.4628 8.5334 8.5488 8.6401 11.4277 11.4465 11.7702 11.7891 12.2559 12.2566 12.5195 12.5204 k = 0.4661 0.2691-0.0000 ( 2536 PWs) bands (ev): -9.1566 -9.1564 -9.0055 -9.0048 -8.6671 -8.6670 -8.4977 -8.4971 1.8396 1.8451 2.0891 2.0962 3.1600 3.1640 3.4091 3.4116 4.0787 4.0893 4.6013 4.6212 4.8287 4.8923 5.1472 5.1900 5.9024 5.9105 6.3252 6.3340 6.7233 6.7724 7.0377 7.1601 7.1703 7.2120 7.3886 7.5208 7.6730 7.6786 7.7662 7.7759 8.4562 8.5160 8.5337 8.6117 11.4571 11.4745 11.7579 11.7755 12.2599 12.2603 12.5238 12.5245 k = 0.4746 0.2740-0.0000 ( 2538 PWs) bands (ev): -9.1548 -9.1547 -9.0071 -9.0066 -8.6608 -8.6607 -8.4952 -8.4947 1.8281 1.8323 2.0785 2.0838 3.1600 3.1630 3.4097 3.4115 4.1249 4.1329 4.5676 4.5813 4.8757 4.9322 5.1401 5.1825 5.9188 5.9248 6.3510 6.3568 6.7219 6.7632 7.0480 7.1501 7.1631 7.2239 7.3683 7.4881 7.6610 7.6641 7.7493 7.7584 8.4529 8.4984 8.5266 8.5868 11.4833 11.4984 11.7465 11.7618 12.2631 12.2633 12.5271 12.5276 k = 0.4831 0.2789-0.0000 ( 2534 PWs) bands (ev): -9.1535 -9.1534 -9.0083 -9.0080 -8.6561 -8.6561 -8.4933 -8.4930 1.8201 1.8228 2.0711 2.0746 3.1601 3.1621 3.4102 3.4114 4.1656 4.1710 4.5355 4.5441 4.9171 4.9622 5.1347 5.1711 5.9311 5.9350 6.3706 6.3740 6.7233 6.7530 7.0581 7.1244 7.1746 7.2335 7.3611 7.4557 7.6523 7.6537 7.7372 7.7443 8.4527 8.4831 8.5250 8.5658 11.5050 11.5166 11.7374 11.7491 12.2654 12.2655 12.5296 12.5299 k = 0.4915 0.2838-0.0000 ( 2530 PWs) bands (ev): -9.1527 -9.1527 -9.0090 -9.0089 -8.6533 -8.6533 -8.4921 -8.4920 1.8155 1.8169 2.0670 2.0687 3.1603 3.1613 3.4106 3.4112 4.1956 4.1983 4.5116 4.5157 4.9504 4.9766 5.1349 5.1569 5.9390 5.9409 6.3830 6.3845 6.7275 6.7430 7.0691 7.1016 7.1923 7.2282 7.3716 7.4242 7.6469 7.6474 7.7305 7.7344 8.4556 8.4708 8.5283 8.5488 11.5207 11.5271 11.7323 11.7388 12.2668 12.2668 12.5311 12.5313 k = 0.5000 0.2887-0.0000 ( 2526 PWs) bands (ev): -9.1524 -9.1524 -9.0092 -9.0092 -8.6523 -8.6523 -8.4917 -8.4917 1.8145 1.8145 2.0662 2.0662 3.1608 3.1608 3.4110 3.4110 4.2078 4.2078 4.5036 4.5036 4.9719 4.9719 5.1432 5.1432 5.9423 5.9423 6.3877 6.3877 6.7342 6.7342 7.0831 7.0831 7.2119 7.2119 7.3950 7.3950 7.6452 7.6452 7.7296 7.7296 8.4616 8.4616 8.5362 8.5362 11.5286 11.5286 11.7328 11.7328 12.2673 12.2673 12.5317 12.5317 k = 0.5000 0.2887-0.0000 ( 2526 PWs) bands (ev): -9.1524 -9.1524 -9.0092 -9.0092 -8.6523 -8.6523 -8.4917 -8.4917 1.8145 1.8145 2.0662 2.0662 3.1608 3.1608 3.4110 3.4110 4.2078 4.2078 4.5036 4.5036 4.9719 4.9719 5.1432 5.1432 5.9423 5.9423 6.3877 6.3877 6.7342 6.7342 7.0831 7.0831 7.2119 7.2119 7.3950 7.3950 7.6452 7.6452 7.7296 7.7296 8.4616 8.4616 8.5362 8.5362 11.5286 11.5286 11.7328 11.7328 12.2673 12.2673 12.5317 12.5317 k = 0.4951 0.2972-0.0000 ( 2526 PWs) bands (ev): -9.1520 -9.1519 -9.0089 -9.0087 -8.6526 -8.6525 -8.4921 -8.4920 1.8153 1.8167 2.0668 2.0686 3.1577 3.1634 3.4072 3.4130 4.2033 4.2135 4.5030 4.5069 4.9699 4.9736 5.1420 5.1451 5.9332 5.9374 6.3786 6.3836 6.7201 6.7484 7.0621 7.1045 7.1974 7.2298 7.3733 7.4084 7.6515 7.6518 7.7272 7.7365 8.4631 8.4641 8.5372 8.5388 11.5265 11.5315 11.7309 11.7336 12.2662 12.2664 12.5293 12.5296 k = 0.4902 0.3057-0.0000 ( 2526 PWs) bands (ev): -9.1506 -9.1503 -9.0079 -9.0075 -8.6532 -8.6531 -8.4931 -8.4931 1.8192 1.8220 2.0704 2.0740 3.1544 3.1658 3.4017 3.4133 4.2001 4.2205 4.5051 4.5128 4.9678 4.9751 5.1416 5.1477 5.9108 5.9188 6.3570 6.3664 6.7067 6.7616 7.0415 7.1245 7.1879 7.2501 7.3463 7.4131 7.6679 7.6715 7.7294 7.7472 8.4686 8.4705 8.5417 8.5448 11.5253 11.5353 11.7281 11.7335 12.2631 12.2637 12.5226 12.5233 k = 0.4853 0.3141-0.0000 ( 2530 PWs) bands (ev): -9.1482 -9.1478 -9.0061 -9.0055 -8.6542 -8.6540 -8.4950 -8.4949 1.8262 1.8304 2.0770 2.0824 3.1508 3.1677 3.3948 3.4119 4.1983 4.2287 4.5099 4.5211 4.9656 4.9763 5.1418 5.1509 5.8762 5.8874 6.3239 6.3370 6.6941 6.7726 7.0206 7.1376 7.1874 7.2717 7.3182 7.4117 7.6912 7.7018 7.7363 7.7614 8.4781 8.4806 8.5498 8.5541 11.5249 11.5401 11.7242 11.7324 12.2581 12.2592 12.5117 12.5126 k = 0.4804 0.3226-0.0000 ( 2534 PWs) bands (ev): -9.1449 -9.1444 -9.0036 -9.0029 -8.6556 -8.6554 -8.4975 -8.4975 1.8362 1.8418 2.0865 2.0937 3.1470 3.1692 3.3864 3.4088 4.1977 4.2380 4.5173 4.5317 4.9632 4.9772 5.1426 5.1547 5.8308 5.8446 6.2808 6.2968 6.6823 6.7805 6.9986 7.1362 7.2002 7.2935 7.2935 7.4076 7.7186 7.7382 7.7487 7.7788 8.4915 8.4943 8.5614 8.5668 11.5252 11.5457 11.7193 11.7305 12.2512 12.2529 12.4967 12.4978 k = 0.4755 0.3311-0.0000 ( 2542 PWs) bands (ev): -9.1406 -9.1400 -9.0004 -8.9994 -8.6574 -8.6572 -8.5007 -8.5007 1.8492 1.8562 2.0990 2.1080 3.1430 3.1704 3.3769 3.4042 4.1983 4.2482 4.5272 4.5442 4.9608 4.9778 5.1440 5.1590 5.7762 5.7921 6.2291 6.2473 6.6709 6.7847 6.9749 7.1218 7.2202 7.2766 7.3142 7.4033 7.7482 7.7618 7.7827 7.7991 8.5086 8.5115 8.5765 8.5825 11.5262 11.5523 11.7133 11.7276 12.2425 12.2451 12.4778 12.4789 k = 0.4706 0.3396-0.0000 ( 2538 PWs) bands (ev): -9.1354 -9.1346 -8.9964 -8.9953 -8.6596 -8.6593 -8.5046 -8.5046 1.8652 1.8736 2.1144 2.1253 3.1389 3.1711 3.3664 3.3982 4.2001 4.2594 4.5394 4.5584 4.9584 4.9779 5.1458 5.1636 5.7142 5.7315 6.1703 6.1903 6.6595 6.7851 6.9490 7.0973 7.2416 7.2700 7.3323 7.4004 7.7780 7.7815 7.8228 7.8272 8.5294 8.5319 8.5949 8.6013 11.5278 11.5597 11.7064 11.7240 12.2323 12.2360 12.4554 12.4564 k = 0.4657 0.3481-0.0000 ( 2534 PWs) bands (ev): -9.1293 -9.1284 -8.9918 -8.9905 -8.6622 -8.6617 -8.5092 -8.5092 1.8841 1.8940 2.1327 2.1454 3.1347 3.1715 3.3550 3.3910 4.2030 4.2712 4.5536 4.5740 4.9560 4.9776 5.1478 5.1683 5.6463 5.6648 6.1056 6.1273 6.6480 6.7822 6.9208 7.0650 7.2619 7.2721 7.3462 7.4002 7.8045 7.8063 7.8505 7.8733 8.5534 8.5551 8.6165 8.6228 11.5299 11.5679 11.6984 11.7196 12.2205 12.2257 12.4297 12.4303 k = 0.4608 0.3566-0.0000 ( 2538 PWs) bands (ev): -9.1223 -9.1212 -8.9865 -8.9850 -8.6650 -8.6645 -8.5145 -8.5144 1.9060 1.9172 2.1539 2.1684 3.1305 3.1715 3.3431 3.3827 4.2068 4.2837 4.5697 4.5906 4.9536 4.9768 5.1497 5.1726 5.5744 5.5934 6.0362 6.0596 6.6363 6.7762 6.8904 7.0275 7.2791 7.2810 7.3544 7.4033 7.8305 7.8326 7.8819 7.9202 8.5804 8.5809 8.6409 8.6468 11.5325 11.5769 11.6894 11.7145 12.2074 12.2144 12.4010 12.4011 k = 0.4559 0.3651-0.0000 ( 2534 PWs) bands (ev): -9.1145 -9.1132 -8.9806 -8.9790 -8.6682 -8.6677 -8.5203 -8.5203 1.9307 1.9434 2.1778 2.1943 3.1263 3.1712 3.3307 3.3736 4.2115 4.2964 4.5872 4.6080 4.9513 4.9755 5.1509 5.1753 5.5006 5.5193 5.9632 5.9885 6.6243 6.7679 6.8582 6.9870 7.2899 7.2966 7.3573 7.4088 7.8577 7.8591 7.9159 7.9671 8.6089 8.6097 8.6679 8.6731 11.5353 11.5865 11.6796 11.7088 12.1933 12.2025 12.3689 12.3699 k = 0.4510 0.3736-0.0000 ( 2536 PWs) bands (ev): -9.1058 -9.1045 -8.9742 -8.9723 -8.6717 -8.6711 -8.5268 -8.5267 1.9582 1.9723 2.2044 2.2228 3.1222 3.1706 3.3182 3.3638 4.2167 4.3093 4.6059 4.6255 4.9490 4.9734 5.1501 5.1743 5.4281 5.4449 5.8875 5.9151 6.6122 6.7578 6.8245 6.9446 7.3007 7.3100 7.3564 7.4145 7.8827 7.8901 7.9513 8.0136 8.6386 8.6408 8.6971 8.7014 11.5384 11.5966 11.6688 11.7027 12.1783 12.1901 12.3343 12.3365 k = 0.4461 0.3821-0.0000 ( 2530 PWs) bands (ev): -9.0964 -9.0949 -8.9672 -8.9651 -8.6755 -8.6748 -8.5339 -8.5338 1.9884 2.0040 2.2337 2.2541 3.1182 3.1697 3.3056 3.3536 4.2224 4.3219 4.6253 4.6428 4.9467 4.9706 5.1445 5.1642 5.3631 5.3739 5.8103 5.8406 6.6000 6.7463 6.7897 6.9010 7.3101 7.3213 7.3531 7.4188 7.9083 7.9230 7.9874 8.0593 8.6694 8.6732 8.7281 8.7312 11.5415 11.6070 11.6573 11.6963 12.1626 12.1776 12.2977 12.3014 k = 0.4412 0.3906-0.0000 ( 2538 PWs) bands (ev): -9.0862 -9.0846 -8.9597 -8.9575 -8.6796 -8.6788 -8.5414 -8.5413 2.0213 2.0383 2.2656 2.2879 3.1144 3.1686 3.2931 3.3432 4.2282 4.3339 4.6449 4.6591 4.9444 4.9669 5.1282 5.1351 5.3133 5.3164 5.7323 5.7661 6.5877 6.7336 6.7542 6.8568 7.3167 7.3306 7.3478 7.4209 7.9352 7.9575 8.0236 8.1041 8.7009 8.7060 8.7605 8.7623 11.5446 11.6173 11.6452 11.6898 12.1465 12.1650 12.2593 12.2649 k = 0.4363 0.3991-0.0000 ( 2546 PWs) bands (ev): -9.0753 -9.0736 -8.9518 -8.9494 -8.6839 -8.6830 -8.5495 -8.5494 2.0567 2.0751 2.2999 2.3242 3.1108 3.1672 3.2809 3.3326 4.2338 4.3450 4.6637 4.6732 4.9417 4.9619 5.0823 5.0935 5.2725 5.2939 5.6547 5.6928 6.5754 6.7183 6.7201 6.8122 7.3201 7.3379 7.3410 7.4206 7.9636 7.9932 8.0597 8.1478 8.7325 8.7386 8.7940 8.7943 11.5474 11.6270 11.6325 11.6839 12.1303 12.1527 12.2197 12.2275 k = 0.4314 0.4075-0.0000 ( 2542 PWs) bands (ev): -9.0638 -9.0620 -8.9435 -8.9409 -8.6883 -8.6874 -8.5581 -8.5580 2.0945 2.1144 2.3366 2.3630 3.1075 3.1657 3.2693 3.3222 4.2389 4.3545 4.6804 4.6830 4.9376 4.9551 5.0163 5.0416 5.2525 5.2876 5.5789 5.6222 6.5629 6.6823 6.7060 6.7674 7.3201 7.3326 7.3429 7.4178 7.9937 8.0300 8.0956 8.1902 8.7637 8.7705 8.8268 8.8282 11.5496 11.6197 11.6346 11.6799 12.1141 12.1409 12.1793 12.1896 k = 0.4265 0.4160-0.0000 ( 2540 PWs) bands (ev): -9.0518 -9.0498 -8.9349 -8.9321 -8.6930 -8.6920 -8.5671 -8.5669 2.1347 2.1560 2.3756 2.4040 3.1045 3.1641 3.2581 3.3120 4.2430 4.3617 4.6849 4.6914 4.9211 4.9439 4.9601 4.9873 5.2445 5.2874 5.5070 5.5559 6.5503 6.6466 6.6913 6.7227 7.3172 7.3228 7.3454 7.4127 8.0257 8.0675 8.1311 8.2314 8.7940 8.8012 8.8595 8.8625 11.5508 11.6071 11.6378 11.6799 12.0981 12.1297 12.1387 12.1516 k = 0.4216 0.4245-0.0000 ( 2542 PWs) bands (ev): -9.0392 -9.0370 -8.9261 -8.9230 -8.6978 -8.6967 -8.5765 -8.5763 2.1770 2.1998 2.4167 2.4471 3.1019 3.1624 3.2477 3.3021 4.2456 4.3658 4.6723 4.6882 4.8738 4.9174 4.9451 4.9549 5.2409 5.2863 5.4431 5.4962 6.5370 6.6118 6.6755 6.6789 7.3116 7.3116 7.3453 7.4056 8.0595 8.1055 8.1660 8.2712 8.8230 8.8303 8.8918 8.8965 11.5501 11.5959 11.6354 11.6849 12.0816 12.0992 12.1136 12.1197 k = 0.4167 0.4330-0.0000 ( 2534 PWs) bands (ev): -9.0261 -9.0238 -8.9170 -8.9137 -8.7027 -8.7014 -8.5862 -8.5860 2.2214 2.2456 2.4598 2.4922 3.0998 3.1606 3.2381 3.2928 4.2460 4.3655 4.6386 4.6563 4.8418 4.8876 4.9411 4.9425 5.2369 5.2742 5.3963 5.4459 6.5224 6.5788 6.6341 6.6606 7.2992 7.3036 7.3425 7.3966 8.0949 8.1437 8.2004 8.3097 8.8505 8.8576 8.9234 8.9295 11.5460 11.5875 11.6291 11.6932 12.0541 12.0721 12.0769 12.1100 k = 0.4118 0.4415-0.0000 ( 2534 PWs) bands (ev): -9.0126 -9.0102 -8.9078 -8.9044 -8.7077 -8.7063 -8.5962 -8.5960 2.2677 2.2933 2.5047 2.5389 3.0982 3.1588 3.2295 3.2841 4.2434 4.3593 4.5848 4.5951 4.8362 4.8702 4.9356 4.9384 5.2292 5.2422 5.3765 5.4080 6.5046 6.5496 6.5908 6.6444 7.2858 7.2935 7.3373 7.3859 8.1317 8.1818 8.2340 8.3469 8.8762 8.8830 8.9537 8.9610 11.5377 11.5828 11.6207 11.7027 12.0162 12.0410 12.0577 12.1015 k = 0.4069 0.4500-0.0000 ( 2534 PWs) bands (ev): -8.9988 -8.9963 -8.8986 -8.8949 -8.7126 -8.7112 -8.6065 -8.6063 2.3157 2.3426 2.5510 2.5871 3.0973 3.1572 3.2219 3.2761 4.2371 4.3451 4.5193 4.5194 4.8435 4.8595 4.9340 4.9353 5.1990 5.2161 5.3761 5.3842 6.4815 6.5264 6.5484 6.6279 7.2715 7.2817 7.3297 7.3739 8.1698 8.2197 8.2669 8.3828 8.8999 8.9062 8.9823 8.9907 11.5261 11.5812 11.6110 11.7123 11.9786 12.0065 12.0458 12.0941 k = 0.4020 0.4585-0.0000 ( 2532 PWs) bands (ev): -8.9848 -8.9822 -8.8894 -8.8856 -8.7176 -8.7160 -8.6170 -8.6168 2.3652 2.3933 2.5987 2.6363 3.0973 3.1557 3.2155 3.2689 4.2260 4.3199 4.4384 4.4506 4.8493 4.8547 4.9312 4.9388 5.1580 5.1991 5.3730 5.3835 6.4539 6.5071 6.5087 6.6109 7.2565 7.2684 7.3201 7.3606 8.2089 8.2570 8.2989 8.4175 8.9217 8.9273 9.0088 9.0180 11.5129 11.5810 11.6003 11.7214 11.9429 11.9738 12.0356 12.0876 k = 0.3971 0.4670-0.0000 ( 2532 PWs) bands (ev): -8.9706 -8.9678 -8.8804 -8.8763 -8.7225 -8.7208 -8.6276 -8.6274 2.4159 2.4451 2.6473 2.6861 3.0984 3.1546 3.2104 3.2627 4.2093 4.2799 4.3560 4.3855 4.8386 4.8655 4.9256 4.9490 5.1258 5.1814 5.3704 5.3937 6.4244 6.4674 6.4939 6.5934 7.2411 7.2541 7.3088 7.3464 8.2486 8.2934 8.3299 8.4508 8.9414 8.9461 9.0329 9.0426 11.4991 11.5816 11.5887 11.7295 11.9095 11.9430 12.0273 12.0821 k = 0.3922 0.4755-0.0000 ( 2532 PWs) bands (ev): -8.9563 -8.9535 -8.8715 -8.8672 -8.7273 -8.7254 -8.6383 -8.6380 2.4675 2.4977 2.6963 2.7356 3.1011 3.1540 3.2068 3.2575 4.1863 4.2236 4.2739 4.3274 4.8288 4.8736 4.9193 4.9626 5.1054 5.1655 5.3727 5.4048 6.3953 6.4297 6.4800 6.5755 7.2256 7.2390 7.2958 7.3315 8.2886 8.3287 8.3598 8.4828 8.9590 8.9627 9.0544 9.0642 11.4853 11.5762 11.5823 11.7363 11.8792 11.9144 12.0210 12.0775 k = 0.3873 0.4840-0.0000 ( 2532 PWs) bands (ev): -8.9421 -8.9391 -8.8630 -8.8585 -8.7319 -8.7299 -8.6490 -8.6487 2.5198 2.5506 2.7451 2.7841 3.1060 3.1544 3.2049 3.2534 4.1561 4.1566 4.1931 4.2731 4.8214 4.8767 4.9148 4.9778 5.0966 5.1527 5.3774 5.4156 6.3674 6.3943 6.4664 6.5570 7.2102 7.2234 7.2817 7.3160 8.3287 8.3625 8.3884 8.5135 8.9746 8.9770 9.0730 9.0827 11.4721 11.5629 11.5830 11.7416 11.8524 11.8883 12.0167 12.0737 k = 0.3824 0.4924-0.0000 ( 2524 PWs) bands (ev): -8.9280 -8.9249 -8.8548 -8.8502 -8.7363 -8.7341 -8.6596 -8.6593 2.5722 2.6035 2.7929 2.8300 3.1140 3.1561 3.2051 3.2506 4.0839 4.1136 4.1215 4.2180 4.8171 4.8751 4.9139 4.9931 5.0974 5.1435 5.3830 5.4253 6.3414 6.3618 6.4526 6.5381 7.1952 7.2077 7.2665 7.3004 8.3685 8.3945 8.4158 8.5426 8.9883 8.9891 9.0886 9.0978 11.4597 11.5487 11.5837 11.7452 11.8295 11.8648 12.0143 12.0706 k = 0.3775 0.5009-0.0000 ( 2524 PWs) bands (ev): -8.9142 -8.9109 -8.8472 -8.8424 -8.7403 -8.7380 -8.6701 -8.6698 2.6244 2.6556 2.8386 2.8717 3.1261 3.1601 3.2081 3.2491 4.0110 4.0380 4.0794 4.1606 4.8158 4.8724 4.9151 5.0072 5.1050 5.1383 5.3884 5.4331 6.3180 6.3328 6.4383 6.5188 7.1808 7.1921 7.2507 7.2847 8.4076 8.4244 8.4416 8.5700 8.9991 9.0003 9.1012 9.1094 11.4483 11.5337 11.5841 11.7469 11.8108 11.8439 12.0138 12.0681 k = 0.3725 0.5094-0.0000 ( 2520 PWs) bands (ev): -8.9008 -8.8973 -8.8403 -8.8353 -8.7440 -8.7415 -8.6803 -8.6800 2.6758 2.7063 2.8805 2.9070 3.1430 3.1673 3.2148 3.2493 3.9394 3.9652 4.0334 4.1010 4.8172 4.8716 4.9166 5.0182 5.1172 5.1379 5.3929 5.4385 6.2975 6.3078 6.4235 6.4991 7.1675 7.1772 7.2345 7.2693 8.4458 8.4520 8.4659 8.5954 9.0070 9.0108 9.1108 9.1176 11.4383 11.5183 11.5842 11.7466 11.7965 11.8258 12.0150 12.0659 k = 0.3676 0.5179-0.0000 ( 2518 PWs) bands (ev): -8.8880 -8.8843 -8.8340 -8.8290 -8.7471 -8.7445 -8.6901 -8.6898 2.7256 2.7547 2.9166 2.9348 3.1637 3.1792 3.2275 3.2512 3.8707 3.8964 3.9841 4.0400 4.8208 4.8741 4.9174 5.0248 5.1323 5.1430 5.3959 5.4410 6.2805 6.2874 6.4080 6.4792 7.1554 7.1631 7.2181 7.2543 8.4772 8.4824 8.4885 8.6184 9.0132 9.0202 9.1175 9.1224 11.4298 11.5028 11.5841 11.7446 11.7865 11.8105 12.0175 12.0641 k = 0.3627 0.5264-0.0000 ( 2518 PWs) bands (ev): -8.8759 -8.8720 -8.8286 -8.8237 -8.7497 -8.7470 -8.6994 -8.6991 2.7730 2.7996 2.9449 2.9549 3.1848 3.1968 3.2489 3.2552 3.8061 3.8326 3.9330 3.9790 4.8263 4.8799 4.9174 5.0264 5.1490 5.1534 5.3971 5.4401 6.2673 6.2720 6.3918 6.4592 7.1449 7.1503 7.2018 7.2402 8.4996 8.5082 8.5179 8.6383 9.0178 9.0290 9.1215 9.1238 11.4230 11.4875 11.5838 11.7414 11.7798 11.7980 12.0211 12.0624 k = 0.3578 0.5349-0.0000 ( 2520 PWs) bands (ev): -8.8649 -8.8607 -8.8242 -8.8194 -8.7515 -8.7489 -8.7080 -8.7078 2.8171 2.8398 2.9645 2.9688 3.2041 3.2199 3.2617 3.2788 3.7476 3.7749 3.8816 3.9189 4.8333 4.8884 4.9165 5.0234 5.1664 5.1679 5.3963 5.4358 6.2584 6.2618 6.3750 6.4394 7.1363 7.1391 7.1860 7.2272 8.5191 8.5263 8.5506 8.6546 9.0211 9.0374 9.1222 9.1230 11.4180 11.4729 11.5832 11.7381 11.7755 11.7880 12.0254 12.0607 k = 0.3529 0.5434-0.0000 ( 2520 PWs) bands (ev): -8.8551 -8.8506 -8.8208 -8.8165 -8.7524 -8.7500 -8.7158 -8.7156 2.8565 2.8738 2.9760 2.9784 3.2226 3.2460 3.2713 3.3119 3.6977 3.7253 3.8311 3.8612 4.8414 4.8977 4.9161 5.0168 5.1838 5.1845 5.3937 5.4281 6.2538 6.2569 6.3575 6.4202 7.1296 7.1299 7.1710 7.2155 8.5357 8.5417 8.5806 8.6665 9.0235 9.0462 9.1178 9.1223 11.4149 11.4595 11.5825 11.7354 11.7725 11.7804 12.0302 12.0588 k = 0.3480 0.5519-0.0000 ( 2530 PWs) bands (ev): -8.8470 -8.8420 -8.8184 -8.8149 -8.7523 -8.7503 -8.7224 -8.7223 2.8898 2.9005 2.9808 2.9853 3.2416 3.2695 3.2854 3.3407 3.6613 3.6865 3.7829 3.8072 4.8504 4.9017 4.9215 5.0074 5.2002 5.2015 5.3897 5.4176 6.2538 6.2569 6.3397 6.4021 7.1230 7.1253 7.1570 7.2057 8.5491 8.5541 8.6074 8.6736 9.0255 9.0555 9.1111 9.1199 11.4137 11.4474 11.5817 11.7336 11.7704 11.7749 12.0350 12.0567 k = 0.3431 0.5604-0.0000 ( 2530 PWs) bands (ev): -8.8407 -8.8352 -8.8172 -8.8147 -8.7514 -8.7499 -8.7278 -8.7277 2.9154 2.9192 2.9814 2.9907 3.2609 3.2849 3.3046 3.3567 3.6446 3.6620 3.7385 3.7586 4.8602 4.8980 4.9344 4.9956 5.2145 5.2168 5.3858 5.4057 6.2581 6.2606 6.3218 6.3862 7.1187 7.1233 7.1445 7.1980 8.5593 8.5631 8.6304 8.6755 9.0272 9.0657 9.1027 9.1162 11.4145 11.4370 11.5810 11.7327 11.7689 11.7713 12.0398 12.0543 k = 0.3382 0.5689-0.0000 ( 2514 PWs) bands (ev): -8.8367 -8.8306 -8.8166 -8.8155 -8.7499 -8.7491 -8.7314 -8.7314 2.9302 2.9310 2.9802 2.9945 3.2784 3.2925 3.3236 3.3554 3.6512 3.6546 3.6995 3.7182 4.8705 4.8907 4.9500 4.9819 5.2248 5.2279 5.3838 5.3943 6.2657 6.2663 6.3049 6.3744 7.1171 7.1238 7.1339 7.1930 8.5660 8.5682 8.6491 8.6719 9.0287 9.0763 9.0936 9.1120 11.4172 11.4285 11.5805 11.7324 11.7681 11.7692 12.0442 12.0515 k = 0.3333 0.5774-0.0000 ( 2514 PWs) bands (ev): -8.8353 -8.8288 -8.8164 -8.8164 -8.7488 -8.7488 -8.7328 -8.7328 2.9348 2.9348 2.9798 2.9961 3.2903 3.2903 3.3413 3.3413 3.6620 3.6706 3.6706 3.6949 4.8811 4.8811 4.9663 4.9663 5.2288 5.2321 5.3863 5.3863 6.2707 6.2707 6.2952 6.3697 7.1174 7.1267 7.1267 7.1912 8.5692 8.5692 8.6631 8.6631 9.0295 9.0855 9.0855 9.1095 11.4219 11.4219 11.5803 11.7324 11.7682 11.7682 12.0481 12.0481 k = 0.3333 0.5774-0.0000 ( 2514 PWs) bands (ev): -8.8353 -8.8288 -8.8164 -8.8164 -8.7488 -8.7488 -8.7328 -8.7328 2.9348 2.9348 2.9798 2.9961 3.2903 3.2903 3.3413 3.3413 3.6620 3.6706 3.6706 3.6949 4.8811 4.8811 4.9663 4.9663 5.2288 5.2321 5.3863 5.3863 6.2707 6.2707 6.2952 6.3697 7.1174 7.1267 7.1267 7.1912 8.5692 8.5692 8.6631 8.6631 9.0295 9.0855 9.0855 9.1095 11.4219 11.4219 11.5803 11.7324 11.7682 11.7682 12.0481 12.0481 k = 0.3284 0.5689-0.0000 ( 2514 PWs) bands (ev): -8.8366 -8.8306 -8.8161 -8.8158 -8.7500 -8.7493 -8.7315 -8.7314 2.9284 2.9346 2.9792 2.9942 3.2792 3.2898 3.3256 3.3573 3.6442 3.6632 3.6906 3.7230 4.8693 4.8918 4.9492 4.9825 5.2243 5.2277 5.3842 5.3948 6.2603 6.2706 6.3053 6.3751 7.1152 7.1280 7.1317 7.1932 8.5655 8.5685 8.6493 8.6718 9.0281 9.0807 9.0881 9.1140 11.4173 11.4284 11.5805 11.7323 11.7680 11.7692 12.0442 12.0514 k = 0.3235 0.5604-0.0000 ( 2526 PWs) bands (ev): -8.8401 -8.8348 -8.8151 -8.8149 -8.7527 -8.7513 -8.7282 -8.7280 2.9158 2.9309 2.9756 2.9882 3.2628 3.2731 3.3163 3.3696 3.6329 3.6588 3.7247 3.7674 4.8555 4.9019 4.9311 4.9978 5.2109 5.2152 5.3889 5.4088 6.2447 6.2658 6.3253 6.3909 7.1121 7.1366 7.1389 7.1995 8.5572 8.5637 8.6314 8.6750 9.0233 9.0812 9.0843 9.1252 11.4146 11.4366 11.5812 11.7316 11.7683 11.7714 12.0397 12.0539 k = 0.3186 0.5519-0.0000 ( 2526 PWs) bands (ev): -8.8449 -8.8404 -8.8140 -8.8137 -8.7563 -8.7543 -8.7240 -8.7236 2.8995 2.9244 2.9675 2.9779 3.2444 3.2496 3.3079 3.3767 3.6334 3.6657 3.7644 3.8151 4.8396 4.9044 4.9190 5.0114 5.1905 5.1964 5.3990 5.4267 6.2295 6.2587 6.3498 6.4145 7.1116 7.1481 7.1498 7.2106 8.5440 8.5543 8.6103 8.6727 9.0158 9.0785 9.0868 9.1387 11.4139 11.4464 11.5825 11.7302 11.7688 11.7749 12.0347 12.0556 k = 0.3137 0.5434-0.0000 ( 2522 PWs) bands (ev): -8.8506 -8.8466 -8.8129 -8.8124 -8.7607 -8.7581 -8.7196 -8.7191 2.8811 2.9158 2.9553 2.9637 3.2247 3.2258 3.2990 3.3791 3.6442 3.6812 3.8068 3.8632 4.8219 4.8861 4.9260 5.0225 5.1657 5.1729 5.4126 5.4465 6.2158 6.2517 6.3777 6.4436 7.1143 7.1597 7.1672 7.2264 8.5261 8.5395 8.5874 8.6648 9.0074 9.0724 9.0958 9.1526 11.4150 11.4576 11.5844 11.7278 11.7691 11.7795 12.0290 12.0563 k = 0.3088 0.5349-0.0000 ( 2526 PWs) bands (ev): -8.8568 -8.8532 -8.8118 -8.8109 -8.7659 -8.7626 -8.7156 -8.7149 2.8613 2.9052 2.9396 2.9466 3.1997 3.2078 3.2913 3.3788 3.6625 3.7018 3.8500 3.9104 4.8026 4.8639 4.9350 5.0301 5.1384 5.1463 5.4282 5.4671 6.2044 6.2463 6.4085 6.4766 7.1208 7.1740 7.1887 7.2468 8.5039 8.5183 8.5643 8.6516 8.9995 9.0663 9.1068 9.1662 11.4178 11.4700 11.5870 11.7245 11.7690 11.7850 12.0229 12.0562 k = 0.3039 0.5264-0.0000 ( 2530 PWs) bands (ev): -8.8633 -8.8599 -8.8109 -8.8092 -8.7720 -8.7678 -8.7121 -8.7113 2.8409 2.8932 2.9216 2.9275 3.1749 3.1906 3.2863 3.3777 3.6851 3.7249 3.8926 3.9555 4.7819 4.8406 4.9434 5.0329 5.1107 5.1173 5.4449 5.4875 6.1959 6.2435 6.4420 6.5126 7.1314 7.1914 7.2142 7.2715 8.4778 8.4908 8.5418 8.6334 8.9927 9.0606 9.1188 9.1793 11.4222 11.4832 11.5904 11.7201 11.7682 11.7914 12.0164 12.0551 k = 0.2990 0.5179-0.0000 ( 2530 PWs) bands (ev): -8.8698 -8.8667 -8.8102 -8.8072 -8.7791 -8.7735 -8.7093 -8.7084 2.8206 2.8801 2.9024 2.9075 3.1507 3.1741 3.2844 3.3773 3.7097 3.7485 3.9336 3.9980 4.7600 4.8165 4.9505 5.0288 5.0850 5.0866 5.4623 5.5070 6.1909 6.2437 6.4778 6.5509 7.1466 7.2125 7.2436 7.3001 8.4482 8.4582 8.5192 8.6109 8.9871 9.0552 9.1312 9.1916 11.4279 11.4968 11.5947 11.7147 11.7663 11.7983 12.0096 12.0532 k = 0.2941 0.5094-0.0000 ( 2534 PWs) bands (ev): -8.8764 -8.8734 -8.8101 -8.8052 -8.7869 -8.7792 -8.7073 -8.7065 2.8007 2.8666 2.8828 2.8874 3.1275 3.1581 3.2852 3.3782 3.7345 3.7712 3.9722 4.0370 4.7374 4.7920 4.9559 5.0151 5.0548 5.0643 5.4799 5.5254 6.1896 6.2474 6.5157 6.5911 7.1666 7.2375 7.2767 7.3321 8.4157 8.4221 8.4959 8.5847 8.9827 9.0500 9.1435 9.2028 11.4349 11.5104 11.6003 11.7082 11.7631 11.8058 12.0027 12.0505 k = 0.2892 0.5009-0.0000 ( 2530 PWs) bands (ev): -8.8829 -8.8800 -8.8117 -8.8041 -8.7944 -8.7840 -8.7063 -8.7055 2.7818 2.8530 2.8640 2.8681 3.1056 3.1424 3.2883 3.3806 3.7584 3.7921 4.0076 4.0721 4.7145 4.7672 4.9592 4.9924 5.0224 5.0483 5.4975 5.5424 6.1925 6.2547 6.5554 6.6327 7.1916 7.2668 7.3131 7.3673 8.3809 8.3836 8.4717 8.5557 8.9792 9.0451 9.1552 9.2130 11.4430 11.5234 11.6075 11.7004 11.7585 11.8135 11.9958 12.0470 k = 0.2843 0.4924-0.0000 ( 2534 PWs) bands (ev): -8.8895 -8.8867 -8.8162 -8.8091 -8.7965 -8.7866 -8.7062 -8.7054 2.7640 2.8397 2.8464 2.8502 3.0849 3.1269 3.2930 3.3844 3.7806 3.8107 4.0393 4.1027 4.6915 4.7424 4.9601 4.9656 4.9900 5.0327 5.5148 5.5580 6.1997 6.2656 6.5969 6.6754 7.2217 7.3002 7.3527 7.4051 8.3435 8.3442 8.4467 8.5245 8.9761 9.0403 9.1661 9.2220 11.4519 11.5351 11.6165 11.6914 11.7521 11.8215 11.9893 12.0429 k = 0.2794 0.4840-0.0000 ( 2536 PWs) bands (ev): -8.8963 -8.8935 -8.8236 -8.8191 -8.7942 -8.7867 -8.7070 -8.7063 2.7476 2.8263 2.8309 2.8350 3.0654 3.1116 3.2991 3.3893 3.8007 3.8268 4.0665 4.1284 4.6689 4.7177 4.9377 4.9533 4.9630 5.0151 5.5316 5.5722 6.2111 6.2799 6.6398 6.7189 7.2571 7.3380 7.3948 7.4451 8.3023 8.3061 8.4214 8.4921 8.9733 9.0355 9.1761 9.2299 11.4617 11.5449 11.6276 11.6809 11.7441 11.8295 11.9831 12.0384 k = 0.2745 0.4755-0.0000 ( 2538 PWs) bands (ev): -8.9034 -8.9008 -8.8329 -8.8303 -8.7910 -8.7854 -8.7087 -8.7080 2.7327 2.8124 2.8177 2.8236 3.0469 3.0962 3.3060 3.3953 3.8183 3.8401 4.0887 4.1488 4.6469 4.6934 4.9102 4.9236 4.9569 4.9949 5.5477 5.5852 6.2266 6.2975 6.6840 6.7630 7.2976 7.3799 7.4390 7.4868 8.2605 8.2672 8.3962 8.4591 8.9705 9.0306 9.1849 9.2365 11.4722 11.5527 11.6406 11.6690 11.7343 11.8375 11.9776 12.0335 k = 0.2696 0.4670-0.0000 ( 2542 PWs) bands (ev): -8.9114 -8.9089 -8.8431 -8.8419 -8.7878 -8.7834 -8.7109 -8.7102 2.7195 2.7992 2.8071 2.8154 3.0293 3.0808 3.3135 3.4019 3.8333 3.8507 4.1054 4.1636 4.6260 4.6693 4.8839 4.8925 4.9510 4.9723 5.5627 5.5970 6.2459 6.3182 6.7293 6.8074 7.3429 7.4256 7.4846 7.5293 8.2186 8.2279 8.3720 8.4264 8.9674 9.0254 9.1925 9.2420 11.4832 11.5582 11.6553 11.6555 11.7232 11.8454 11.9728 12.0285 k = 0.2647 0.4585-0.0000 ( 2542 PWs) bands (ev): -8.9206 -8.9184 -8.8533 -8.8531 -8.7850 -8.7816 -8.7134 -8.7126 2.7081 2.7875 2.7994 2.8096 3.0124 3.0654 3.3213 3.4090 3.8456 3.8584 4.1160 4.1726 4.6062 4.6456 4.8593 4.8623 4.9433 4.9479 5.5764 5.6078 6.2689 6.3418 6.7755 6.8520 7.3926 7.4747 7.5309 7.5721 8.1770 8.1889 8.3494 8.3948 8.9640 9.0201 9.1988 9.2463 11.4948 11.5613 11.6404 11.6708 11.7114 11.8531 11.9687 12.0235 k = 0.2598 0.4500-0.0000 ( 2538 PWs) bands (ev): -8.9318 -8.9299 -8.8634 -8.8624 -8.7832 -8.7807 -8.7155 -8.7146 2.6985 2.7778 2.7945 2.8060 2.9965 3.0501 3.3292 3.4162 3.8551 3.8635 4.1205 4.1757 4.5877 4.6223 4.8336 4.8365 4.9224 4.9341 5.5885 5.6174 6.2953 6.3680 6.8224 6.8966 7.4460 7.5266 7.5770 7.6142 8.1363 8.1506 8.3294 8.3653 8.9600 9.0145 9.2039 9.2495 11.5068 11.5616 11.6237 11.6855 11.7011 11.8603 11.9653 12.0188 k = 0.2549 0.4415-0.0000 ( 2538 PWs) bands (ev): -8.9456 -8.9440 -8.8720 -8.8700 -8.7832 -8.7817 -8.7164 -8.7153 2.6906 2.7702 2.7923 2.8043 2.9816 3.0349 3.3369 3.4233 3.8618 3.8660 4.1185 4.1730 4.5706 4.5992 4.8067 4.8155 4.8969 4.9236 5.5990 5.6258 6.3248 6.3968 6.8698 6.9412 7.5023 7.5801 7.6218 7.6548 8.0974 8.1139 8.3129 8.3390 8.9556 9.0086 9.2076 9.2517 11.5193 11.5584 11.6054 11.6854 11.7069 11.8671 11.9628 12.0143 k = 0.2500 0.4330-0.0000 ( 2546 PWs) bands (ev): -8.9620 -8.9608 -8.8789 -8.8759 -8.7857 -8.7853 -8.7153 -8.7139 2.6846 2.7647 2.7926 2.8040 2.9682 3.0202 3.3441 3.4300 3.8660 3.8660 4.1105 4.1648 4.5546 4.5761 4.7822 4.7962 4.8723 4.9123 5.6075 5.6329 6.3572 6.4278 6.9174 6.9854 7.5603 7.6334 7.6640 7.6930 8.0613 8.0798 8.3012 8.3170 8.9506 9.0024 9.2101 9.2530 11.5321 11.5509 11.5858 11.6779 11.7225 11.8732 11.9609 12.0105 k = 0.2451 0.4245-0.0000 ( 2542 PWs) bands (ev): -8.9811 -8.9800 -8.8842 -8.8802 -8.7919 -8.7911 -8.7119 -8.7102 2.6802 2.7611 2.7952 2.8045 2.9570 3.0062 3.3508 3.4360 3.8637 3.8677 4.0966 4.1514 4.5395 4.5529 4.7604 4.7783 4.8497 4.9005 5.6140 5.6384 6.3923 6.4610 6.9649 7.0293 7.6179 7.6831 7.7018 7.7285 8.0303 8.0500 8.2951 8.3007 8.9451 8.9962 9.2113 9.2534 11.5385 11.5445 11.5657 11.6731 11.7384 11.8786 11.9597 12.0073 k = 0.2402 0.4160-0.0000 ( 2542 PWs) bands (ev): -9.0024 -9.0015 -8.8883 -8.8833 -8.8012 -8.7992 -8.7061 -8.7043 2.6772 2.7586 2.7995 2.8053 2.9488 2.9935 3.3566 3.4411 3.8591 3.8669 4.0776 4.1334 4.5250 4.5293 4.7417 4.7619 4.8298 4.8887 5.6183 5.6422 6.4300 6.4962 7.0121 7.0726 7.6724 7.7237 7.7338 7.7610 8.0087 8.0272 8.2913 8.2957 8.9392 8.9899 9.2114 9.2531 11.5215 11.5397 11.5620 11.6719 11.7537 11.8831 11.9592 12.0049 k = 0.2353 0.4075-0.0000 ( 2538 PWs) bands (ev): -9.0257 -9.0248 -8.8916 -8.8853 -8.8127 -8.8093 -8.6985 -8.6966 2.6753 2.7564 2.8050 2.8063 2.9446 2.9826 3.3613 3.4449 3.8524 3.8639 4.0539 4.1115 4.5053 4.5108 4.7265 4.7471 4.8130 4.8770 5.6204 5.6441 6.4701 6.5333 7.0586 7.1150 7.7184 7.7513 7.7585 7.7855 8.0043 8.0162 8.2900 8.3033 8.9331 8.9837 9.2103 9.2523 11.5008 11.5174 11.5756 11.6740 11.7682 11.8866 11.9595 12.0034 k = 0.2304 0.3991-0.0000 ( 2534 PWs) bands (ev): -9.0506 -9.0498 -8.8948 -8.8869 -8.8258 -8.8207 -8.6894 -8.6874 2.6740 2.7526 2.8082 2.8112 2.9450 2.9743 3.3649 3.4472 3.8435 3.8588 4.0264 4.0862 4.4808 4.4967 4.7150 4.7346 4.7992 4.8659 5.6203 5.6440 6.5124 6.5723 7.1042 7.1562 7.7474 7.7679 7.7774 7.7923 8.0229 8.0243 8.2973 8.3175 8.9270 8.9781 9.2083 9.2510 11.4774 11.4934 11.5907 11.6788 11.7816 11.8892 11.9606 12.0029 k = 0.2255 0.3906-0.0000 ( 2534 PWs) bands (ev): -9.0771 -9.0763 -8.8987 -8.8886 -8.8397 -8.8324 -8.6790 -8.6771 2.6726 2.7457 2.8122 2.8175 2.9498 2.9694 3.3673 3.4478 3.8326 3.8516 3.9957 4.0584 4.4560 4.4825 4.7072 4.7254 4.7880 4.8556 5.6179 5.6418 6.5568 6.6130 7.1485 7.1959 7.7543 7.7760 7.7825 7.7922 8.0505 8.0649 8.3126 8.3373 8.9212 8.9732 9.2054 9.2496 11.4523 11.4689 11.6066 11.6857 11.7938 11.8908 11.9624 12.0034 k = 0.2206 0.3821-0.0000 ( 2534 PWs) bands (ev): -9.1049 -9.1041 -8.9045 -8.8921 -8.8527 -8.8430 -8.6675 -8.6656 2.6705 2.7350 2.8191 2.8234 2.9584 2.9686 3.3683 3.4467 3.8196 3.8423 3.9625 4.0286 4.4315 4.4685 4.7032 4.7201 4.7791 4.8465 5.6133 5.6375 6.6030 6.6553 7.1909 7.2336 7.7468 7.7623 7.7794 7.7998 8.0947 8.1168 8.3345 8.3611 8.9161 8.9697 9.2019 9.2482 11.4263 11.4442 11.6234 11.6943 11.8048 11.8916 11.9653 12.0047 k = 0.2157 0.3736-0.0000 ( 2530 PWs) bands (ev): -9.1339 -9.1331 -8.9137 -8.9004 -8.8617 -8.8509 -8.6551 -8.6533 2.6668 2.7209 2.8287 2.8291 2.9696 2.9719 3.3681 3.4437 3.8046 3.8308 3.9276 3.9974 4.4076 4.4552 4.7027 4.7189 4.7722 4.8389 5.6064 5.6311 6.6509 6.6990 7.2312 7.2688 7.7324 7.7399 7.7773 7.8006 8.1484 8.1729 8.3611 8.3872 8.9121 8.9679 9.1979 9.2472 11.4002 11.4197 11.6410 11.7045 11.8145 11.8915 11.9691 12.0068 k = 0.2108 0.3651-0.0000 ( 2526 PWs) bands (ev): -9.1639 -9.1632 -8.9271 -8.9150 -8.8649 -8.8553 -8.6419 -8.6402 2.6609 2.7043 2.8348 2.8406 2.9788 2.9822 3.3668 3.4388 3.7875 3.8169 3.8917 3.9653 4.3850 4.4432 4.7056 4.7218 4.7675 4.8333 5.5974 5.6227 6.7003 6.7440 7.2687 7.3009 7.7157 7.7172 7.7720 7.7967 8.2061 8.2294 8.3902 8.4138 8.9101 8.9687 9.1938 9.2467 11.3745 11.3959 11.6595 11.7160 11.8230 11.8909 11.9739 12.0097 k = 0.2059 0.3566-0.0000 ( 2532 PWs) bands (ev): -9.1950 -9.1942 -8.9443 -8.9341 -8.8644 -8.8566 -8.6280 -8.6263 2.6524 2.6859 2.8410 2.8538 2.9884 2.9952 3.3645 3.4321 3.7685 3.7996 3.8565 3.9329 4.3644 4.4331 4.7116 4.7285 4.7655 4.8302 5.5865 5.6126 6.7508 6.7901 7.3029 7.3293 7.6960 7.6992 7.7644 7.7898 8.2639 8.2836 8.4200 8.4393 8.9106 8.9727 9.1898 9.2472 11.3497 11.3731 11.6790 11.7285 11.8305 11.8898 11.9798 12.0133 k = 0.2010 0.3481-0.0000 ( 2532 PWs) bands (ev): -9.2269 -9.2261 -8.9643 -8.9557 -8.8619 -8.8556 -8.6133 -8.6117 2.6415 2.6665 2.8478 2.8676 2.9995 3.0075 3.3615 3.4239 3.7478 3.7769 3.8245 3.9004 4.3465 4.4257 4.7205 4.7382 4.7667 4.8300 5.5738 5.6009 6.8024 6.8371 7.3331 7.3534 7.6772 7.6843 7.7552 7.7810 8.3189 8.3335 8.4492 8.4630 8.9145 8.9806 9.1863 9.2491 11.3264 11.3516 11.6993 11.7418 11.8374 11.8884 11.9867 12.0174 k = 0.1961 0.3396-0.0000 ( 2532 PWs) bands (ev): -9.2595 -9.2588 -8.9864 -8.9790 -8.8582 -8.8530 -8.5980 -8.5964 2.6283 2.6464 2.8548 2.8810 3.0110 3.0181 3.3580 3.4141 3.7254 3.7471 3.7984 3.8684 4.3321 4.4214 4.7319 4.7496 4.7727 4.8332 5.5596 5.5880 6.8546 6.8848 7.3586 7.3727 7.6617 7.6721 7.7449 7.7712 8.3681 8.3767 8.4775 8.4846 8.9226 8.9929 9.1837 9.2526 11.3051 11.3320 11.7205 11.7555 11.8443 11.8870 11.9945 12.0221 k = 0.1912 0.3311-0.0000 ( 2537 PWs) bands (ev): -9.2929 -9.2922 -9.0101 -9.0036 -8.8536 -8.8493 -8.5821 -8.5806 2.6135 2.6260 2.8615 2.8933 3.0218 3.0264 3.3541 3.4030 3.7018 3.7115 3.7773 3.8373 4.3220 4.4208 4.7457 4.7615 4.7848 4.8401 5.5442 5.5743 6.9072 6.9330 7.3789 7.3870 7.6499 7.6628 7.7337 7.7608 8.4084 8.4111 8.5047 8.5055 8.9355 9.0100 9.1826 9.2580 11.2862 11.3147 11.7423 11.7687 11.8520 11.8858 12.0032 12.0274 k = 0.1863 0.3226-0.0000 ( 2539 PWs) bands (ev): -9.3268 -9.3261 -9.0351 -9.0293 -8.8483 -8.8446 -8.5657 -8.5642 2.5974 2.6055 2.8669 2.9032 3.0312 3.0317 3.3496 3.3904 3.6734 3.6770 3.7593 3.8076 4.3171 4.4243 4.7615 4.7742 4.8027 4.8509 5.5280 5.5603 6.9599 6.9811 7.3934 7.3962 7.6419 7.6561 7.7220 7.7504 8.4347 8.4373 8.5240 8.5340 8.9537 9.0318 9.1834 9.2655 11.2702 11.3000 11.7646 11.7808 11.8616 11.8853 12.0127 12.0332 k = 0.1814 0.3141-0.0000 ( 2535 PWs) bands (ev): -9.3612 -9.3606 -9.0610 -9.0558 -8.8424 -8.8393 -8.5487 -8.5473 2.5805 2.5851 2.8703 2.9097 3.0339 3.0383 3.3441 3.3762 3.6345 3.6512 3.7437 3.7804 4.3182 4.4325 4.7791 4.7895 4.8248 4.8659 5.5114 5.5466 7.0122 7.0291 7.4010 7.4024 7.6373 7.6509 7.7099 7.7402 8.4476 8.4547 8.5423 8.5617 8.9769 9.0580 9.1865 9.2753 11.2575 11.2882 11.7866 11.7907 11.8741 11.8861 12.0229 12.0397 k = 0.1765 0.3057-0.0000 ( 2539 PWs) bands (ev): -9.3961 -9.3954 -9.0879 -9.0832 -8.8361 -8.8333 -8.5313 -8.5299 2.5632 2.5651 2.8708 2.9120 3.0331 3.0425 3.3369 3.3599 3.5960 3.6241 3.7306 3.7567 4.3261 4.4458 4.7980 4.8082 4.8499 4.8852 5.4949 5.5336 7.0638 7.0764 7.4021 7.4064 7.6350 7.6460 7.6978 7.7309 8.4518 8.4628 8.5578 8.5861 9.0048 9.0876 9.1922 9.2873 11.2483 11.2798 11.7981 11.8070 11.8896 11.8900 12.0338 12.0467 k = 0.1716 0.2972-0.0000 ( 2531 PWs) bands (ev): -9.4312 -9.4305 -9.1155 -9.1111 -8.8292 -8.8268 -8.5134 -8.5121 2.5456 2.5457 2.8680 2.9093 3.0292 3.0435 3.3271 3.3409 3.5583 3.5954 3.7206 3.7382 4.3412 4.4646 4.8181 4.8308 4.8775 4.9087 5.4792 5.5221 7.1139 7.1224 7.4006 7.4065 7.6334 7.6396 7.6863 7.7232 8.4495 8.4641 8.5689 8.6049 9.0365 9.1198 9.2007 9.3011 11.2432 11.2751 11.8034 11.8240 11.8978 11.9092 12.0454 12.0545 k = 0.1667 0.2887-0.0000 ( 2527 PWs) bands (ev): -9.4665 -9.4658 -9.1437 -9.1396 -8.8220 -8.8198 -8.4951 -8.4939 2.5266 2.5284 2.8614 2.9015 3.0224 3.0408 3.3139 3.3185 3.5217 3.5644 3.7146 3.7262 4.3639 4.4892 4.8392 4.8572 4.9071 4.9362 5.4648 5.5128 7.1618 7.1665 7.3974 7.4041 7.6301 7.6303 7.6767 7.7177 8.4426 8.4602 8.5750 8.6173 9.0709 9.1536 9.2119 9.3165 11.2424 11.2743 11.8071 11.8355 11.9127 11.9310 12.0576 12.0629 k = 0.1618 0.2802-0.0000 ( 2531 PWs) bands (ev): -9.5019 -9.5013 -9.1723 -9.1686 -8.8144 -8.8124 -8.4766 -8.4753 2.5083 2.5114 2.8510 2.8888 3.0125 3.0344 3.2925 3.2966 3.4861 3.5308 3.7130 3.7213 4.3942 4.5200 4.8610 4.8874 4.9384 4.9677 5.4524 5.5063 7.2060 7.2076 7.3937 7.4008 7.6174 7.6229 7.6704 7.7145 8.4320 8.4524 8.5762 8.6231 9.1067 9.1877 9.2255 9.3331 11.2460 11.2775 11.8100 11.8419 11.9339 11.9550 12.0704 12.0721 k = 0.1569 0.2717-0.0000 ( 2535 PWs) bands (ev): -9.5373 -9.5368 -9.2014 -9.1979 -8.8065 -8.8047 -8.4577 -8.4565 2.4907 2.4948 2.8371 2.8719 2.9995 3.0242 3.2630 3.2753 3.4512 3.4947 3.7160 3.7235 4.4318 4.5569 4.8836 4.9212 4.9713 5.0029 5.4428 5.5033 7.2440 7.2440 7.3907 7.3988 7.6012 7.6117 7.6673 7.7132 8.4186 8.4414 8.5727 8.6230 9.1427 9.2214 9.2411 9.3503 11.2542 11.2851 11.8124 11.8453 11.9594 11.9805 12.0820 12.0840 k = 0.1520 0.2632-0.0000 ( 2535 PWs) bands (ev): -9.5727 -9.5722 -9.2307 -9.2274 -8.7983 -8.7967 -8.4386 -8.4375 2.4740 2.4789 2.8199 2.8515 2.9835 3.0103 3.2303 3.2502 3.4164 3.4565 3.7232 3.7318 4.4764 4.5998 4.9068 4.9581 5.0056 5.0416 5.4368 5.5044 7.2712 7.2726 7.3909 7.4022 7.5826 7.5982 7.6659 7.7135 8.4028 8.4277 8.5653 8.6178 9.1779 9.2537 9.2582 9.3678 11.2672 11.2970 11.8150 11.8475 11.9874 12.0071 12.0927 12.0983 k = 0.1471 0.2547-0.0000 ( 2539 PWs) bands (ev): -9.6079 -9.6074 -9.2601 -9.2571 -8.7899 -8.7884 -8.4193 -8.4182 2.4581 2.4636 2.7999 2.8282 2.9646 2.9931 3.1953 3.2218 3.3813 3.4166 3.7339 3.7446 4.5273 4.6485 4.9309 4.9978 5.0413 5.0835 5.4352 5.5102 7.2827 7.2888 7.3975 7.4141 7.5629 7.5847 7.6652 7.7149 8.3850 8.4115 8.5544 8.6083 9.2113 9.2764 9.2840 9.3852 11.2849 11.3134 11.8179 11.8495 12.0169 12.0345 12.1041 12.1134 k = 0.1422 0.2462-0.0000 ( 2543 PWs) bands (ev): -9.6429 -9.6424 -9.2896 -9.2868 -8.7812 -8.7798 -8.3998 -8.3988 2.4432 2.4492 2.7775 2.8027 2.9431 2.9728 3.1588 3.1909 3.3456 3.3755 3.7472 3.7604 4.5838 4.7025 4.9562 5.0397 5.0786 5.1285 5.4386 5.5209 7.2788 7.2905 7.4109 7.4323 7.5436 7.5736 7.6646 7.7173 8.3653 8.3932 8.5408 8.5955 9.2420 9.2953 9.3118 9.4020 11.3073 11.3342 11.8215 11.8518 12.0474 12.0622 12.1164 12.1295 k = 0.1373 0.2377-0.0000 ( 2541 PWs) bands (ev): -9.6776 -9.6771 -9.3191 -9.3165 -8.7724 -8.7711 -8.3803 -8.3793 2.4292 2.4356 2.7532 2.7756 2.9195 2.9497 3.1215 3.1582 3.3093 3.3337 3.7620 3.7777 4.6454 4.7615 4.9833 5.0829 5.1182 5.1764 5.4476 5.5367 7.2638 7.2801 7.4262 7.4491 7.5274 7.5679 7.6643 7.7206 8.3438 8.3726 8.5251 8.5800 9.2696 9.3145 9.3366 9.4180 11.3343 11.3594 11.8259 11.8547 12.0785 12.0897 12.1293 12.1470 k = 0.1324 0.2292-0.0000 ( 2541 PWs) bands (ev): -9.7118 -9.7114 -9.3485 -9.3460 -8.7635 -8.7623 -8.3607 -8.3598 2.4162 2.4228 2.7275 2.7473 2.8941 2.9242 3.0842 3.1241 3.2723 3.2915 3.7771 3.7951 4.7112 4.8248 5.0127 5.1263 5.1610 5.2269 5.4625 5.5574 7.2409 7.2607 7.4365 7.4579 7.5177 7.5700 7.6649 7.7247 8.3206 8.3499 8.5077 8.5626 9.2936 9.3336 9.3583 9.4328 11.3656 11.3887 11.8314 11.8586 12.1100 12.1163 12.1430 12.1660 k = 0.1275 0.2208-0.0000 ( 2549 PWs) bands (ev): -9.7456 -9.7451 -9.3777 -9.3753 -8.7544 -8.7534 -8.3412 -8.3403 2.4041 2.4109 2.7006 2.7181 2.8672 2.8965 3.0474 3.0892 3.2348 3.2494 3.7917 3.8114 4.7806 4.8919 5.0453 5.1695 5.2079 5.2799 5.4834 5.5830 7.2119 7.2341 7.4379 7.4578 7.5167 7.5780 7.6674 7.7295 8.2957 8.3252 8.4893 8.5441 9.3142 9.3517 9.3765 9.4463 11.4010 11.4221 11.8380 11.8636 12.1414 12.1415 12.1573 12.1873 k = 0.1225 0.2123-0.0000 ( 2553 PWs) bands (ev): -9.7788 -9.7783 -9.4065 -9.4043 -8.7453 -8.7444 -8.3218 -8.3209 2.3930 2.3999 2.6729 2.6883 2.8391 2.8670 3.0117 3.0541 3.1971 3.2077 3.8048 3.8258 4.8530 4.9622 5.0818 5.2131 5.2587 5.3352 5.5101 5.6131 7.1779 7.2013 7.4324 7.4522 7.5216 7.5863 7.6729 7.7346 8.2691 8.2983 8.4705 8.5250 9.3318 9.3682 9.3913 9.4581 11.4402 11.4592 11.8460 11.8699 12.1644 12.1713 12.1739 12.2109 k = 0.1176 0.2038-0.0000 ( 2557 PWs) bands (ev): -9.8113 -9.8109 -9.4350 -9.4329 -8.7363 -8.7353 -8.3025 -8.3016 2.3828 2.3898 2.6448 2.6583 2.8102 2.8358 2.9773 3.0191 3.1594 3.1666 3.8158 3.8376 4.9277 5.0350 5.1228 5.2586 5.3126 5.3928 5.5421 5.6472 7.1396 7.1634 7.4243 7.4442 7.5278 7.5909 7.6814 7.7393 8.2408 8.2694 8.4518 8.5059 9.3466 9.3824 9.4026 9.4682 11.4829 11.4999 11.8554 11.8776 12.1857 12.1875 12.2044 12.2366 k = 0.1127 0.1953-0.0000 ( 2553 PWs) bands (ev): -9.8431 -9.8427 -9.4629 -9.4610 -8.7272 -8.7263 -8.2833 -8.2825 2.3735 2.3806 2.6164 2.6282 2.7805 2.8034 2.9445 2.9845 3.1219 3.1264 3.8243 3.8463 5.0040 5.1098 5.1690 5.3070 5.3691 5.4524 5.5788 5.6849 7.0978 7.1214 7.4156 7.4353 7.5326 7.5911 7.6911 7.7428 8.2108 8.2384 8.4338 8.4875 9.3586 9.3940 9.4103 9.4764 11.5288 11.5437 11.8662 11.8867 12.2034 12.2056 12.2353 12.2636 k = 0.1078 0.1868-0.0000 ( 2555 PWs) bands (ev): -9.8741 -9.8737 -9.4904 -9.4885 -8.7182 -8.7174 -8.2645 -8.2637 2.3651 2.3721 2.5880 2.5983 2.7503 2.7699 2.9136 2.9509 3.0849 3.0873 3.8301 3.8518 5.0813 5.1856 5.2207 5.3595 5.4277 5.5139 5.6194 5.7258 7.0532 7.0763 7.4073 7.4263 7.5353 7.5877 7.6997 7.7441 8.1791 8.2053 8.4169 8.4701 9.3678 9.4031 9.4143 9.4828 11.5772 11.5903 11.8785 11.8974 12.2197 12.2247 12.2656 12.2912 k = 0.1029 0.1783-0.0000 ( 2555 PWs) bands (ev): -9.9042 -9.9039 -9.5171 -9.5154 -8.7092 -8.7085 -8.2459 -8.2452 2.3574 2.3644 2.5598 2.5688 2.7198 2.7358 2.8846 2.9184 3.0486 3.0494 3.8331 3.8541 5.1589 5.2621 5.2782 5.4166 5.4881 5.5773 5.6633 5.7695 7.0065 7.0288 7.3993 7.4172 7.5357 7.5818 7.7052 7.7424 8.1457 8.1703 8.4017 8.4541 9.3736 9.4101 9.4147 9.4875 11.6280 11.6393 11.8924 11.9096 12.2363 12.2434 12.2954 12.3189 k = 0.0980 0.1698-0.0000 ( 2559 PWs) bands (ev): -9.9334 -9.9331 -9.5432 -9.5416 -8.7005 -8.6998 -8.2277 -8.2270 2.3504 2.3574 2.5319 2.5398 2.6890 2.7013 2.8574 2.8875 3.0129 3.0132 3.8335 3.8534 5.2363 5.3385 5.3412 5.4785 5.5504 5.6423 5.7100 5.8156 6.9583 6.9799 7.3915 7.4081 7.5340 7.5740 7.7066 7.7371 8.1106 8.1334 8.3886 8.4400 9.3756 9.4115 9.4155 9.4905 11.6805 11.6902 11.9076 11.9233 12.2531 12.2617 12.3246 12.3463 k = 0.0931 0.1613-0.0000 ( 2559 PWs) bands (ev): -9.9616 -9.9613 -9.5685 -9.5670 -8.6919 -8.6912 -8.2099 -8.2093 2.3441 2.3510 2.5046 2.5114 2.6581 2.6670 2.8322 2.8583 2.9778 2.9788 3.8313 3.8500 5.3134 5.4094 5.4145 5.5449 5.6145 5.7089 5.7590 5.8636 6.9093 6.9303 7.3837 7.3988 7.5305 7.5647 7.7031 7.7275 8.0738 8.0947 8.3777 8.4278 9.3734 9.4046 9.4199 9.4920 11.7343 11.7426 11.9243 11.9384 12.2700 12.2798 12.3529 12.3733 k = 0.0882 0.1528-0.0000 ( 2559 PWs) bands (ev): -9.9887 -9.9884 -9.5929 -9.5915 -8.6835 -8.6829 -8.1927 -8.1920 2.3383 2.3452 2.4779 2.4838 2.6273 2.6330 2.8088 2.8310 2.9442 2.9456 3.8270 3.8443 5.3901 5.4818 5.4902 5.6148 5.6803 5.7768 5.8099 5.9132 6.8600 6.8805 7.3758 7.3894 7.5253 7.5542 7.6944 7.7135 8.0355 8.0542 8.3691 8.4176 9.3670 9.3943 9.4234 9.4920 11.7889 11.7959 11.9423 11.9551 12.2871 12.2977 12.3805 12.3997 k = 0.0833 0.1443-0.0000 ( 2557 PWs) bands (ev): -10.0147 -10.0145 -9.6164 -9.6151 -8.6753 -8.6747 -8.1759 -8.1754 2.3331 2.3399 2.4520 2.4571 2.5967 2.5996 2.7873 2.8058 2.9122 2.9138 3.8209 3.8368 5.4670 5.5571 5.5658 5.6870 5.7481 5.8459 5.8624 5.9640 6.8111 6.8312 7.3675 7.3795 7.5186 7.5424 7.6807 7.6949 7.9956 8.0121 8.3627 8.4093 9.3567 9.3807 9.4259 9.4907 11.8436 11.8494 11.9615 11.9731 12.3041 12.3154 12.4072 12.4253 k = 0.0784 0.1358-0.0000 ( 2567 PWs) bands (ev): -10.0396 -10.0393 -9.6389 -9.6377 -8.6674 -8.6669 -8.1598 -8.1593 2.3282 2.3349 2.4270 2.4314 2.5666 2.5672 2.7676 2.7829 2.8818 2.8833 3.8132 3.8278 5.5443 5.6343 5.6414 5.7598 5.8177 5.9160 5.9164 6.0157 6.7631 6.7830 7.3586 7.3691 7.5106 7.5293 7.6622 7.6719 7.9543 7.9685 8.3582 8.4026 9.3429 9.3641 9.4274 9.4880 11.8978 11.9025 11.9820 11.9926 12.3210 12.3328 12.4330 12.4501 k = 0.0735 0.1274-0.0000 ( 2567 PWs) bands (ev): -10.0632 -10.0629 -9.6603 -9.6592 -8.6598 -8.6593 -8.1444 -8.1438 2.3236 2.3302 2.4030 2.4068 2.5359 2.5372 2.7497 2.7621 2.8530 2.8544 3.8045 3.8177 5.6222 5.7122 5.7173 5.8321 5.8886 5.9721 5.9868 6.0678 6.7166 6.7366 7.3491 7.3579 7.5013 7.5150 7.6395 7.6448 7.9117 7.9235 8.3554 8.3974 9.3262 9.3449 9.4278 9.4841 11.9502 11.9536 12.0042 12.0142 12.3379 12.3499 12.4579 12.4742 k = 0.0686 0.1189-0.0000 ( 2559 PWs) bands (ev): -10.0855 -10.0852 -9.6806 -9.6796 -8.6526 -8.6521 -8.1296 -8.1291 2.3193 2.3258 2.3801 2.3835 2.5060 2.5087 2.7337 2.7435 2.8259 2.8270 3.7950 3.8068 5.7007 5.7902 5.7934 5.9032 5.9590 6.0303 6.0578 6.1199 6.6725 6.6926 7.3385 7.3459 7.4909 7.4991 7.6132 7.6139 7.8679 7.8774 8.3539 8.3932 9.3069 9.3235 9.4270 9.4790 11.9974 11.9993 12.0308 12.0407 12.3545 12.3667 12.4820 12.4974 k = 0.0637 0.1104-0.0000 ( 2555 PWs) bands (ev): -10.1064 -10.1062 -9.6998 -9.6988 -8.6457 -8.6453 -8.1156 -8.1152 2.3151 2.3216 2.3585 2.3615 2.4775 2.4812 2.7194 2.7271 2.8005 2.8014 3.7850 3.7956 5.7794 5.8676 5.8694 5.9729 6.0260 6.0924 6.1284 6.1715 6.6317 6.6519 7.3269 7.3328 7.4793 7.4815 7.5795 7.5842 7.8231 7.8303 8.3533 8.3899 9.2856 9.3001 9.4252 9.4729 12.0317 12.0336 12.0687 12.0772 12.3707 12.3829 12.5052 12.5198 k = 0.0588 0.1019-0.0000 ( 2551 PWs) bands (ev): -10.1260 -10.1259 -9.7177 -9.7169 -8.6392 -8.6388 -8.1024 -8.1020 2.3109 2.3175 2.3381 2.3410 2.4507 2.4551 2.7068 2.7128 2.7769 2.7774 3.7748 3.7842 5.8580 5.9440 5.9448 6.0410 6.0872 6.1595 6.1969 6.2227 6.5956 6.6157 7.3138 7.3184 7.4615 7.4667 7.5421 7.5534 7.7776 7.7825 8.3534 8.3872 9.2626 9.2754 9.4224 9.4659 12.0562 12.0585 12.1138 12.1207 12.3866 12.3986 12.5277 12.5415 k = 0.0539 0.0934-0.0000 ( 2553 PWs) bands (ev): -10.1442 -10.1441 -9.7344 -9.7336 -8.6331 -8.6328 -8.0901 -8.0897 2.3062 2.3134 2.3192 2.3226 2.4256 2.4304 2.6958 2.7003 2.7550 2.7553 3.7647 3.7730 5.9357 6.0189 6.0190 6.1060 6.1438 6.2300 6.2555 6.2790 6.5663 6.5854 7.2989 7.3025 7.4383 7.4529 7.5022 7.5222 7.7314 7.7344 8.3539 8.3848 9.2386 9.2497 9.4188 9.4581 12.0776 12.0797 12.1588 12.1647 12.4019 12.4135 12.5495 12.5625 k = 0.0490 0.0849-0.0000 ( 2549 PWs) bands (ev): -10.1610 -10.1608 -9.7498 -9.7491 -8.6275 -8.6272 -8.0787 -8.0783 2.2981 2.3011 2.3092 2.3099 2.4025 2.4074 2.6863 2.6898 2.7349 2.7349 3.7548 3.7622 6.0117 6.0904 6.0922 6.1630 6.2011 6.2975 6.3012 6.3436 6.5475 6.5633 7.2821 7.2848 7.4111 7.4381 7.4601 7.4920 7.6850 7.6861 8.3546 8.3827 9.2140 9.2236 9.4144 9.4497 12.0975 12.0993 12.2013 12.2066 12.4166 12.4276 12.5707 12.5827 k = 0.0441 0.0764-0.0000 ( 2549 PWs) bands (ev): -10.1762 -10.1761 -9.7638 -9.7632 -8.6223 -8.6220 -8.0682 -8.0679 2.2845 2.2851 2.3031 2.3061 2.3813 2.3861 2.6783 2.6809 2.7164 2.7166 3.7455 3.7519 6.0842 6.1556 6.1632 6.2092 6.2638 6.3271 6.3705 6.4086 6.5439 6.5523 7.2628 7.2652 7.3792 7.4160 7.4224 7.4638 7.6384 7.6388 8.3555 8.3807 9.1894 9.1977 9.4096 9.4409 12.1160 12.1174 12.2405 12.2452 12.4304 12.4406 12.5912 12.6023 k = 0.0392 0.0679-0.0000 ( 2545 PWs) bands (ev): -10.1899 -10.1898 -9.7765 -9.7759 -8.6176 -8.6174 -8.0588 -8.0585 2.2703 2.2705 2.2993 2.3025 2.3622 2.3667 2.6716 2.6735 2.6999 2.7002 3.7367 3.7423 6.1495 6.2023 6.2310 6.2567 6.3296 6.3476 6.4356 6.4706 6.5557 6.5582 7.2407 7.2433 7.3433 7.3714 7.4051 7.4375 7.5919 7.5934 8.3564 8.3788 9.1654 9.1724 9.4044 9.4320 12.1330 12.1340 12.2760 12.2801 12.4432 12.4523 12.6109 12.6211 k = 0.0343 0.0594-0.0000 ( 2553 PWs) bands (ev): -10.2021 -10.2020 -9.7877 -9.7872 -8.6134 -8.6132 -8.0503 -8.0501 2.2574 2.2574 2.2961 2.2992 2.3452 2.3493 2.6661 2.6675 2.6852 2.6856 3.7288 3.7335 6.1995 6.2229 6.2949 6.3147 6.3703 6.3954 6.4931 6.5277 6.5763 6.5880 7.2152 7.2187 7.3047 7.3264 7.3865 7.4123 7.5476 7.5496 8.3573 8.3769 9.1425 9.1483 9.3992 9.4231 12.1484 12.1491 12.3074 12.3109 12.4548 12.4627 12.6298 12.6390 k = 0.0294 0.0509-0.0000 ( 2545 PWs) bands (ev): -10.2127 -10.2126 -9.7975 -9.7971 -8.6098 -8.6096 -8.0429 -8.0427 2.2460 2.2460 2.2934 2.2961 2.3305 2.3340 2.6616 2.6626 2.6726 2.6730 3.7217 3.7257 6.2251 6.2283 6.3554 6.3746 6.4083 6.4588 6.5412 6.5783 6.6135 6.6277 7.1858 7.1909 7.2656 7.2825 7.3662 7.3870 7.5068 7.5087 8.3582 8.3750 9.1213 9.1261 9.3942 9.4144 12.1620 12.1625 12.3348 12.3374 12.4650 12.4715 12.6476 12.6556 k = 0.0245 0.0425-0.0000 ( 2541 PWs) bands (ev): -10.2217 -10.2216 -9.8058 -9.8055 -8.6066 -8.6065 -8.0366 -8.0364 2.2363 2.2363 2.2910 2.2933 2.3180 2.3209 2.6575 2.6585 2.6624 2.6626 3.7156 3.7189 6.2262 6.2303 6.4142 6.4317 6.4588 6.5167 6.5845 6.6227 6.6594 6.6714 7.1521 7.1593 7.2284 7.2412 7.3436 7.3604 7.4711 7.4725 8.3591 8.3731 9.1024 9.1062 9.3897 9.4064 12.1737 12.1740 12.3579 12.3598 12.4737 12.4787 12.6638 12.6706 k = 0.0196 0.0340-0.0000 ( 2541 PWs) bands (ev): -10.2291 -10.2290 -9.8127 -9.8124 -8.6041 -8.6039 -8.0314 -8.0313 2.2283 2.2283 2.2891 2.2908 2.3078 2.3100 2.6517 2.6525 2.6568 2.6568 3.7106 3.7132 6.2208 6.2261 6.4698 6.4840 6.5117 6.5646 6.6299 6.6624 6.7052 6.7137 7.1143 7.1234 7.1956 7.2046 7.3190 7.3321 7.4417 7.4426 8.3601 8.3713 9.0861 9.0891 9.3858 9.3991 12.1834 12.1835 12.3768 12.3780 12.4808 12.4844 12.6780 12.6836 k = 0.0147 0.0255-0.0000 ( 2545 PWs) bands (ev): -10.2348 -10.2348 -9.8180 -9.8178 -8.6020 -8.6020 -8.0274 -8.0273 2.2220 2.2220 2.2877 2.2888 2.2999 2.3014 2.6453 2.6459 2.6543 2.6544 3.7067 3.7086 6.2148 6.2193 6.5192 6.5293 6.5603 6.6001 6.6782 6.6989 6.7454 6.7504 7.0742 7.0845 7.1690 7.1742 7.2938 7.3032 7.4194 7.4198 8.3611 8.3695 9.0731 9.0752 9.3829 9.3928 12.1910 12.1910 12.3915 12.3921 12.4862 12.4886 12.6898 12.6941 k = 0.0098 0.0170-0.0000 ( 2541 PWs) bands (ev): -10.2390 -10.2389 -9.8218 -9.8217 -8.6006 -8.6005 -8.0244 -8.0244 2.2175 2.2176 2.2867 2.2873 2.2943 2.2951 2.6406 2.6409 2.6529 2.6529 3.7040 3.7053 6.2099 6.2130 6.5587 6.5649 6.5999 6.6246 6.7235 6.7320 6.7767 6.7788 7.0358 7.0458 7.1497 7.1517 7.2710 7.2768 7.4039 7.4041 8.3622 8.3678 9.0635 9.0649 9.3811 9.3877 12.1965 12.1965 12.4020 12.4022 12.4900 12.4914 12.6988 12.7016 k = 0.0049 0.0085-0.0000 ( 2547 PWs) bands (ev): -10.2414 -10.2414 -9.8241 -9.8240 -8.5997 -8.5997 -8.0227 -8.0226 2.2148 2.2148 2.2863 2.2864 2.2909 2.2912 2.6377 2.6379 2.6520 2.6520 3.7025 3.7031 6.2069 6.2085 6.5848 6.5877 6.6269 6.6382 6.7571 6.7585 6.7969 6.7973 7.0066 7.0134 7.1381 7.1384 7.2548 7.2575 7.3948 7.3948 8.3634 8.3662 9.0578 9.0585 9.3807 9.3839 12.1997 12.1997 12.4082 12.4082 12.4924 12.4930 12.7046 12.7060 k = 0.0000 0.0000 0.0000 ( 2555 PWs) bands (ev): -10.2423 -10.2423 -9.8248 -9.8248 -8.5994 -8.5994 -8.0221 -8.0221 2.2139 2.2139 2.2861 2.2861 2.2898 2.2898 2.6368 2.6368 2.6518 2.6518 3.7022 3.7022 6.2064 6.2064 6.5948 6.5948 6.6396 6.6396 6.7695 6.7695 6.8041 6.8041 6.9975 6.9975 7.1342 7.1342 7.2496 7.2496 7.3918 7.3918 8.3648 8.3648 9.0561 9.0561 9.3816 9.3816 12.2008 12.2008 12.4103 12.4103 12.4933 12.4933 12.7070 12.7070 k = 0.0000 0.0000 0.0000 ( 2555 PWs) bands (ev): -10.2423 -10.2423 -9.8248 -9.8248 -8.5994 -8.5994 -8.0221 -8.0221 2.2139 2.2139 2.2861 2.2861 2.2898 2.2898 2.6368 2.6368 2.6518 2.6518 3.7022 3.7022 6.2064 6.2064 6.5948 6.5948 6.6396 6.6396 6.7695 6.7695 6.8041 6.8041 6.9975 6.9975 7.1342 7.1342 7.2496 7.2496 7.3918 7.3918 8.3648 8.3648 9.0561 9.0561 9.3816 9.3816 12.2008 12.2008 12.4103 12.4103 12.4933 12.4933 12.7070 12.7070 k = 0.0000 0.0000 0.0098 ( 2549 PWs) bands (ev): -10.2417 -10.2417 -9.8258 -9.8258 -8.5981 -8.5981 -8.0229 -8.0229 2.2141 2.2141 2.2860 2.2860 2.2912 2.2912 2.6372 2.6372 2.6516 2.6516 3.6985 3.6985 6.2109 6.2109 6.5949 6.5949 6.6399 6.6399 6.7696 6.7696 6.8041 6.8041 6.9978 6.9978 7.1345 7.1345 7.2491 7.2491 7.3913 7.3913 8.3612 8.3612 9.0567 9.0567 9.3811 9.3811 12.2012 12.2012 12.4099 12.4099 12.4937 12.4937 12.7067 12.7067 k = 0.0000 0.0000 0.0196 ( 2537 PWs) bands (ev): -10.2401 -10.2401 -9.8289 -9.8289 -8.5943 -8.5943 -8.0254 -8.0254 2.2144 2.2144 2.2856 2.2856 2.2954 2.2954 2.6384 2.6384 2.6510 2.6510 3.6876 3.6876 6.2240 6.2240 6.5950 6.5950 6.6409 6.6409 6.7699 6.7699 6.8041 6.8041 6.9989 6.9989 7.1357 7.1357 7.2477 7.2477 7.3899 7.3899 8.3506 8.3506 9.0583 9.0583 9.3795 9.3795 12.2024 12.2024 12.4090 12.4090 12.4949 12.4949 12.7057 12.7057 k = 0.0000 0.0000 0.0294 ( 2525 PWs) bands (ev): -10.2374 -10.2374 -9.8339 -9.8339 -8.5880 -8.5880 -8.0295 -8.0295 2.2150 2.2150 2.2850 2.2850 2.3025 2.3025 2.6403 2.6403 2.6500 2.6500 3.6698 3.6698 6.2455 6.2455 6.5952 6.5952 6.6428 6.6428 6.7703 6.7703 6.8040 6.8040 7.0007 7.0007 7.1375 7.1375 7.2453 7.2453 7.3875 7.3875 8.3331 8.3331 9.0610 9.0610 9.3768 9.3768 12.2043 12.2043 12.4073 12.4073 12.4969 12.4969 12.7040 12.7040 k = 0.0000 0.0000 0.0392 ( 2531 PWs) bands (ev): -10.2337 -10.2337 -9.8408 -9.8408 -8.5792 -8.5792 -8.0352 -8.0352 2.2158 2.2158 2.2841 2.2841 2.3122 2.3122 2.6431 2.6431 2.6486 2.6486 3.6455 3.6455 6.2746 6.2746 6.5955 6.5955 6.6456 6.6456 6.7709 6.7709 6.8039 6.8039 7.0032 7.0032 7.1402 7.1402 7.2419 7.2419 7.3841 7.3841 8.3088 8.3088 9.0647 9.0647 9.3731 9.3731 12.2069 12.2069 12.4050 12.4050 12.4996 12.4996 12.7017 12.7017 k = 0.0000 0.0000 0.0490 ( 2537 PWs) bands (ev): -10.2289 -10.2289 -9.8495 -9.8495 -8.5683 -8.5683 -8.0425 -8.0425 2.2169 2.2169 2.2830 2.2830 2.3244 2.3244 2.6467 2.6467 2.6469 2.6469 3.6153 3.6153 6.3105 6.3105 6.5959 6.5959 6.6497 6.6497 6.7716 6.7716 6.8038 6.8038 7.0063 7.0063 7.1435 7.1435 7.2377 7.2377 7.3799 7.3799 8.2780 8.2780 9.0695 9.0695 9.3684 9.3684 12.2102 12.2102 12.4021 12.4021 12.5031 12.5031 12.6987 12.6987 k = 0.0000 0.0000 0.0588 ( 2542 PWs) bands (ev): -10.2230 -10.2230 -9.8598 -9.8598 -8.5552 -8.5552 -8.0513 -8.0513 2.2182 2.2182 2.2816 2.2816 2.3391 2.3391 2.6445 2.6445 2.6517 2.6517 3.5799 3.5799 6.3518 6.3518 6.5964 6.5964 6.6556 6.6556 6.7725 6.7725 6.8036 6.8036 7.0102 7.0102 7.1476 7.1476 7.2325 7.2325 7.3748 7.3748 8.2411 8.2411 9.0752 9.0752 9.3626 9.3626 12.2143 12.2143 12.3985 12.3985 12.5073 12.5073 12.6951 12.6951 k = 0.0000 0.0000 0.0686 ( 2542 PWs) bands (ev): -10.2161 -10.2161 -9.8715 -9.8715 -8.5402 -8.5402 -8.0617 -8.0617 2.2196 2.2196 2.2801 2.2801 2.3560 2.3560 2.6419 2.6419 2.6576 2.6576 3.5399 3.5399 6.3967 6.3967 6.5969 6.5969 6.6645 6.6645 6.7735 6.7735 6.8034 6.8034 7.0148 7.0148 7.1524 7.1524 7.2266 7.2266 7.3688 7.3688 8.1982 8.1982 9.0820 9.0820 9.3558 9.3558 12.2190 12.2190 12.3943 12.3943 12.5121 12.5121 12.6908 12.6908 k = 0.0000 0.0000 0.0784 ( 2542 PWs) bands (ev): -10.2083 -10.2083 -9.8845 -9.8845 -8.5234 -8.5234 -8.0736 -8.0736 2.2213 2.2213 2.2783 2.2783 2.3748 2.3748 2.6389 2.6389 2.6650 2.6650 3.4962 3.4962 6.4428 6.4428 6.5975 6.5975 6.6782 6.6782 6.7747 6.7747 6.8031 6.8031 7.0200 7.0200 7.1579 7.1579 7.2198 7.2198 7.3621 7.3621 8.1499 8.1499 9.0896 9.0896 9.3480 9.3480 12.2243 12.2243 12.3896 12.3896 12.5176 12.5176 12.6860 12.6860 k = 0.0000 0.0000 0.0882 ( 2542 PWs) bands (ev): -10.1994 -10.1994 -9.8987 -9.8987 -8.5051 -8.5051 -8.0868 -8.0868 2.2232 2.2232 2.2763 2.2763 2.3952 2.3952 2.6355 2.6355 2.6741 2.6741 3.4493 3.4493 6.4861 6.4861 6.5981 6.5981 6.6996 6.6996 6.7759 6.7759 6.8026 6.8026 7.0260 7.0260 7.1640 7.1640 7.2124 7.2124 7.3546 7.3546 8.0964 8.0964 9.0982 9.0982 9.3394 9.3394 12.2303 12.2303 12.3843 12.3843 12.5237 12.5237 12.6806 12.6806 k = 0.0000 0.0000 0.0981 ( 2542 PWs) bands (ev): -10.1896 -10.1896 -9.9138 -9.9138 -8.4855 -8.4855 -8.1014 -8.1014 2.2253 2.2253 2.2741 2.2741 2.4167 2.4167 2.6317 2.6317 2.6852 2.6852 3.4001 3.4001 6.5223 6.5223 6.5987 6.5987 6.7324 6.7324 6.7773 6.7773 6.8021 6.8021 7.0326 7.0326 7.1709 7.1709 7.2043 7.2043 7.3465 7.3465 8.0383 8.0383 9.1075 9.1075 9.3298 9.3298 12.2367 12.2367 12.3785 12.3785 12.5303 12.5303 12.6747 12.6747 k = 0.0000 0.0000 0.1079 ( 2542 PWs) bands (ev): -10.1789 -10.1789 -9.9296 -9.9296 -8.4648 -8.4648 -8.1173 -8.1173 2.2275 2.2275 2.2718 2.2718 2.4387 2.4387 2.6274 2.6274 2.6987 2.6987 3.3491 3.3491 6.5489 6.5489 6.5992 6.5992 6.7785 6.7785 6.7788 6.7788 6.8014 6.8014 7.0399 7.0399 7.1784 7.1784 7.1955 7.1955 7.3378 7.3378 7.9760 7.9760 9.1177 9.1177 9.3194 9.3194 12.2436 12.2436 12.3722 12.3722 12.5374 12.5374 12.6683 12.6683 k = 0.0000 0.0000 0.1177 ( 2536 PWs) bands (ev): -10.1673 -10.1673 -9.9460 -9.9460 -8.4431 -8.4431 -8.1344 -8.1344 2.2299 2.2299 2.2693 2.2693 2.4607 2.4607 2.6228 2.6228 2.7153 2.7153 3.2969 3.2969 6.5666 6.5666 6.5998 6.5998 6.7804 6.7804 6.8007 6.8007 6.8365 6.8365 7.0478 7.0478 7.1863 7.1863 7.1864 7.1864 7.3285 7.3285 7.9099 7.9099 9.1285 9.1285 9.3084 9.3084 12.2510 12.2510 12.3654 12.3654 12.5449 12.5449 12.6614 12.6614 k = 0.0000 0.0000 0.1275 ( 2536 PWs) bands (ev): -10.1549 -10.1549 -9.9629 -9.9629 -8.4207 -8.4207 -8.1526 -8.1526 2.2324 2.2324 2.2667 2.2667 2.4819 2.4819 2.6176 2.6176 2.7355 2.7355 3.2440 3.2440 6.5781 6.5781 6.6003 6.6003 6.7820 6.7820 6.7998 6.7998 6.9030 6.9030 7.0564 7.0564 7.1766 7.1766 7.1951 7.1951 7.3188 7.3188 7.8403 7.8403 9.1400 9.1400 9.2966 9.2966 12.2587 12.2587 12.3583 12.3583 12.5528 12.5528 12.6541 12.6541 k = 0.0000 0.0000 0.1373 ( 2530 PWs) bands (ev): -10.1417 -10.1417 -9.9800 -9.9800 -8.3977 -8.3977 -8.1719 -8.1719 2.2350 2.2350 2.2640 2.2640 2.5017 2.5017 2.6120 2.6120 2.7596 2.7596 3.1911 3.1911 6.5857 6.5857 6.6007 6.6007 6.7836 6.7836 6.7987 6.7987 6.9748 6.9748 7.0659 7.0659 7.1666 7.1666 7.2042 7.2042 7.3087 7.3087 7.7677 7.7677 9.1520 9.1520 9.2844 9.2844 12.2667 12.2667 12.3507 12.3507 12.5610 12.5610 12.6465 12.6465 k = 0.0000 0.0000 0.1471 ( 2536 PWs) bands (ev): -10.1277 -10.1277 -9.9973 -9.9973 -8.3743 -8.3743 -8.1921 -8.1921 2.2378 2.2378 2.2612 2.2612 2.5198 2.5198 2.6058 2.6058 2.7879 2.7879 3.1385 3.1385 6.5909 6.5909 6.6009 6.6009 6.7853 6.7853 6.7976 6.7976 7.0473 7.0473 7.0790 7.0790 7.1562 7.1562 7.2138 7.2138 7.2983 7.2983 7.6925 7.6925 9.1646 9.1646 9.2716 9.2716 12.2749 12.2749 12.3429 12.3429 12.5694 12.5694 12.6385 12.6385 k = 0.0000 0.0000 0.1569 ( 2530 PWs) bands (ev): -10.1131 -10.1131 -10.0147 -10.0147 -8.3508 -8.3508 -8.2132 -8.2132 2.2406 2.2406 2.2583 2.2583 2.5359 2.5359 2.5989 2.5989 2.8206 2.8206 3.0868 3.0868 6.5945 6.5945 6.6011 6.6011 6.7870 6.7870 6.7963 6.7963 7.0804 7.0804 7.1345 7.1345 7.1457 7.1457 7.2238 7.2238 7.2877 7.2877 7.6153 7.6153 9.1775 9.1775 9.2585 9.2585 12.2834 12.2834 12.3348 12.3348 12.5780 12.5780 12.6303 12.6303 k = 0.0000 0.0000 0.1667 ( 2542 PWs) bands (ev): -10.0978 -10.0978 -10.0319 -10.0319 -8.3271 -8.3271 -8.2350 -8.2350 2.2435 2.2435 2.2554 2.2554 2.5501 2.5501 2.5913 2.5913 2.8573 2.8573 3.0364 3.0364 6.5970 6.5970 6.6009 6.6009 6.7887 6.7887 6.7950 6.7950 7.0920 7.0920 7.1350 7.1350 7.2132 7.2132 7.2340 7.2340 7.2769 7.2769 7.5363 7.5363 9.1908 9.1908 9.2451 9.2451 12.2920 12.2920 12.3264 12.3264 12.5868 12.5868 12.6218 12.6218 k = 0.0000 0.0000 0.1765 ( 2542 PWs) bands (ev): -10.0820 -10.0820 -10.0489 -10.0489 -8.3036 -8.3036 -8.2574 -8.2574 2.2464 2.2464 2.2524 2.2524 2.5625 2.5625 2.5829 2.5829 2.8977 2.8977 2.9877 2.9877 6.5987 6.5987 6.6006 6.6006 6.7903 6.7903 6.7935 6.7935 7.1028 7.1028 7.1242 7.1242 7.2446 7.2446 7.2661 7.2661 7.2940 7.2940 7.4562 7.4562 9.2043 9.2043 9.2315 9.2315 12.3006 12.3006 12.3179 12.3179 12.5956 12.5956 12.6131 12.6131 k = 0.0000 0.0000 0.1863 ( 2542 PWs) bands (ev): -10.0656 -10.0656 -10.0656 -10.0656 -8.2803 -8.2803 -8.2803 -8.2803 2.2494 2.2494 2.2494 2.2494 2.5733 2.5733 2.5733 2.5733 2.9413 2.9413 2.9413 2.9413 6.5999 6.5999 6.5999 6.5999 6.7920 6.7920 6.7920 6.7920 7.1135 7.1135 7.1135 7.1135 7.2553 7.2553 7.2553 7.2553 7.3752 7.3752 7.3752 7.3752 9.2179 9.2179 9.2179 9.2179 12.3093 12.3093 12.3093 12.3093 12.6044 12.6044 12.6044 12.6044 k = 0.0000 0.0000 0.1863 ( 2542 PWs) bands (ev): -10.0656 -10.0656 -10.0656 -10.0656 -8.2803 -8.2803 -8.2803 -8.2803 2.2494 2.2494 2.2494 2.2494 2.5733 2.5733 2.5733 2.5733 2.9413 2.9413 2.9413 2.9413 6.5999 6.5999 6.5999 6.5999 6.7920 6.7920 6.7920 6.7920 7.1135 7.1135 7.1135 7.1135 7.2553 7.2553 7.2553 7.2553 7.3752 7.3752 7.3752 7.3752 9.2179 9.2179 9.2179 9.2179 12.3093 12.3093 12.3093 12.3093 12.6044 12.6044 12.6044 12.6044 k = 0.0085 0.0049 0.1863 ( 2542 PWs) bands (ev): -10.0649 -10.0649 -10.0648 -10.0648 -8.2807 -8.2807 -8.2807 -8.2807 2.2497 2.2497 2.2497 2.2497 2.5734 2.5734 2.5736 2.5736 2.9432 2.9432 2.9434 2.9434 6.5929 6.5929 6.5943 6.5943 6.7804 6.7804 6.7804 6.7804 7.1202 7.1202 7.1211 7.1211 7.2552 7.2552 7.2552 7.2552 7.3822 7.3822 7.3828 7.3828 9.2193 9.2193 9.2193 9.2193 12.3077 12.3077 12.3077 12.3077 12.6025 12.6025 12.6029 12.6029 k = 0.0169 0.0098 0.1863 ( 2542 PWs) bands (ev): -10.0625 -10.0625 -10.0625 -10.0625 -8.2820 -8.2820 -8.2820 -8.2820 2.2507 2.2507 2.2507 2.2507 2.5740 2.5740 2.5742 2.5742 2.9489 2.9489 2.9493 2.9493 6.5739 6.5739 6.5765 6.5765 6.7489 6.7489 6.7491 6.7491 7.1371 7.1371 7.1387 7.1387 7.2578 7.2578 7.2580 7.2580 7.4017 7.4017 7.4029 7.4029 9.2235 9.2235 9.2235 9.2235 12.3028 12.3028 12.3028 12.3028 12.5975 12.5975 12.5981 12.5981 k = 0.0254 0.0147 0.1863 ( 2536 PWs) bands (ev): -10.0586 -10.0586 -10.0585 -10.0585 -8.2841 -8.2841 -8.2841 -8.2841 2.2523 2.2523 2.2523 2.2523 2.5751 2.5751 2.5755 2.5755 2.9583 2.9583 2.9589 2.9589 6.5438 6.5438 6.5475 6.5475 6.7038 6.7038 6.7041 6.7041 7.1551 7.1551 7.1572 7.1572 7.2692 7.2692 7.2694 7.2694 7.4298 7.4298 7.4316 7.4316 9.2303 9.2303 9.2304 9.2304 12.2947 12.2947 12.2947 12.2947 12.5894 12.5894 12.5903 12.5903 k = 0.0339 0.0196 0.1863 ( 2532 PWs) bands (ev): -10.0531 -10.0531 -10.0530 -10.0530 -8.2871 -8.2871 -8.2870 -8.2870 2.2545 2.2545 2.2545 2.2545 2.5769 2.5769 2.5774 2.5774 2.9713 2.9713 2.9720 2.9720 6.5034 6.5034 6.5080 6.5080 6.6505 6.6505 6.6512 6.6512 7.1672 7.1672 7.1691 7.1691 7.2935 7.2935 7.2937 7.2937 7.4633 7.4633 7.4656 7.4656 9.2396 9.2396 9.2397 9.2397 12.2831 12.2831 12.2831 12.2831 12.5786 12.5786 12.5799 12.5799 k = 0.0424 0.0245 0.1863 ( 2534 PWs) bands (ev): -10.0460 -10.0460 -10.0459 -10.0459 -8.2909 -8.2909 -8.2908 -8.2908 2.2574 2.2574 2.2574 2.2574 2.5796 2.5796 2.5801 2.5801 2.9876 2.9876 2.9885 2.9885 6.4534 6.4534 6.4588 6.4588 6.5933 6.5933 6.5942 6.5942 7.1730 7.1730 7.1744 7.1744 7.3282 7.3282 7.3292 7.3292 7.4999 7.4999 7.5026 7.5026 9.2510 9.2510 9.2512 9.2512 12.2679 12.2679 12.2680 12.2680 12.5656 12.5656 12.5671 12.5671 k = 0.0508 0.0294 0.1863 ( 2538 PWs) bands (ev): -10.0374 -10.0374 -10.0373 -10.0373 -8.2954 -8.2954 -8.2953 -8.2953 2.2608 2.2608 2.2608 2.2608 2.5834 2.5834 2.5840 2.5840 3.0070 3.0070 3.0081 3.0081 6.3943 6.3943 6.4001 6.4001 6.5351 6.5351 6.5362 6.5362 7.1755 7.1755 7.1762 7.1762 7.3692 7.3692 7.3710 7.3710 7.5384 7.5384 7.5413 7.5413 9.2642 9.2642 9.2645 9.2645 12.2492 12.2492 12.2493 12.2493 12.5510 12.5510 12.5527 12.5527 k = 0.0593 0.0342 0.1863 ( 2546 PWs) bands (ev): -10.0274 -10.0274 -10.0272 -10.0272 -8.3008 -8.3008 -8.3007 -8.3007 2.2649 2.2649 2.2649 2.2649 2.5884 2.5884 2.5891 2.5891 3.0293 3.0293 3.0305 3.0305 6.3266 6.3266 6.3326 6.3326 6.4778 6.4778 6.4789 6.4789 7.1766 7.1766 7.1766 7.1766 7.4130 7.4130 7.4158 7.4158 7.5777 7.5777 7.5807 7.5807 9.2788 9.2788 9.2792 9.2792 12.2268 12.2268 12.2269 12.2269 12.5351 12.5351 12.5369 12.5369 k = 0.0678 0.0391 0.1863 ( 2546 PWs) bands (ev): -10.0158 -10.0158 -10.0156 -10.0156 -8.3069 -8.3069 -8.3068 -8.3068 2.2696 2.2696 2.2696 2.2696 2.5949 2.5949 2.5956 2.5956 3.0541 3.0541 3.0555 3.0555 6.2515 6.2515 6.2575 6.2575 6.4222 6.4222 6.4231 6.4231 7.1766 7.1766 7.1772 7.1772 7.4579 7.4579 7.4617 7.4617 7.6174 7.6174 7.6202 7.6202 9.2944 9.2944 9.2949 9.2949 12.2007 12.2007 12.2010 12.2010 12.5185 12.5185 12.5204 12.5204 k = 0.0763 0.0440 0.1863 ( 2546 PWs) bands (ev): -10.0027 -10.0027 -10.0025 -10.0025 -8.3138 -8.3138 -8.3136 -8.3136 2.2748 2.2748 2.2749 2.2749 2.6029 2.6029 2.6037 2.6037 3.0814 3.0814 3.0829 3.0829 6.1705 6.1705 6.1763 6.1763 6.3681 6.3681 6.3688 6.3688 7.1766 7.1766 7.1777 7.1777 7.5026 7.5026 7.5076 7.5076 7.6572 7.6572 7.6595 7.6595 9.3105 9.3105 9.3112 9.3112 12.1712 12.1712 12.1716 12.1716 12.5015 12.5015 12.5036 12.5036 k = 0.0847 0.0489 0.1863 ( 2542 PWs) bands (ev): -9.9882 -9.9882 -9.9880 -9.9880 -8.3214 -8.3214 -8.3212 -8.3212 2.2808 2.2808 2.2808 2.2808 2.6125 2.6125 2.6134 2.6134 3.1108 3.1108 3.1125 3.1125 6.0848 6.0848 6.0905 6.0905 6.3154 6.3154 6.3158 6.3158 7.1768 7.1768 7.1782 7.1782 7.5465 7.5465 7.5527 7.5527 7.6968 7.6968 7.6985 7.6985 9.3267 9.3267 9.3275 9.3275 12.1385 12.1385 12.1389 12.1389 12.4845 12.4845 12.4866 12.4866 k = 0.0932 0.0538 0.1863 ( 2558 PWs) bands (ev): -9.9723 -9.9723 -9.9721 -9.9721 -8.3297 -8.3297 -8.3295 -8.3295 2.2873 2.2873 2.2874 2.2874 2.6238 2.6238 2.6248 2.6248 3.1421 3.1421 3.1440 3.1440 5.9955 5.9955 6.0011 6.0011 6.2638 6.2638 6.2640 6.2640 7.1772 7.1772 7.1787 7.1787 7.5890 7.5890 7.5964 7.5964 7.7363 7.7363 7.7372 7.7372 9.3426 9.3426 9.3436 9.3436 12.1029 12.1029 12.1034 12.1034 12.4676 12.4676 12.4697 12.4697 k = 0.1017 0.0587 0.1863 ( 2562 PWs) bands (ev): -9.9551 -9.9551 -9.9549 -9.9549 -8.3386 -8.3386 -8.3384 -8.3384 2.2946 2.2946 2.2946 2.2946 2.6368 2.6368 2.6378 2.6378 3.1752 3.1752 3.1773 3.1773 5.9036 5.9036 5.9091 5.9091 6.2134 6.2134 6.2134 6.2134 7.1777 7.1777 7.1794 7.1794 7.6297 7.6297 7.6383 7.6383 7.7755 7.7755 7.7756 7.7756 9.3578 9.3578 9.3588 9.3588 12.0649 12.0649 12.0655 12.0655 12.4509 12.4509 12.4531 12.4531 k = 0.1102 0.0636 0.1863 ( 2560 PWs) bands (ev): -9.9365 -9.9365 -9.9363 -9.9363 -8.3482 -8.3482 -8.3479 -8.3479 2.3026 2.3026 2.3027 2.3027 2.6515 2.6515 2.6526 2.6526 3.2098 3.2098 3.2121 3.2121 5.8098 5.8098 5.8152 5.8152 6.1639 6.1639 6.1640 6.1640 7.1784 7.1784 7.1801 7.1801 7.6682 7.6682 7.6779 7.6779 7.8134 7.8134 7.8145 7.8145 9.3719 9.3719 9.3730 9.3730 12.0251 12.0251 12.0257 12.0257 12.4346 12.4346 12.4368 12.4368 k = 0.1186 0.0685 0.1863 ( 2560 PWs) bands (ev): -9.9167 -9.9167 -9.9164 -9.9164 -8.3583 -8.3583 -8.3580 -8.3580 2.3114 2.3114 2.3114 2.3114 2.6679 2.6679 2.6690 2.6690 3.2458 3.2458 3.2483 3.2483 5.7147 5.7147 5.7201 5.7201 6.1157 6.1157 6.1160 6.1160 7.1792 7.1792 7.1807 7.1807 7.7045 7.7045 7.7151 7.7151 7.8509 7.8509 7.8530 7.8530 9.3844 9.3844 9.3856 9.3856 11.9838 11.9838 11.9845 11.9845 12.4186 12.4186 12.4208 12.4208 k = 0.1271 0.0734 0.1863 ( 2558 PWs) bands (ev): -9.8956 -9.8956 -9.8953 -9.8953 -8.3690 -8.3690 -8.3687 -8.3687 2.3209 2.3209 2.3210 2.3210 2.6858 2.6858 2.6870 2.6870 3.2830 3.2830 3.2857 3.2857 5.6189 5.6189 5.6243 5.6243 6.0688 6.0688 6.0692 6.0692 7.1801 7.1801 7.1814 7.1814 7.7384 7.7384 7.7497 7.7497 7.8879 7.8879 7.8909 7.8909 9.3953 9.3953 9.3964 9.3964 11.9416 11.9416 11.9424 11.9424 12.4031 12.4031 12.4053 12.4053 k = 0.1356 0.0783 0.1863 ( 2554 PWs) bands (ev): -9.8734 -9.8734 -9.8731 -9.8731 -8.3802 -8.3802 -8.3798 -8.3798 2.3313 2.3313 2.3314 2.3314 2.7052 2.7052 2.7064 2.7064 3.3210 3.3210 3.3240 3.3240 5.5228 5.5228 5.5284 5.5284 6.0234 6.0234 6.0240 6.0240 7.1810 7.1810 7.1819 7.1819 7.7700 7.7700 7.7816 7.7816 7.9241 7.9241 7.9279 7.9279 9.4041 9.4041 9.4051 9.4051 11.8990 11.8990 11.8999 11.8999 12.3879 12.3879 12.3901 12.3901 k = 0.1441 0.0832 0.1863 ( 2550 PWs) bands (ev): -9.8500 -9.8500 -9.8497 -9.8497 -8.3918 -8.3918 -8.3914 -8.3914 2.3425 2.3425 2.3426 2.3426 2.7260 2.7260 2.7273 2.7273 3.3597 3.3597 3.3630 3.3630 5.4271 5.4271 5.4327 5.4327 5.9796 5.9796 5.9803 5.9803 7.1819 7.1819 7.1823 7.1823 7.7991 7.7991 7.8107 7.8107 7.9593 7.9593 7.9637 7.9637 9.4107 9.4107 9.4115 9.4115 11.8565 11.8565 11.8575 11.8575 12.3733 12.3733 12.3755 12.3755 k = 0.1525 0.0881 0.1863 ( 2558 PWs) bands (ev): -9.8257 -9.8257 -9.8253 -9.8253 -8.4038 -8.4038 -8.4035 -8.4035 2.3546 2.3546 2.3547 2.3547 2.7480 2.7480 2.7494 2.7494 3.3989 3.3989 3.4024 3.4024 5.3322 5.3322 5.3380 5.3380 5.9375 5.9375 5.9383 5.9383 7.1825 7.1825 7.1826 7.1826 7.8259 7.8259 7.8371 7.8371 7.9932 7.9932 7.9980 7.9980 9.4148 9.4148 9.4154 9.4154 11.8145 11.8145 11.8156 11.8156 12.3591 12.3591 12.3613 12.3613 k = 0.1610 0.0930 0.1863 ( 2562 PWs) bands (ev): -9.8003 -9.8003 -9.7999 -9.7999 -8.4162 -8.4162 -8.4158 -8.4158 2.3674 2.3674 2.3675 2.3675 2.7712 2.7712 2.7726 2.7726 3.4381 3.4381 3.4420 3.4420 5.2388 5.2388 5.2448 5.2448 5.8973 5.8973 5.8981 5.8981 7.1825 7.1825 7.1833 7.1833 7.8503 7.8503 7.8607 7.8607 8.0256 8.0256 8.0306 8.0306 9.4165 9.4165 9.4167 9.4167 11.7735 11.7735 11.7747 11.7747 12.3454 12.3454 12.3476 12.3476 k = 0.1695 0.0979 0.1863 ( 2554 PWs) bands (ev): -9.7740 -9.7740 -9.7736 -9.7736 -8.4289 -8.4289 -8.4285 -8.4285 2.3810 2.3810 2.3811 2.3811 2.7954 2.7954 2.7969 2.7969 3.4770 3.4770 3.4814 3.4814 5.1475 5.1475 5.1537 5.1537 5.8590 5.8590 5.8600 5.8600 7.1821 7.1821 7.1837 7.1837 7.8722 7.8722 7.8816 7.8816 8.0562 8.0562 8.0613 8.0613 9.4153 9.4153 9.4156 9.4156 11.7338 11.7338 11.7352 11.7352 12.3324 12.3324 12.3346 12.3346 k = 0.1780 0.1027 0.1863 ( 2554 PWs) bands (ev): -9.7469 -9.7469 -9.7465 -9.7465 -8.4418 -8.4418 -8.4414 -8.4414 2.3953 2.3953 2.3954 2.3954 2.8205 2.8205 2.8221 2.8221 3.5152 3.5152 3.5200 3.5200 5.0590 5.0590 5.0655 5.0655 5.8229 5.8229 5.8240 5.8240 7.1814 7.1814 7.1838 7.1838 7.8917 7.8917 7.8996 7.8996 8.0847 8.0847 8.0898 8.0898 9.4112 9.4112 9.4120 9.4120 11.6958 11.6958 11.6973 11.6973 12.3201 12.3201 12.3223 12.3223 k = 0.1864 0.1076 0.1863 ( 2558 PWs) bands (ev): -9.7190 -9.7190 -9.7186 -9.7186 -8.4550 -8.4550 -8.4545 -8.4545 2.4102 2.4102 2.4104 2.4104 2.8463 2.8463 2.8480 2.8480 3.5519 3.5519 3.5572 3.5572 4.9741 4.9741 4.9809 4.9809 5.7890 5.7890 5.7903 5.7903 7.1801 7.1801 7.1835 7.1835 7.9087 7.9087 7.9149 7.9149 8.1110 8.1110 8.1158 8.1158 9.4044 9.4044 9.4059 9.4059 11.6598 11.6598 11.6614 11.6614 12.3085 12.3085 12.3108 12.3108 k = 0.1949 0.1125 0.1863 ( 2556 PWs) bands (ev): -9.6905 -9.6905 -9.6900 -9.6900 -8.4682 -8.4682 -8.4677 -8.4677 2.4256 2.4256 2.4258 2.4258 2.8727 2.8727 2.8745 2.8745 3.5866 3.5866 3.5925 3.5925 4.8939 4.8939 4.9011 4.9011 5.7576 5.7576 5.7589 5.7589 7.1783 7.1783 7.1828 7.1828 7.9229 7.9229 7.9271 7.9271 8.1348 8.1348 8.1394 8.1394 9.3949 9.3949 9.3973 9.3973 11.6259 11.6259 11.6278 11.6278 12.2978 12.2978 12.3000 12.3000 k = 0.2034 0.1174 0.1863 ( 2556 PWs) bands (ev): -9.6614 -9.6614 -9.6609 -9.6609 -8.4815 -8.4815 -8.4810 -8.4810 2.4413 2.4413 2.4414 2.4414 2.8996 2.8996 2.9015 2.9015 3.6183 3.6183 3.6247 3.6247 4.8196 4.8196 4.8271 4.8271 5.7286 5.7286 5.7301 5.7301 7.1759 7.1759 7.1814 7.1814 7.9344 7.9344 7.9364 7.9364 8.1561 8.1561 8.1603 8.1603 9.3830 9.3830 9.3863 9.3863 11.5945 11.5945 11.5966 11.5966 12.2880 12.2880 12.2902 12.2902 k = 0.2119 0.1223 0.1863 ( 2558 PWs) bands (ev): -9.6318 -9.6318 -9.6312 -9.6312 -8.4948 -8.4948 -8.4942 -8.4942 2.4571 2.4571 2.4572 2.4572 2.9268 2.9268 2.9288 2.9288 3.6459 3.6459 3.6530 3.6530 4.7525 4.7525 4.7605 4.7605 5.7023 5.7023 5.7040 5.7040 7.1727 7.1727 7.1793 7.1793 7.9425 7.9425 7.9430 7.9430 8.1747 8.1747 8.1784 8.1784 9.3687 9.3687 9.3731 9.3731 11.5657 11.5657 11.5680 11.5680 12.2791 12.2791 12.2813 12.2813 k = 0.2203 0.1272 0.1863 ( 2558 PWs) bands (ev): -9.6018 -9.6018 -9.6012 -9.6012 -8.5080 -8.5080 -8.5074 -8.5074 2.4727 2.4727 2.4729 2.4729 2.9542 2.9542 2.9563 2.9563 3.6683 3.6683 3.6759 3.6759 4.6944 4.6944 4.7026 4.7026 5.6788 5.6788 5.6806 5.6806 7.1686 7.1686 7.1764 7.1764 7.9454 7.9454 7.9485 7.9485 8.1905 8.1905 8.1936 8.1936 9.3522 9.3522 9.3577 9.3577 11.5397 11.5397 11.5421 11.5421 12.2713 12.2713 12.2735 12.2735 k = 0.2288 0.1321 0.1863 ( 2562 PWs) bands (ev): -9.5716 -9.5716 -9.5710 -9.5710 -8.5211 -8.5211 -8.5205 -8.5205 2.4878 2.4878 2.4880 2.4880 2.9816 2.9816 2.9838 2.9838 3.6841 3.6841 3.6923 3.6923 4.6468 4.6468 4.6552 4.6552 5.6581 5.6581 5.6602 5.6602 7.1636 7.1636 7.1724 7.1724 7.9452 7.9452 7.9510 7.9510 8.2035 8.2035 8.2060 8.2060 9.3337 9.3337 9.3404 9.3404 11.5164 11.5164 11.5191 11.5191 12.2646 12.2646 12.2668 12.2668 k = 0.2373 0.1370 0.1863 ( 2558 PWs) bands (ev): -9.5412 -9.5412 -9.5406 -9.5406 -8.5340 -8.5340 -8.5333 -8.5333 2.5021 2.5021 2.5022 2.5022 3.0089 3.0089 3.0112 3.0112 3.6925 3.6925 3.7010 3.7010 4.6112 4.6112 4.6197 4.6197 5.6405 5.6405 5.6427 5.6427 7.1575 7.1575 7.1674 7.1674 7.9417 7.9417 7.9503 7.9503 8.2136 8.2136 8.2155 8.2155 9.3133 9.3133 9.3212 9.3212 11.4960 11.4960 11.4989 11.4989 12.2591 12.2591 12.2612 12.2612 k = 0.2458 0.1419 0.1863 ( 2548 PWs) bands (ev): -9.5107 -9.5107 -9.5101 -9.5101 -8.5465 -8.5465 -8.5458 -8.5458 2.5150 2.5150 2.5151 2.5151 3.0360 3.0360 3.0384 3.0384 3.6930 3.6930 3.7017 3.7017 4.5886 4.5886 4.5969 4.5969 5.6259 5.6259 5.6284 5.6284 7.1501 7.1501 7.1611 7.1611 7.9352 7.9352 7.9465 7.9465 8.2208 8.2208 8.2221 8.2221 9.2914 9.2914 9.3005 9.3005 11.4784 11.4784 11.4816 11.4816 12.2547 12.2547 12.2568 12.2568 k = 0.2542 0.1468 0.1863 ( 2552 PWs) bands (ev): -9.4804 -9.4804 -9.4797 -9.4797 -8.5586 -8.5586 -8.5579 -8.5579 2.5260 2.5260 2.5262 2.5262 3.0626 3.0626 3.0651 3.0651 3.6860 3.6860 3.6946 3.6946 4.5793 4.5793 4.5870 4.5870 5.6146 5.6146 5.6173 5.6173 7.1414 7.1414 7.1533 7.1533 7.9257 7.9257 7.9396 7.9396 8.2251 8.2251 8.2258 8.2258 9.2680 9.2680 9.2782 9.2782 11.4637 11.4637 11.4670 11.4670 12.2515 12.2515 12.2536 12.2536 k = 0.2627 0.1517 0.1863 ( 2544 PWs) bands (ev): -9.4503 -9.4503 -9.4496 -9.4496 -8.5703 -8.5703 -8.5696 -8.5696 2.5346 2.5346 2.5347 2.5347 3.0886 3.0886 3.0913 3.0913 3.6730 3.6730 3.6812 3.6812 4.5823 4.5823 4.5893 4.5893 5.6065 5.6065 5.6095 5.6095 7.1313 7.1313 7.1440 7.1440 7.9134 7.9134 7.9297 7.9297 8.2265 8.2265 8.2266 8.2266 9.2433 9.2433 9.2546 9.2546 11.4518 11.4518 11.4553 11.4553 12.2496 12.2496 12.2516 12.2516 k = 0.2712 0.1566 0.1863 ( 2548 PWs) bands (ev): -9.4206 -9.4206 -9.4199 -9.4199 -8.5814 -8.5814 -8.5807 -8.5807 2.5400 2.5400 2.5402 2.5402 3.1139 3.1139 3.1166 3.1166 3.6560 3.6560 3.6637 3.6637 4.5963 4.5963 4.6023 4.6023 5.6016 5.6016 5.6049 5.6049 7.1196 7.1196 7.1330 7.1330 7.8987 7.8987 7.9171 7.9171 8.2246 8.2246 8.2249 8.2249 9.2174 9.2174 9.2297 9.2297 11.4426 11.4426 11.4463 11.4463 12.2488 12.2488 12.2507 12.2507 k = 0.2797 0.1615 0.1863 ( 2548 PWs) bands (ev): -9.3914 -9.3914 -9.3907 -9.3907 -8.5919 -8.5919 -8.5911 -8.5911 2.5417 2.5417 2.5419 2.5419 3.1380 3.1380 3.1408 3.1408 3.6376 3.6376 3.6447 3.6447 4.6193 4.6193 4.6242 4.6242 5.6001 5.6001 5.6037 5.6037 7.1063 7.1063 7.1201 7.1201 7.8818 7.8818 7.9019 7.9019 8.2197 8.2197 8.2205 8.2205 9.1905 9.1905 9.2037 9.2037 11.4360 11.4360 11.4398 11.4398 12.2492 12.2492 12.2511 12.2511 k = 0.2881 0.1664 0.1863 ( 2552 PWs) bands (ev): -9.3630 -9.3630 -9.3622 -9.3622 -8.6015 -8.6015 -8.6007 -8.6007 2.5391 2.5391 2.5393 2.5393 3.1608 3.1608 3.1635 3.1635 3.6204 3.6204 3.6268 3.6268 4.6494 4.6494 4.6532 4.6532 5.6018 5.6018 5.6058 5.6058 7.0913 7.0913 7.1052 7.1052 7.8631 7.8631 7.8845 7.8845 8.2122 8.2122 8.2132 8.2132 9.1625 9.1625 9.1764 9.1764 11.4320 11.4320 11.4359 11.4359 12.2508 12.2508 12.2526 12.2526 k = 0.2966 0.1712 0.1863 ( 2552 PWs) bands (ev): -9.3353 -9.3353 -9.3345 -9.3345 -8.6103 -8.6103 -8.6094 -8.6094 2.5316 2.5316 2.5318 2.5318 3.1818 3.1818 3.1845 3.1845 3.6069 3.6069 3.6126 3.6126 4.6849 4.6849 4.6875 4.6875 5.6069 5.6069 5.6113 5.6113 7.0746 7.0746 7.0884 7.0884 7.8429 7.8429 7.8652 7.8652 8.2019 8.2019 8.2032 8.2032 9.1336 9.1336 9.1481 9.1481 11.4303 11.4303 11.4342 11.4342 12.2535 12.2535 12.2553 12.2553 k = 0.3051 0.1761 0.1863 ( 2556 PWs) bands (ev): -9.3087 -9.3087 -9.3078 -9.3078 -8.6181 -8.6181 -8.6172 -8.6172 2.5190 2.5190 2.5192 2.5192 3.2005 3.2005 3.2031 3.2031 3.5989 3.5989 3.6038 3.6038 4.7242 4.7242 4.7257 4.7257 5.6151 5.6151 5.6199 5.6199 7.0563 7.0563 7.0697 7.0697 7.8217 7.8217 7.8442 7.8442 8.1891 8.1891 8.1904 8.1904 9.1038 9.1038 9.1186 9.1186 11.4309 11.4309 11.4348 11.4348 12.2573 12.2573 12.2589 12.2589 k = 0.3136 0.1810 0.1863 ( 2552 PWs) bands (ev): -9.2833 -9.2833 -9.2824 -9.2824 -8.6248 -8.6248 -8.6239 -8.6239 2.5012 2.5012 2.5015 2.5015 3.2168 3.2168 3.2191 3.2191 3.5980 3.5980 3.6020 3.6020 4.7662 4.7662 4.7664 4.7664 5.6265 5.6265 5.6316 5.6316 7.0366 7.0366 7.0491 7.0491 7.7998 7.7998 7.8220 7.8220 8.1737 8.1737 8.1751 8.1751 9.0731 9.0731 9.0881 9.0881 11.4335 11.4335 11.4374 11.4374 12.2620 12.2620 12.2636 12.2636 k = 0.3220 0.1859 0.1863 ( 2548 PWs) bands (ev): -9.2592 -9.2592 -9.2583 -9.2583 -8.6303 -8.6303 -8.6294 -8.6294 2.4785 2.4785 2.4788 2.4788 3.2303 3.2303 3.2324 3.2324 3.6047 3.6047 3.6079 3.6079 4.8086 4.8086 4.8096 4.8096 5.6408 5.6408 5.6464 5.6464 7.0156 7.0156 7.0270 7.0270 7.7773 7.7773 7.7987 7.7987 8.1560 8.1560 8.1573 8.1573 9.0416 9.0416 9.0566 9.0566 11.4380 11.4380 11.4418 11.4418 12.2676 12.2676 12.2691 12.2691 k = 0.3305 0.1908 0.1863 ( 2552 PWs) bands (ev): -9.2366 -9.2366 -9.2357 -9.2357 -8.6345 -8.6345 -8.6336 -8.6336 2.4513 2.4513 2.4516 2.4516 3.2412 3.2412 3.2430 3.2430 3.6192 3.6192 3.6216 3.6216 4.8513 4.8513 4.8536 4.8536 5.6579 5.6579 5.6639 5.6639 6.9938 6.9938 7.0036 7.0036 7.7546 7.7546 7.7746 7.7746 8.1361 8.1361 8.1372 8.1372 9.0093 9.0093 9.0241 9.0241 11.4443 11.4443 11.4479 11.4479 12.2740 12.2740 12.2754 12.2754 k = 0.3390 0.1957 0.1863 ( 2552 PWs) bands (ev): -9.2157 -9.2157 -9.2148 -9.2148 -8.6374 -8.6374 -8.6365 -8.6365 2.4204 2.4204 2.4207 2.4207 3.2498 3.2498 3.2512 3.2512 3.6411 3.6411 3.6427 3.6427 4.8935 4.8935 4.8971 4.8971 5.6777 5.6777 5.6841 5.6841 6.9715 6.9715 6.9795 6.9795 7.7318 7.7318 7.7499 7.7499 8.1141 8.1141 8.1151 8.1151 8.9763 8.9763 8.9907 8.9907 11.4520 11.4520 11.4555 11.4555 12.2811 12.2811 12.2824 12.2824 k = 0.3475 0.2006 0.1863 ( 2550 PWs) bands (ev): -9.1965 -9.1965 -9.1956 -9.1956 -8.6389 -8.6389 -8.6379 -8.6379 2.3864 2.3864 2.3868 2.3868 3.2565 3.2565 3.2576 3.2576 3.6694 3.6694 3.6703 3.6703 4.9344 4.9344 4.9393 4.9393 5.6998 5.6998 5.7066 5.7066 6.9494 6.9494 6.9553 6.9553 7.7088 7.7088 7.7247 7.7247 8.0903 8.0903 8.0910 8.0910 8.9427 8.9427 8.9565 8.9565 11.4610 11.4610 11.4644 11.4644 12.2887 12.2887 12.2899 12.2899 k = 0.3559 0.2055 0.1863 ( 2550 PWs) bands (ev): -9.1792 -9.1792 -9.1783 -9.1783 -8.6389 -8.6389 -8.6380 -8.6380 2.3503 2.3503 2.3506 2.3506 3.2617 3.2617 3.2626 3.2626 3.7033 3.7033 3.7035 3.7035 4.9730 4.9730 4.9793 4.9793 5.7242 5.7242 5.7313 5.7313 6.9282 6.9282 6.9316 6.9316 7.6857 7.6857 7.6989 7.6989 8.0649 8.0649 8.0654 8.0654 8.9085 8.9085 8.9217 8.9217 11.4711 11.4711 11.4743 11.4743 12.2969 12.2969 12.2980 12.2980 k = 0.3644 0.2104 0.1863 ( 2546 PWs) bands (ev): -9.1638 -9.1638 -9.1629 -9.1629 -8.6375 -8.6375 -8.6366 -8.6366 2.3128 2.3128 2.3131 2.3131 3.2658 3.2658 3.2665 3.2665 3.7416 3.7416 3.7420 3.7420 5.0087 5.0087 5.0162 5.0162 5.7506 5.7506 5.7580 5.7580 6.9085 6.9085 6.9092 6.9092 7.6623 7.6623 7.6725 7.6725 8.0382 8.0382 8.0383 8.0383 8.8740 8.8740 8.8863 8.8863 11.4822 11.4822 11.4852 11.4852 12.3053 12.3053 12.3063 12.3063 k = 0.3729 0.2153 0.1863 ( 2544 PWs) bands (ev): -9.1503 -9.1503 -9.1494 -9.1494 -8.6348 -8.6348 -8.6339 -8.6339 2.2746 2.2746 2.2749 2.2749 3.2690 3.2690 3.2695 3.2695 3.7837 3.7837 3.7846 3.7846 5.0403 5.0403 5.0491 5.0491 5.7788 5.7788 5.7863 5.7863 6.8891 6.8891 6.8912 6.8912 7.6383 7.6383 7.6454 7.6454 8.0103 8.0103 8.0104 8.0104 8.8392 8.8392 8.8506 8.8506 11.4939 11.4939 11.4967 11.4967 12.3140 12.3140 12.3149 12.3149 k = 0.3814 0.2202 0.1863 ( 2546 PWs) bands (ev): -9.1387 -9.1387 -9.1378 -9.1378 -8.6309 -8.6309 -8.6301 -8.6301 2.2365 2.2365 2.2367 2.2367 3.2715 3.2715 3.2719 3.2719 3.8292 3.8292 3.8306 3.8306 5.0671 5.0671 5.0771 5.0771 5.8085 5.8085 5.8161 5.8161 6.8721 6.8721 6.8771 6.8771 7.6137 7.6137 7.6174 7.6174 7.9815 7.9815 7.9818 7.9818 8.8045 8.8045 8.8148 8.8148 11.5060 11.5060 11.5086 11.5086 12.3228 12.3228 12.3237 12.3237 k = 0.3898 0.2251 0.1863 ( 2542 PWs) bands (ev): -9.1288 -9.1288 -9.1280 -9.1280 -8.6260 -8.6260 -8.6251 -8.6251 2.1990 2.1990 2.1992 2.1992 3.2734 3.2734 3.2738 3.2738 3.8774 3.8774 3.8793 3.8793 5.0883 5.0883 5.0993 5.0993 5.8395 5.8395 5.8471 5.8471 6.8590 6.8590 6.8670 6.8670 7.5882 7.5882 7.5885 7.5885 7.9523 7.9523 7.9528 7.9528 8.7701 8.7701 8.7793 8.7793 11.5184 11.5184 11.5208 11.5208 12.3316 12.3316 12.3324 12.3324 k = 0.3983 0.2300 0.1863 ( 2540 PWs) bands (ev): -9.1205 -9.1205 -9.1198 -9.1198 -8.6202 -8.6202 -8.6194 -8.6194 2.1626 2.1626 2.1629 2.1629 3.2749 3.2749 3.2752 3.2752 3.9280 3.9280 3.9302 3.9302 5.1032 5.1032 5.1150 5.1150 5.8717 5.8717 5.8791 5.8791 6.8505 6.8505 6.8614 6.8614 7.5585 7.5585 7.5615 7.5615 7.9230 7.9230 7.9237 7.9237 8.7363 8.7363 8.7443 8.7443 11.5309 11.5309 11.5330 11.5330 12.3403 12.3403 12.3409 12.3409 k = 0.4068 0.2349 0.1863 ( 2536 PWs) bands (ev): -9.1137 -9.1137 -9.1130 -9.1130 -8.6137 -8.6137 -8.6130 -8.6130 2.1278 2.1278 2.1281 2.1281 3.2760 3.2760 3.2763 3.2763 3.9803 3.9803 3.9830 3.9830 5.1113 5.1113 5.1237 5.1237 5.9046 5.9046 5.9117 5.9117 6.8471 6.8471 6.8608 6.8608 7.5273 7.5273 7.5336 7.5336 7.8939 7.8939 7.8947 7.8947 8.7034 8.7034 8.7101 8.7101 11.5432 11.5432 11.5450 11.5450 12.3487 12.3487 12.3493 12.3493 k = 0.4153 0.2397 0.1863 ( 2540 PWs) bands (ev): -9.1083 -9.1083 -9.1076 -9.1076 -8.6069 -8.6069 -8.6062 -8.6062 2.0950 2.0950 2.0953 2.0953 3.2768 3.2768 3.2770 3.2770 4.0340 4.0340 4.0370 4.0370 5.1124 5.1124 5.1252 5.1252 5.9381 5.9381 5.9447 5.9447 6.8491 6.8491 6.8655 6.8655 7.4948 7.4948 7.5043 7.5043 7.8654 7.8654 7.8662 7.8662 8.6717 8.6717 8.6773 8.6773 11.5551 11.5551 11.5568 11.5568 12.3567 12.3567 12.3573 12.3573 k = 0.4237 0.2446 0.1863 ( 2536 PWs) bands (ev): -9.1039 -9.1039 -9.1033 -9.1033 -8.5998 -8.5998 -8.5993 -8.5993 2.0645 2.0645 2.0647 2.0647 3.2773 3.2773 3.2775 3.2775 4.0886 4.0886 4.0920 4.0920 5.1066 5.1066 5.1194 5.1194 5.9716 5.9716 5.9776 5.9776 6.8566 6.8566 6.8755 6.8755 7.4612 7.4612 7.4736 7.4736 7.8377 7.8377 7.8384 7.8384 8.6416 8.6416 8.6461 8.6461 11.5665 11.5665 11.5680 11.5680 12.3644 12.3644 12.3648 12.3648 k = 0.4322 0.2495 0.1863 ( 2540 PWs) bands (ev): -9.1005 -9.1005 -9.1000 -9.1000 -8.5929 -8.5929 -8.5924 -8.5924 2.0366 2.0366 2.0368 2.0368 3.2776 3.2776 3.2778 3.2778 4.1435 4.1435 4.1472 4.1472 5.0941 5.0941 5.1068 5.1068 6.0046 6.0046 6.0099 6.0099 6.8693 6.8693 6.8905 6.8905 7.4264 7.4264 7.4416 7.4416 7.8112 7.8112 7.8117 7.8117 8.6135 8.6135 8.6170 8.6170 11.5772 11.5772 11.5785 11.5785 12.3715 12.3715 12.3718 12.3718 k = 0.4407 0.2544 0.1863 ( 2540 PWs) bands (ev): -9.0979 -9.0979 -9.0975 -9.0975 -8.5863 -8.5863 -8.5858 -8.5858 2.0115 2.0115 2.0116 2.0116 3.2778 3.2778 3.2779 3.2779 4.1981 4.1981 4.2021 4.2021 5.0758 5.0758 5.0881 5.0881 6.0365 6.0365 6.0410 6.0410 6.8868 6.8868 6.9099 6.9099 7.3909 7.3909 7.4085 7.4085 7.7861 7.7861 7.7864 7.7864 8.5877 8.5877 8.5903 8.5903 11.5870 11.5870 11.5881 11.5881 12.3779 12.3779 12.3782 12.3782 k = 0.4492 0.2593 0.1863 ( 2540 PWs) bands (ev): -9.0960 -9.0960 -9.0956 -9.0956 -8.5801 -8.5801 -8.5797 -8.5797 1.9893 1.9893 1.9894 1.9894 3.2778 3.2778 3.2779 3.2779 4.2517 4.2517 4.2559 4.2559 5.0527 5.0527 5.0643 5.0643 6.0665 6.0665 6.0703 6.0703 6.9086 6.9086 6.9333 6.9333 7.3547 7.3547 7.3745 7.3745 7.7628 7.7628 7.7629 7.7629 8.5646 8.5646 8.5665 8.5665 11.5959 11.5959 11.5968 11.5968 12.3837 12.3837 12.3840 12.3840 k = 0.4576 0.2642 0.1863 ( 2544 PWs) bands (ev): -9.0945 -9.0945 -9.0942 -9.0942 -8.5746 -8.5746 -8.5742 -8.5742 1.9703 1.9703 1.9704 1.9704 3.2777 3.2777 3.2778 3.2778 4.3033 4.3033 4.3076 4.3076 5.0262 5.0262 5.0369 5.0369 6.0939 6.0939 6.0970 6.0970 6.9338 6.9338 6.9596 6.9596 7.3185 7.3185 7.3401 7.3401 7.7416 7.7416 7.7417 7.7417 8.5445 8.5445 8.5457 8.5457 11.6035 11.6035 11.6043 11.6043 12.3887 12.3887 12.3889 12.3889 k = 0.4661 0.2691 0.1863 ( 2552 PWs) bands (ev): -9.0935 -9.0935 -9.0933 -9.0933 -8.5698 -8.5698 -8.5696 -8.5696 1.9546 1.9546 1.9547 1.9547 3.2776 3.2776 3.2777 3.2777 4.3514 4.3514 4.3556 4.3556 4.9982 4.9982 5.0076 5.0076 6.1178 6.1178 6.1202 6.1202 6.9616 6.9616 6.9878 6.9878 7.2828 7.2828 7.3055 7.3055 7.7232 7.7232 7.7234 7.7234 8.5277 8.5277 8.5284 8.5284 11.6100 11.6100 11.6106 11.6106 12.3929 12.3929 12.3930 12.3930 k = 0.4746 0.2740 0.1863 ( 2554 PWs) bands (ev): -9.0928 -9.0928 -9.0926 -9.0926 -8.5660 -8.5660 -8.5658 -8.5658 1.9423 1.9423 1.9423 1.9423 3.2775 3.2775 3.2775 3.2775 4.3942 4.3942 4.3980 4.3980 4.9710 4.9710 4.9788 4.9788 6.1375 6.1375 6.1392 6.1392 6.9908 6.9908 7.0164 7.0164 7.2488 7.2488 7.2717 7.2717 7.7081 7.7081 7.7083 7.7083 8.5143 8.5143 8.5147 8.5147 11.6151 11.6151 11.6156 11.6156 12.3962 12.3962 12.3963 12.3963 k = 0.4831 0.2789 0.1863 ( 2552 PWs) bands (ev): -9.0923 -9.0923 -9.0922 -9.0922 -8.5632 -8.5632 -8.5631 -8.5631 1.9334 1.9334 1.9335 1.9335 3.2774 3.2774 3.2774 3.2774 4.4290 4.4290 4.4320 4.4320 4.9479 4.9479 4.9535 4.9535 6.1522 6.1522 6.1533 6.1533 7.0200 7.0200 7.0428 7.0428 7.2187 7.2187 7.2396 7.2396 7.6968 7.6968 7.6970 7.6970 8.5046 8.5046 8.5048 8.5048 11.6189 11.6189 11.6192 11.6192 12.3986 12.3986 12.3986 12.3986 k = 0.4915 0.2838 0.1863 ( 2556 PWs) bands (ev): -9.0921 -9.0921 -9.0920 -9.0920 -8.5615 -8.5615 -8.5615 -8.5615 1.9281 1.9281 1.9281 1.9281 3.2773 3.2773 3.2774 3.2774 4.4525 4.4525 4.4541 4.4541 4.9324 4.9324 4.9354 4.9354 6.1614 6.1614 6.1619 6.1619 7.0461 7.0461 7.0612 7.0612 7.1980 7.1980 7.2121 7.2121 7.6899 7.6899 7.6900 7.6900 8.4988 8.4988 8.4989 8.4989 11.6212 11.6212 11.6213 11.6213 12.4000 12.4000 12.4001 12.4001 k = 0.5000 0.2887 0.1863 ( 2556 PWs) bands (ev): -9.0919 -9.0919 -9.0919 -9.0919 -8.5609 -8.5609 -8.5609 -8.5609 1.9263 1.9263 1.9263 1.9263 3.2773 3.2773 3.2773 3.2773 4.4614 4.4614 4.4614 4.4614 4.9278 4.9278 4.9278 4.9278 6.1646 6.1646 6.1646 6.1646 7.0628 7.0628 7.0628 7.0628 7.1954 7.1954 7.1954 7.1954 7.6876 7.6876 7.6876 7.6876 8.4968 8.4968 8.4968 8.4968 11.6220 11.6220 11.6220 11.6220 12.4005 12.4005 12.4005 12.4005 k = 0.5000 0.2887 0.1863 ( 2556 PWs) bands (ev): -9.0919 -9.0919 -9.0919 -9.0919 -8.5609 -8.5609 -8.5609 -8.5609 1.9263 1.9263 1.9263 1.9263 3.2773 3.2773 3.2773 3.2773 4.4614 4.4614 4.4614 4.4614 4.9278 4.9278 4.9278 4.9278 6.1646 6.1646 6.1646 6.1646 7.0628 7.0628 7.0628 7.0628 7.1954 7.1954 7.1954 7.1954 7.6876 7.6876 7.6876 7.6876 8.4968 8.4968 8.4968 8.4968 11.6220 11.6220 11.6220 11.6220 12.4005 12.4005 12.4005 12.4005 k = 0.4951 0.2972 0.1863 ( 2556 PWs) bands (ev): -9.0921 -9.0921 -9.0910 -9.0910 -8.5618 -8.5618 -8.5606 -8.5606 1.9270 1.9270 1.9287 1.9287 3.2744 3.2744 3.2795 3.2795 4.4553 4.4553 4.4685 4.4685 4.9216 4.9216 4.9356 4.9356 6.1556 6.1556 6.1597 6.1597 7.0428 7.0428 7.0779 7.0779 7.1787 7.1787 7.2165 7.2165 7.6891 7.6891 7.6929 7.6929 8.4986 8.4986 8.4988 8.4988 11.6200 11.6200 11.6234 11.6234 12.3984 12.3984 12.3998 12.3998 k = 0.4902 0.3057 0.1863 ( 2552 PWs) bands (ev): -9.0913 -9.0913 -9.0891 -9.0891 -8.5633 -8.5633 -8.5608 -8.5608 1.9306 1.9306 1.9340 1.9340 3.2707 3.2707 3.2809 3.2809 4.4502 4.4502 4.4765 4.4765 4.9168 4.9168 4.9447 4.9447 6.1330 6.1330 6.1413 6.1413 7.0208 7.0208 7.0815 7.0815 7.1732 7.1732 7.2390 7.2390 7.6971 7.6971 7.7051 7.7051 8.5040 8.5040 8.5046 8.5046 11.6174 11.6174 11.6244 11.6244 12.3935 12.3935 12.3963 12.3963 k = 0.4853 0.3141 0.1863 ( 2544 PWs) bands (ev): -9.0896 -9.0896 -9.0864 -9.0864 -8.5654 -8.5654 -8.5616 -8.5616 1.9373 1.9373 1.9424 1.9424 3.2662 3.2662 3.2815 3.2815 4.4462 4.4462 4.4855 4.4855 4.9134 4.9134 4.9552 4.9552 6.0979 6.0979 6.1102 6.1102 6.9972 6.9972 7.0692 7.0692 7.1831 7.1831 7.2619 7.2619 7.7108 7.7108 7.7237 7.7237 8.5130 8.5130 8.5140 8.5140 11.6144 11.6144 11.6248 11.6248 12.3858 12.3858 12.3900 12.3900 k = 0.4804 0.3226 0.1863 ( 2548 PWs) bands (ev): -9.0871 -9.0871 -9.0828 -9.0828 -8.5680 -8.5680 -8.5630 -8.5630 1.9469 1.9469 1.9537 1.9537 3.2610 3.2610 3.2813 3.2813 4.4432 4.4432 4.4954 4.4954 4.9113 4.9113 4.9670 4.9670 6.0518 6.0518 6.0680 6.0680 6.9721 6.9721 7.0466 7.0466 7.2023 7.2023 7.2843 7.2843 7.7295 7.7295 7.7479 7.7479 8.5256 8.5256 8.5271 8.5271 11.6108 11.6108 11.6248 11.6248 12.3755 12.3755 12.3811 12.3811 k = 0.4755 0.3311 0.1863 ( 2552 PWs) bands (ev): -9.0838 -9.0838 -9.0784 -9.0784 -8.5712 -8.5712 -8.5649 -8.5649 1.9594 1.9594 1.9680 1.9680 3.2552 3.2552 3.2805 3.2805 4.4412 4.4412 4.5060 4.5060 4.9106 4.9106 4.9800 4.9800 5.9963 5.9963 6.0164 6.0164 6.9455 6.9455 7.0190 7.0190 7.2248 7.2248 7.3057 7.3057 7.7522 7.7522 7.7768 7.7768 8.5416 8.5416 8.5438 8.5438 11.6068 11.6068 11.6242 11.6242 12.3626 12.3626 12.3697 12.3697 k = 0.4706 0.3396 0.1863 ( 2546 PWs) bands (ev): -9.0796 -9.0796 -9.0731 -9.0731 -8.5749 -8.5749 -8.5673 -8.5673 1.9748 1.9748 1.9853 1.9853 3.2488 3.2488 3.2791 3.2791 4.4401 4.4401 4.5173 4.5173 4.9111 4.9111 4.9940 4.9940 5.9330 5.9330 5.9571 5.9571 6.9176 6.9176 6.9889 6.9889 7.2476 7.2476 7.3257 7.3257 7.7781 7.7781 7.8095 7.8095 8.5608 8.5608 8.5639 8.5639 11.6023 11.6023 11.6233 11.6233 12.3475 12.3475 12.3559 12.3559 k = 0.4657 0.3481 0.1863 ( 2546 PWs) bands (ev): -9.0747 -9.0747 -9.0670 -9.0670 -8.5791 -8.5791 -8.5703 -8.5703 1.9930 1.9930 2.0055 2.0055 3.2418 3.2418 3.2771 3.2771 4.4399 4.4399 4.5292 4.5292 4.9127 4.9127 5.0089 5.0089 5.8633 5.8633 5.8917 5.8917 6.8886 6.8886 6.9574 6.9574 7.2692 7.2692 7.3436 7.3436 7.8065 7.8065 7.8452 7.8452 8.5829 8.5829 8.5872 8.5872 11.5974 11.5974 11.6221 11.6221 12.3301 12.3301 12.3401 12.3401 k = 0.4608 0.3566 0.1863 ( 2542 PWs) bands (ev): -9.0689 -9.0689 -9.0602 -9.0602 -8.5839 -8.5839 -8.5738 -8.5738 2.0141 2.0141 2.0286 2.0286 3.2344 3.2344 3.2747 3.2747 4.4404 4.4404 4.5414 4.5414 4.9153 4.9153 5.0244 5.0244 5.7888 5.7888 5.8216 5.8216 6.8588 6.8588 6.9250 6.9250 7.2884 7.2884 7.3591 7.3591 7.8370 7.8370 7.8829 7.8829 8.6076 8.6076 8.6133 8.6133 11.5922 11.5922 11.6205 11.6205 12.3107 12.3107 12.3223 12.3223 k = 0.4559 0.3651 0.1863 ( 2542 PWs) bands (ev): -9.0624 -9.0624 -9.0526 -9.0526 -8.5891 -8.5891 -8.5778 -8.5778 2.0379 2.0379 2.0545 2.0545 3.2267 3.2267 3.2720 3.2720 4.4416 4.4416 4.5539 4.5539 4.9185 4.9185 5.0402 5.0402 5.7106 5.7106 5.7482 5.7482 6.8284 6.8284 6.8922 6.8922 7.3048 7.3048 7.3719 7.3719 7.8691 7.8691 7.9222 7.9222 8.6346 8.6346 8.6418 8.6418 11.5868 11.5868 11.6188 11.6188 12.2896 12.2896 12.3028 12.3028 k = 0.4510 0.3736 0.1863 ( 2538 PWs) bands (ev): -9.0553 -9.0553 -9.0442 -9.0442 -8.5948 -8.5948 -8.5822 -8.5822 2.0643 2.0643 2.0832 2.0832 3.2187 3.2187 3.2689 3.2689 4.4432 4.4432 4.5664 4.5664 4.9224 4.9224 5.0559 5.0559 5.6299 5.6299 5.6728 5.6728 6.7977 6.7977 6.8592 6.8592 7.3178 7.3178 7.3818 7.3818 7.9027 7.9027 7.9624 7.9624 8.6634 8.6634 8.6722 8.6722 11.5812 11.5812 11.6169 11.6169 12.2670 12.2670 12.2818 12.2818 k = 0.4461 0.3821 0.1863 ( 2538 PWs) bands (ev): -9.0474 -9.0474 -9.0352 -9.0352 -8.6010 -8.6010 -8.5871 -8.5871 2.0933 2.0933 2.1147 2.1147 3.2104 3.2104 3.2658 3.2658 4.4451 4.4451 4.5787 4.5787 4.9265 4.9265 5.0705 5.0705 5.5480 5.5480 5.5969 5.5969 6.7670 6.7670 6.8262 6.8262 7.3274 7.3274 7.3886 7.3886 7.9373 7.9373 8.0031 8.0031 8.6936 8.6936 8.7041 8.7041 11.5755 11.5755 11.6150 11.6150 12.2430 12.2430 12.2596 12.2596 k = 0.4412 0.3906 0.1863 ( 2542 PWs) bands (ev): -9.0389 -9.0389 -9.0256 -9.0256 -8.6075 -8.6075 -8.5924 -8.5924 2.1248 2.1248 2.1488 2.1488 3.2021 3.2021 3.2626 3.2626 4.4470 4.4470 4.5903 4.5903 4.9304 4.9304 5.0830 5.0830 5.4664 5.4664 5.5221 5.5221 6.7365 6.7365 6.7934 6.7934 7.3335 7.3335 7.3925 7.3925 7.9729 7.9729 8.0440 8.0440 8.7247 8.7247 8.7367 8.7367 11.5698 11.5698 11.6132 11.6132 12.2181 12.2181 12.2365 12.2365 k = 0.4363 0.3991 0.1863 ( 2534 PWs) bands (ev): -9.0299 -9.0299 -9.0154 -9.0154 -8.6145 -8.6145 -8.5981 -8.5981 2.1587 2.1587 2.1855 2.1855 3.1937 3.1937 3.2595 3.2595 4.4486 4.4486 4.6008 4.6008 4.9339 4.9339 5.0907 5.0907 5.3872 5.3872 5.4508 5.4508 6.7063 6.7063 6.7610 6.7610 7.3362 7.3362 7.3936 7.3936 8.0092 8.0092 8.0849 8.0849 8.7562 8.7562 8.7697 8.7697 11.5644 11.5644 11.6115 11.6115 12.1923 12.1923 12.2126 12.2126 k = 0.4314 0.4075 0.1863 ( 2534 PWs) bands (ev): -9.0203 -9.0203 -9.0047 -9.0047 -8.6218 -8.6218 -8.6042 -8.6042 2.1948 2.1948 2.2246 2.2246 3.1853 3.1853 3.2565 3.2565 4.4494 4.4494 4.6093 4.6093 4.9363 4.9363 5.0892 5.0892 5.3137 5.3137 5.3869 5.3869 6.6766 6.6766 6.7291 6.7291 7.3357 7.3357 7.3918 7.3918 8.0460 8.0460 8.1255 8.1255 8.7875 8.7875 8.8026 8.8026 11.5592 11.5592 11.6102 11.6102 12.1658 12.1658 12.1882 12.1882 k = 0.4265 0.4160 0.1863 ( 2530 PWs) bands (ev): -9.0103 -9.0103 -8.9934 -8.9934 -8.6294 -8.6294 -8.6106 -8.6106 2.2330 2.2330 2.2661 2.2661 3.1770 3.1770 3.2539 3.2539 4.4487 4.4487 4.6147 4.6147 4.9366 4.9366 5.0711 5.0711 5.2496 5.2496 5.3371 5.3371 6.6474 6.6474 6.6978 6.6978 7.3322 7.3322 7.3876 7.3876 8.0831 8.0831 8.1657 8.1657 8.8183 8.8183 8.8347 8.8347 11.5545 11.5545 11.6092 11.6092 12.1390 12.1390 12.1635 12.1635 k = 0.4216 0.4245 0.1863 ( 2522 PWs) bands (ev): -8.9998 -8.9998 -8.9817 -8.9817 -8.6373 -8.6373 -8.6172 -8.6172 2.2731 2.2731 2.3099 2.3099 3.1688 3.1688 3.2517 3.2517 4.4456 4.4456 4.6153 4.6153 4.9336 4.9336 5.0327 5.0327 5.1962 5.1962 5.3082 5.3082 6.6187 6.6187 6.6672 6.6672 7.3261 7.3261 7.3810 7.3810 8.1203 8.1203 8.2053 8.2053 8.8481 8.8481 8.8658 8.8658 11.5503 11.5503 11.6088 11.6088 12.1119 12.1119 12.1387 12.1387 k = 0.4167 0.4330 0.1863 ( 2522 PWs) bands (ev): -8.9890 -8.9890 -8.9697 -8.9697 -8.6455 -8.6455 -8.6242 -8.6242 2.3150 2.3150 2.3558 2.3558 3.1607 3.1607 3.2499 3.2499 4.4389 4.4389 4.6086 4.6086 4.9240 4.9240 4.9835 4.9835 5.1523 5.1523 5.2991 5.2991 6.5907 6.5907 6.6376 6.6376 7.3177 7.3177 7.3723 7.3723 8.1575 8.1575 8.2442 8.2442 8.8766 8.8766 8.8954 8.8954 11.5469 11.5469 11.6090 11.6090 12.0847 12.0847 12.1139 12.1139 k = 0.4118 0.4415 0.1863 ( 2526 PWs) bands (ev): -8.9779 -8.9779 -8.9574 -8.9574 -8.6539 -8.6539 -8.6313 -8.6313 2.3584 2.3584 2.4037 2.4037 3.1528 3.1528 3.2488 3.2488 4.4268 4.4268 4.5914 4.5914 4.8970 4.8970 4.9462 4.9462 5.1187 5.1187 5.3025 5.3025 6.5633 6.5633 6.6089 6.6089 7.3073 7.3073 7.3618 7.3618 8.1943 8.1943 8.2822 8.2822 8.9033 8.9033 8.9232 8.9232 11.5443 11.5443 11.6099 11.6099 12.0576 12.0576 12.0893 12.0893 k = 0.4069 0.4500 0.1863 ( 2526 PWs) bands (ev): -8.9666 -8.9666 -8.9449 -8.9449 -8.6624 -8.6624 -8.6387 -8.6387 2.4031 2.4031 2.4533 2.4533 3.1452 3.1452 3.2485 3.2485 4.4074 4.4074 4.5613 4.5613 4.8533 4.8533 4.9305 4.9305 5.0961 5.0961 5.3120 5.3120 6.5367 6.5367 6.5815 6.5815 7.2952 7.2952 7.3496 7.3496 8.2307 8.2307 8.3192 8.3192 8.9282 8.9282 8.9490 8.9490 11.5427 11.5427 11.6116 11.6116 12.0307 12.0307 12.0650 12.0650 k = 0.4020 0.4585 0.1863 ( 2526 PWs) bands (ev): -8.9552 -8.9552 -8.9322 -8.9322 -8.6711 -8.6711 -8.6461 -8.6461 2.4489 2.4489 2.5046 2.5046 3.1378 3.1378 3.2490 3.2490 4.3788 4.3788 4.5175 4.5175 4.8131 4.8131 4.9241 4.9241 5.0826 5.0826 5.3242 5.3242 6.5107 6.5107 6.5553 6.5553 7.2818 7.2818 7.3360 7.3360 8.2664 8.2664 8.3551 8.3551 8.9508 8.9508 8.9724 8.9724 11.5422 11.5422 11.6143 11.6143 12.0041 12.0041 12.0412 12.0412 k = 0.3971 0.4670 0.1863 ( 2534 PWs) bands (ev): -8.9437 -8.9437 -8.9194 -8.9194 -8.6799 -8.6799 -8.6537 -8.6537 2.4953 2.4953 2.5571 2.5571 3.1306 3.1306 3.2504 3.2504 4.3404 4.3404 4.4623 4.4623 4.7832 4.7832 4.9235 4.9235 5.0754 5.0754 5.3373 5.3373 6.4855 6.4855 6.5305 6.5305 7.2673 7.2673 7.3212 7.3212 8.3013 8.3013 8.3898 8.3898 8.9712 8.9712 8.9934 8.9934 11.5429 11.5429 11.6179 11.6179 11.9780 11.9780 12.0179 12.0179 k = 0.3922 0.4755 0.1863 ( 2526 PWs) bands (ev): -8.9321 -8.9321 -8.9066 -8.9066 -8.6887 -8.6887 -8.6613 -8.6613 2.5420 2.5420 2.6107 2.6107 3.1238 3.1238 3.2529 3.2529 4.2928 4.2928 4.3994 4.3994 4.7640 4.7640 4.9277 4.9277 5.0722 5.0722 5.3503 5.3503 6.4613 6.4613 6.5073 6.5073 7.2521 7.2521 7.3056 7.3056 8.3353 8.3353 8.4231 8.4231 8.9891 8.9891 9.0118 9.0118 11.5449 11.5449 11.6225 11.6225 11.9524 11.9524 11.9953 11.9953 k = 0.3873 0.4840 0.1863 ( 2526 PWs) bands (ev): -8.9207 -8.9207 -8.8940 -8.8940 -8.6974 -8.6974 -8.6689 -8.6689 2.5886 2.5886 2.6650 2.6650 3.1172 3.1172 3.2565 3.2565 4.2380 4.2380 4.3325 4.3325 4.7537 4.7537 4.9351 4.9351 5.0716 5.0716 5.3623 5.3623 6.4382 6.4382 6.4856 6.4856 7.2364 7.2364 7.2893 7.2893 8.3680 8.3680 8.4549 8.4549 9.0046 9.0046 9.0276 9.0276 11.5483 11.5483 11.6280 11.6280 11.9274 11.9274 11.9734 11.9734 k = 0.3824 0.4924 0.1863 ( 2522 PWs) bands (ev): -8.9095 -8.9095 -8.8816 -8.8816 -8.7060 -8.7060 -8.6765 -8.6765 2.6347 2.6347 2.7195 2.7195 3.1112 3.1112 3.2614 3.2614 4.1784 4.1784 4.2643 4.2643 4.7502 4.7502 4.9444 4.9444 5.0729 5.0729 5.3730 5.3730 6.4164 6.4164 6.4655 6.4655 7.2207 7.2207 7.2725 7.2725 8.3995 8.3995 8.4850 8.4850 9.0178 9.0178 9.0408 9.0408 11.5530 11.5530 11.6345 11.6345 11.9031 11.9031 11.9522 11.9522 k = 0.3775 0.5009 0.1863 ( 2522 PWs) bands (ev): -8.8985 -8.8985 -8.8696 -8.8696 -8.7144 -8.7144 -8.6840 -8.6840 2.6796 2.6796 2.7735 2.7735 3.1057 3.1057 3.2674 3.2674 4.1163 4.1163 4.1967 4.1967 4.7517 4.7517 4.9539 4.9539 5.0760 5.0760 5.3817 5.3817 6.3961 6.3961 6.4470 6.4470 7.2051 7.2051 7.2557 7.2557 8.4294 8.4294 8.5133 8.5133 9.0285 9.0285 9.0513 9.0513 11.5591 11.5591 11.6419 11.6419 11.8796 11.8796 11.9318 11.9318 k = 0.3725 0.5094 0.1863 ( 2518 PWs) bands (ev): -8.8878 -8.8878 -8.8581 -8.8581 -8.7225 -8.7225 -8.6913 -8.6913 2.7229 2.7229 2.8262 2.8262 3.1013 3.1013 3.2744 3.2744 4.0539 4.0539 4.1312 4.1312 4.7568 4.7568 4.9625 4.9625 5.0811 5.0811 5.3883 5.3883 6.3777 6.3777 6.4302 6.4302 7.1900 7.1900 7.2391 7.2391 8.4575 8.4575 8.5396 8.5396 9.0371 9.0371 9.0594 9.0594 11.5665 11.5665 11.6499 11.6499 11.8572 11.8572 11.9123 11.9123 k = 0.3676 0.5179 0.1863 ( 2522 PWs) bands (ev): -8.8776 -8.8776 -8.8473 -8.8473 -8.7301 -8.7301 -8.6984 -8.6984 2.7640 2.7640 2.8760 2.8760 3.0988 3.0988 3.2822 3.2822 3.9931 3.9931 4.0688 4.0688 4.7645 4.7645 4.9688 4.9688 5.0887 5.0887 5.3924 5.3924 6.3612 6.3612 6.4152 6.4152 7.1756 7.1756 7.2228 7.2228 8.4836 8.4836 8.5637 8.5637 9.0437 9.0437 9.0651 9.0651 11.5752 11.5752 11.6584 11.6584 11.8358 11.8358 11.8937 11.8937 k = 0.3627 0.5264 0.1863 ( 2522 PWs) bands (ev): -8.8680 -8.8680 -8.8375 -8.8375 -8.7370 -8.7370 -8.7053 -8.7053 2.8023 2.8023 2.9204 2.9204 3.1000 3.1000 3.2901 3.2901 3.9358 3.9358 4.0105 4.0105 4.7739 4.7739 4.9723 4.9723 5.0986 5.0986 5.3939 5.3939 6.3470 6.3470 6.4019 6.4019 7.1623 7.1623 7.2074 7.2074 8.5074 8.5074 8.5854 8.5854 9.0485 9.0485 9.0687 9.0687 11.5851 11.5851 11.6671 11.6671 11.8160 11.8160 11.8761 11.8761 k = 0.3578 0.5349 0.1863 ( 2530 PWs) bands (ev): -8.8591 -8.8591 -8.8291 -8.8291 -8.7428 -8.7428 -8.7118 -8.7118 2.8373 2.8373 2.9553 2.9553 3.1080 3.1080 3.2971 3.2971 3.8840 3.8840 3.9574 3.9574 4.7845 4.7845 4.9728 4.9728 5.1105 5.1105 5.3930 5.3930 6.3352 6.3352 6.3905 6.3905 7.1504 7.1504 7.1932 7.1932 8.5287 8.5287 8.6043 8.6043 9.0518 9.0518 9.0705 9.0705 11.5961 11.5961 11.6752 11.6752 11.7981 11.7981 11.8594 11.8594 k = 0.3529 0.5434 0.1863 ( 2522 PWs) bands (ev): -8.8509 -8.8509 -8.8224 -8.8224 -8.7471 -8.7471 -8.7179 -8.7179 2.8687 2.8687 2.9765 2.9765 3.1260 3.1260 3.3017 3.3017 3.8397 3.8397 3.9105 3.9105 4.7954 4.7954 4.9707 4.9707 5.1235 5.1235 5.3899 5.3899 6.3257 6.3257 6.3811 6.3811 7.1401 7.1401 7.1804 7.1804 8.5470 8.5470 8.6204 8.6204 9.0540 9.0540 9.0707 9.0707 11.6079 11.6079 11.6817 11.6817 11.7832 11.7832 11.8440 11.8440 k = 0.3480 0.5519 0.1863 ( 2522 PWs) bands (ev): -8.8438 -8.8438 -8.8181 -8.8181 -8.7496 -8.7496 -8.7234 -8.7234 2.8961 2.8961 2.9839 2.9839 3.1525 3.1525 3.3024 3.3024 3.8048 3.8048 3.8713 3.8713 4.8060 4.8060 4.9670 4.9670 5.1362 5.1362 5.3853 5.3853 6.3187 6.3187 6.3736 6.3736 7.1317 7.1317 7.1697 7.1697 8.5619 8.5619 8.6334 8.6334 9.0553 9.0553 9.0699 9.0699 11.6203 11.6203 11.6851 11.6851 11.7725 11.7725 11.8301 11.8301 k = 0.3431 0.5604 0.1863 ( 2522 PWs) bands (ev): -8.8378 -8.8378 -8.8162 -8.8162 -8.7502 -8.7502 -8.7281 -8.7281 2.9194 2.9194 2.9820 2.9820 3.1812 3.1812 3.2983 3.2983 3.7807 3.7807 3.8413 3.8413 4.8153 4.8153 4.9625 4.9625 5.1474 5.1474 5.3801 5.3801 6.3138 6.3138 6.3682 6.3682 7.1256 7.1256 7.1613 7.1613 8.5731 8.5731 8.6429 8.6429 9.0560 9.0560 9.0684 9.0684 11.6328 11.6328 11.6838 11.6838 11.7673 11.7673 11.8181 11.8181 k = 0.3382 0.5689 0.1863 ( 2528 PWs) bands (ev): -8.8337 -8.8337 -8.8160 -8.8160 -8.7494 -8.7494 -8.7315 -8.7315 2.9376 2.9376 2.9751 2.9751 3.2049 3.2049 3.2908 3.2908 3.7674 3.7674 3.8224 3.8224 4.8219 4.8219 4.9588 4.9588 5.1552 5.1552 5.3759 5.3759 6.3110 6.3110 6.3650 6.3650 7.1217 7.1217 7.1559 7.1559 8.5800 8.5800 8.6487 8.6487 9.0564 9.0564 9.0671 9.0671 11.6439 11.6439 11.6787 11.6787 11.7666 11.7666 11.8094 11.8094 k = 0.3333 0.5774 0.1863 ( 2532 PWs) bands (ev): -8.8321 -8.8321 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9463 2.9463 2.9700 2.9700 3.2147 3.2147 3.2865 3.2865 3.7634 3.7634 3.8160 3.8160 4.8244 4.8244 4.9573 4.9573 5.1580 5.1580 5.3741 5.3741 6.3101 6.3101 6.3639 6.3639 7.1204 7.1204 7.1540 7.1540 8.5824 8.5824 8.6507 8.6507 9.0565 9.0565 9.0665 9.0665 11.6495 11.6495 11.6750 11.6750 11.7671 11.7671 11.8061 11.8061 k = 0.3333 0.5774 0.1863 ( 2532 PWs) bands (ev): -8.8321 -8.8321 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9463 2.9463 2.9700 2.9700 3.2147 3.2147 3.2865 3.2865 3.7634 3.7634 3.8160 3.8160 4.8244 4.8244 4.9573 4.9573 5.1580 5.1580 5.3741 5.3741 6.3101 6.3101 6.3639 6.3639 7.1204 7.1204 7.1540 7.1540 8.5824 8.5824 8.6507 8.6507 9.0565 9.0565 9.0665 9.0665 11.6495 11.6495 11.6750 11.6750 11.7671 11.7671 11.8061 11.8061 k = 0.3284 0.5689 0.1863 ( 2520 PWs) bands (ev): -8.8336 -8.8336 -8.8159 -8.8159 -8.7496 -8.7496 -8.7316 -8.7316 2.9381 2.9381 2.9748 2.9748 3.2055 3.2055 3.2907 3.2907 3.7671 3.7671 3.8218 3.8218 4.8217 4.8217 4.9590 4.9590 5.1550 5.1550 5.3762 5.3762 6.3110 6.3110 6.3650 6.3650 7.1218 7.1218 7.1560 7.1560 8.5800 8.5800 8.6487 8.6487 9.0565 9.0565 9.0672 9.0672 11.6439 11.6439 11.6788 11.6788 11.7666 11.7666 11.8094 11.8094 k = 0.3235 0.5604 0.1863 ( 2528 PWs) bands (ev): -8.8375 -8.8375 -8.8150 -8.8150 -8.7515 -8.7515 -8.7285 -8.7285 2.9220 2.9220 2.9810 2.9810 3.1852 3.1852 3.2980 3.2980 3.7778 3.7778 3.8372 3.8372 4.8133 4.8133 4.9637 4.9637 5.1462 5.1462 5.3823 5.3823 6.3135 6.3135 6.3681 6.3681 7.1260 7.1260 7.1625 7.1625 8.5727 8.5727 8.6424 8.6424 9.0568 9.0568 9.0691 9.0691 11.6324 11.6324 11.6844 11.6844 11.7667 11.7667 11.8177 11.8177 k = 0.3186 0.5519 0.1863 ( 2532 PWs) bands (ev): -8.8427 -8.8427 -8.8143 -8.8143 -8.7539 -8.7539 -8.7248 -8.7248 2.9032 2.9032 2.9833 2.9833 3.1625 3.1625 3.3035 3.3035 3.7948 3.7948 3.8589 3.8589 4.8002 4.8002 4.9699 4.9699 5.1333 5.1333 5.3920 5.3920 6.3176 6.3176 6.3732 6.3732 7.1335 7.1335 7.1736 7.1736 8.5606 8.5606 8.6320 8.6320 9.0579 9.0579 9.0721 9.0721 11.6195 11.6195 11.6864 11.6864 11.7706 11.7706 11.8286 11.8286 k = 0.3137 0.5434 0.1863 ( 2524 PWs) bands (ev): -8.8484 -8.8484 -8.8141 -8.8141 -8.7563 -8.7563 -8.7212 -8.7212 2.8829 2.8829 2.9797 2.9797 3.1423 3.1423 3.3061 3.3061 3.8166 3.8166 3.8840 3.8840 4.7835 4.7835 4.9747 4.9747 5.1195 5.1195 5.4041 5.4041 6.3235 6.3235 6.3801 6.3801 7.1445 7.1445 7.1893 7.1893 8.5441 8.5441 8.6174 8.6174 9.0600 9.0600 9.0760 9.0760 11.6061 11.6061 11.6837 11.6837 11.7792 11.7792 11.8408 11.8408 k = 0.3088 0.5349 0.1863 ( 2528 PWs) bands (ev): -8.8545 -8.8545 -8.8145 -8.8145 -8.7590 -8.7590 -8.7179 -8.7179 2.8618 2.8618 2.9694 2.9694 3.1275 3.1275 3.3064 3.3064 3.8415 3.8415 3.9105 3.9105 4.7641 4.7641 4.9743 4.9743 5.1090 5.1090 5.4173 5.4173 6.3312 6.3312 6.3888 6.3888 7.1594 7.1594 7.2097 7.2097 8.5235 8.5235 8.5989 8.5989 9.0632 9.0632 9.0804 9.0804 11.5929 11.5929 11.6774 11.6774 11.7915 11.7915 11.8534 11.8534 k = 0.3039 0.5264 0.1863 ( 2528 PWs) bands (ev): -8.8607 -8.8607 -8.8155 -8.8155 -8.7618 -8.7618 -8.7152 -8.7152 2.8407 2.8407 2.9532 2.9532 3.1186 3.1186 3.3052 3.3052 3.8676 3.8676 3.9368 3.9368 4.7429 4.7429 4.9652 4.9652 5.1056 5.1056 5.4306 5.4306 6.3410 6.3410 6.3994 6.3994 7.1783 7.1783 7.2346 7.2346 8.4994 8.4994 8.5767 8.5767 9.0672 9.0672 9.0851 9.0851 11.5799 11.5799 11.6688 11.6688 11.8061 11.8061 11.8661 11.8661 k = 0.2990 0.5179 0.1863 ( 2536 PWs) bands (ev): -8.8671 -8.8671 -8.8169 -8.8169 -8.7649 -8.7649 -8.7132 -8.7132 2.8199 2.8199 2.9330 2.9330 3.1144 3.1144 3.3031 3.3031 3.8936 3.8936 3.9616 3.9616 4.7206 4.7206 4.9471 4.9471 5.1103 5.1103 5.4432 5.4432 6.3530 6.3530 6.4118 6.4118 7.2016 7.2016 7.2637 7.2637 8.4721 8.4721 8.5513 8.5513 9.0719 9.0719 9.0901 9.0901 11.5673 11.5673 11.6589 11.6589 11.8218 11.8218 11.8787 11.8787 k = 0.2941 0.5094 0.1863 ( 2536 PWs) bands (ev): -8.8737 -8.8737 -8.8189 -8.8189 -8.7682 -8.7682 -8.7117 -8.7117 2.8001 2.8001 2.9111 2.9111 3.1132 3.1132 3.3004 3.3004 3.9180 3.9180 3.9842 3.9842 4.6976 4.6976 4.9225 4.9225 5.1208 5.1208 5.4545 5.4545 6.3674 6.3674 6.4262 6.4262 7.2292 7.2292 7.2968 7.2968 8.4424 8.4424 8.5231 8.5231 9.0771 9.0771 9.0951 9.0951 11.5551 11.5551 11.6480 11.6480 11.8381 11.8381 11.8908 11.8908 k = 0.2892 0.5009 0.1863 ( 2538 PWs) bands (ev): -8.8804 -8.8804 -8.8214 -8.8214 -8.7718 -8.7718 -8.7109 -8.7109 2.7815 2.7815 2.8893 2.8893 3.1136 3.1136 3.2974 3.2974 3.9401 3.9401 4.0039 4.0039 4.6745 4.6745 4.8944 4.8944 5.1345 5.1345 5.4639 5.4639 6.3845 6.3845 6.4426 6.4426 7.2611 7.2611 7.3335 7.3335 8.4106 8.4106 8.4926 8.4926 9.0824 9.0824 9.1000 9.1000 11.5432 11.5432 11.6365 11.6365 11.8546 11.8546 11.9025 11.9025 k = 0.2843 0.4924 0.1863 ( 2530 PWs) bands (ev): -8.8873 -8.8873 -8.8249 -8.8249 -8.7752 -8.7752 -8.7107 -8.7107 2.7645 2.7645 2.8687 2.8687 3.1147 3.1147 3.2941 3.2941 3.9590 3.9590 4.0203 4.0203 4.6516 4.6516 4.8647 4.8647 5.1497 5.1497 5.4710 5.4710 6.4043 6.4043 6.4614 6.4614 7.2972 7.2972 7.3735 7.3735 8.3773 8.3773 8.4604 8.4604 9.0875 9.0875 9.1047 9.1047 11.5318 11.5318 11.6245 11.6245 11.8710 11.8710 11.9136 11.9136 k = 0.2794 0.4840 0.1863 ( 2530 PWs) bands (ev): -8.8945 -8.8945 -8.8295 -8.8295 -8.7784 -8.7784 -8.7110 -8.7110 2.7494 2.7494 2.8502 2.8502 3.1159 3.1159 3.2904 3.2904 3.9743 3.9743 4.0331 4.0331 4.6292 4.6292 4.8347 4.8347 5.1651 5.1651 5.4757 5.4757 6.4269 6.4269 6.4825 6.4825 7.3373 7.3373 7.4161 7.4161 8.3432 8.3432 8.4269 8.4269 9.0922 9.0922 9.1092 9.1092 11.5208 11.5208 11.6121 11.6121 11.8871 11.8871 11.9240 11.9240 k = 0.2745 0.4755 0.1863 ( 2530 PWs) bands (ev): -8.9021 -8.9021 -8.8356 -8.8356 -8.7808 -8.7808 -8.7118 -8.7118 2.7364 2.7364 2.8341 2.8341 3.1167 3.1167 3.2862 3.2862 3.9855 3.9855 4.0423 4.0423 4.6077 4.6077 4.8056 4.8056 5.1800 5.1800 5.4776 5.4776 6.4524 6.4524 6.5062 6.5062 7.3809 7.3809 7.4609 7.4609 8.3086 8.3086 8.3929 8.3929 9.0963 9.0963 9.1135 9.1135 11.5102 11.5102 11.5993 11.5993 11.9027 11.9027 11.9337 11.9337 k = 0.2696 0.4670 0.1863 ( 2526 PWs) bands (ev): -8.9104 -8.9104 -8.8435 -8.8435 -8.7822 -8.7822 -8.7127 -8.7127 2.7256 2.7256 2.8207 2.8207 3.1169 3.1169 3.2815 3.2815 3.9924 3.9924 4.0479 4.0479 4.5872 4.5872 4.7778 4.7778 5.1938 5.1938 5.4768 5.4768 6.4808 6.4808 6.5325 6.5325 7.4276 7.4276 7.5071 7.5071 8.2744 8.2744 8.3589 8.3589 9.0995 9.0995 9.1176 9.1176 11.5000 11.5000 11.5862 11.5862 11.9177 11.9177 11.9428 11.9428 k = 0.2647 0.4585 0.1863 ( 2526 PWs) bands (ev): -8.9193 -8.9193 -8.8534 -8.8534 -8.7824 -8.7824 -8.7138 -8.7138 2.7171 2.7171 2.8103 2.8103 3.1161 3.1161 3.2761 3.2761 3.9949 3.9949 4.0504 4.0504 4.5681 4.5681 4.7519 4.7519 5.2060 5.2060 5.4731 5.4731 6.5119 6.5119 6.5614 6.5614 7.4769 7.4769 7.5538 7.5538 8.2410 8.2410 8.3258 8.3258 9.1016 9.1016 9.1214 9.1214 11.4902 11.4902 11.5727 11.5727 11.9319 11.9319 11.9512 11.9512 k = 0.2598 0.4500 0.1863 ( 2522 PWs) bands (ev): -8.9290 -8.9290 -8.8652 -8.8652 -8.7816 -8.7816 -8.7149 -8.7149 2.7110 2.7110 2.8029 2.8029 3.1144 3.1144 3.2698 3.2698 3.9930 3.9930 4.0499 4.0499 4.5503 4.5503 4.7282 4.7282 5.2161 5.2161 5.4666 5.4666 6.5457 6.5457 6.5929 6.5929 7.5278 7.5278 7.6002 7.6002 8.2095 8.2095 8.2945 8.2945 9.1028 9.1028 9.1250 9.1250 11.4809 11.4809 11.5590 11.5590 11.9448 11.9448 11.9595 11.9595 k = 0.2549 0.4415 0.1863 ( 2522 PWs) bands (ev): -8.9398 -8.9398 -8.8788 -8.8788 -8.7797 -8.7797 -8.7158 -8.7158 2.7071 2.7071 2.7986 2.7986 3.1113 3.1113 3.2625 3.2625 3.9869 3.9869 4.0468 4.0468 4.5342 4.5342 4.7070 4.7070 5.2240 5.2240 5.4574 5.4574 6.5820 6.5820 6.6270 6.6270 7.5794 7.5794 7.6448 7.6448 8.1807 8.1807 8.2661 8.2661 9.1029 9.1029 9.1283 9.1283 11.4721 11.4721 11.5450 11.5450 11.9555 11.9555 11.9683 11.9683 k = 0.2500 0.4330 0.1863 ( 2522 PWs) bands (ev): -8.9517 -8.9517 -8.8941 -8.8941 -8.7769 -8.7769 -8.7163 -8.7163 2.7054 2.7054 2.7972 2.7972 3.1068 3.1068 3.2542 3.2542 3.9769 3.9769 4.0416 4.0416 4.5198 4.5198 4.6884 4.6884 5.2294 5.2294 5.4454 5.4454 6.6206 6.6206 6.6634 6.6634 7.6301 7.6301 7.6861 7.6861 8.1560 8.1560 8.2421 8.2421 9.1020 9.1020 9.1312 9.1312 11.4639 11.4639 11.5308 11.5308 11.9634 11.9634 11.9785 11.9785 k = 0.2451 0.4245 0.1863 ( 2522 PWs) bands (ev): -8.9648 -8.9648 -8.9110 -8.9110 -8.7732 -8.7732 -8.7163 -8.7163 2.7057 2.7057 2.7988 2.7988 3.1007 3.1007 3.2449 3.2449 3.9636 3.9636 4.0346 4.0346 4.5071 4.5071 4.6726 4.6726 5.2321 5.2321 5.4308 5.4308 6.6611 6.6611 6.7021 6.7021 7.6777 7.6777 7.7223 7.7223 8.1372 8.1372 8.2243 8.2243 9.1002 9.1002 9.1338 9.1338 11.4561 11.4561 11.5166 11.5166 11.9691 11.9691 11.9895 11.9895 k = 0.2402 0.4160 0.1863 ( 2534 PWs) bands (ev): -8.9793 -8.9793 -8.9295 -8.9295 -8.7687 -8.7687 -8.7156 -8.7156 2.7078 2.7078 2.8033 2.8033 3.0930 3.0930 3.2345 3.2345 3.9475 3.9475 4.0260 4.0260 4.4965 4.4965 4.6595 4.6595 5.2319 5.2319 5.4138 5.4138 6.7033 6.7033 6.7428 6.7428 7.7191 7.7191 7.7516 7.7516 8.1266 8.1266 8.2149 8.2149 9.0975 9.0975 9.1360 9.1360 11.4490 11.4490 11.5023 11.5023 11.9734 11.9734 12.0005 12.0005 k = 0.2353 0.4075 0.1863 ( 2534 PWs) bands (ev): -8.9952 -8.9952 -8.9494 -8.9494 -8.7634 -8.7634 -8.7143 -8.7143 2.7114 2.7114 2.8103 2.8103 3.0836 3.0836 3.2233 3.2233 3.9292 3.9292 4.0161 4.0161 4.4880 4.4880 4.6492 4.6492 5.2289 5.2289 5.3944 5.3944 6.7469 6.7469 6.7853 6.7853 7.7499 7.7499 7.7736 7.7736 8.1271 8.1271 8.2155 8.2155 9.0941 9.0941 9.1381 9.1381 11.4426 11.4426 11.4882 11.4882 11.9767 11.9767 12.0112 12.0112 k = 0.2304 0.3991 0.1863 ( 2538 PWs) bands (ev): -9.0126 -9.0126 -8.9707 -8.9707 -8.7574 -8.7574 -8.7121 -8.7121 2.7161 2.7161 2.8197 2.8197 3.0723 3.0723 3.2114 3.2114 3.9092 3.9092 4.0051 4.0051 4.4817 4.4817 4.6418 4.6418 5.2231 5.2231 5.3729 5.3729 6.7915 6.7915 6.8295 6.8295 7.7659 7.7659 7.7889 7.7889 8.1407 8.1407 8.2265 8.2265 9.0901 9.0901 9.1400 9.1400 11.4368 11.4368 11.4744 11.4744 11.9792 11.9792 12.0215 12.0215 k = 0.2255 0.3906 0.1863 ( 2538 PWs) bands (ev): -9.0315 -9.0315 -8.9932 -8.9932 -8.7507 -8.7507 -8.7091 -8.7091 2.7213 2.7213 2.8313 2.8313 3.0594 3.0594 3.1992 3.1992 3.8882 3.8882 3.9930 3.9930 4.4778 4.4778 4.6372 4.6372 5.2145 5.2145 5.3495 5.3495 6.8368 6.8368 6.8750 6.8750 7.7689 7.7689 7.7962 7.7962 8.1675 8.1675 8.2468 8.2468 9.0856 9.0856 9.1419 9.1419 11.4314 11.4314 11.4614 11.4614 11.9812 11.9812 12.0313 12.0313 k = 0.2206 0.3821 0.1863 ( 2540 PWs) bands (ev): -9.0517 -9.0517 -9.0170 -9.0170 -8.7433 -8.7433 -8.7052 -8.7052 2.7265 2.7265 2.8445 2.8445 3.0448 3.0448 3.1871 3.1871 3.8666 3.8666 3.9801 3.9801 4.4764 4.4764 4.6353 4.6353 5.2034 5.2034 5.3245 5.3245 6.8823 6.8823 6.9216 6.9216 7.7634 7.7634 7.7953 7.7953 8.2048 8.2048 8.2739 8.2739 9.0808 9.0808 9.1440 9.1440 11.4261 11.4261 11.4497 11.4497 11.9827 11.9827 12.0408 12.0408 k = 0.2157 0.3736 0.1863 ( 2540 PWs) bands (ev): -9.0734 -9.0734 -9.0419 -9.0419 -8.7353 -8.7353 -8.7005 -8.7005 2.7310 2.7310 2.8588 2.8588 3.0289 3.0289 3.1756 3.1756 3.8450 3.8450 3.9666 3.9666 4.4774 4.4774 4.6363 4.6363 5.1899 5.1899 5.2982 5.2982 6.9276 6.9276 6.9691 6.9691 7.7527 7.7527 7.7882 7.7882 8.2488 8.2488 8.3054 8.3054 9.0760 9.0760 9.1465 9.1465 11.4199 11.4199 11.4407 11.4407 11.9839 11.9839 12.0500 12.0500 k = 0.2108 0.3651 0.1863 ( 2540 PWs) bands (ev): -9.0964 -9.0964 -9.0679 -9.0679 -8.7266 -8.7266 -8.6949 -8.6949 2.7341 2.7341 2.8733 2.8733 3.0121 3.0121 3.1652 3.1652 3.8238 3.8238 3.9525 3.9525 4.4809 4.4809 4.6399 4.6399 5.1745 5.1745 5.2711 5.2711 6.9725 6.9725 7.0170 7.0170 7.7390 7.7390 7.7775 7.7775 8.2957 8.2957 8.3388 8.3388 9.0716 9.0716 9.1497 9.1497 11.4117 11.4117 11.4356 11.4356 11.9849 11.9849 12.0589 12.0589 k = 0.2059 0.3566 0.1863 ( 2548 PWs) bands (ev): -9.1206 -9.1206 -9.0950 -9.0950 -8.7174 -8.7174 -8.6885 -8.6885 2.7351 2.7351 2.8867 2.8867 2.9954 2.9954 3.1564 3.1564 3.8034 3.8034 3.9382 3.9382 4.4868 4.4868 4.6461 4.6461 5.1574 5.1574 5.2437 5.2437 7.0165 7.0165 7.0651 7.0651 7.7238 7.7238 7.7654 7.7654 8.3421 8.3421 8.3731 8.3731 9.0679 9.0679 9.1538 9.1538 11.4023 11.4023 11.4338 11.4338 11.9859 11.9859 12.0677 12.0677 k = 0.2010 0.3481 0.1863 ( 2544 PWs) bands (ev): -9.1460 -9.1460 -9.1229 -9.1229 -8.7076 -8.7076 -8.6813 -8.6813 2.7333 2.7333 2.8961 2.8961 2.9811 2.9811 3.1495 3.1495 3.7844 3.7844 3.9239 3.9239 4.4949 4.4949 4.6548 4.6548 5.1393 5.1393 5.2166 5.2166 7.0594 7.0594 7.1128 7.1128 7.7080 7.7080 7.7532 7.7532 8.3836 8.3836 8.4089 8.4089 9.0656 9.0656 9.1591 9.1591 11.3930 11.3930 11.4345 11.4345 11.9870 11.9870 12.0764 12.0764 k = 0.1961 0.3396 0.1863 ( 2544 PWs) bands (ev): -9.1725 -9.1725 -9.1517 -9.1517 -8.6973 -8.6973 -8.6733 -8.6733 2.7284 2.7284 2.8968 2.8968 2.9737 2.9737 3.1447 3.1447 3.7672 3.7672 3.9100 3.9100 4.5048 4.5048 4.6657 4.6657 5.1208 5.1208 5.1907 5.1907 7.1007 7.1007 7.1598 7.1598 7.6923 7.6923 7.7418 7.7418 8.4167 8.4167 8.4469 8.4469 9.0652 9.0652 9.1658 9.1658 11.3846 11.3846 11.4372 11.4372 11.9884 11.9884 12.0851 12.0851 k = 0.1912 0.3311 0.1863 ( 2550 PWs) bands (ev): -9.1999 -9.1999 -9.1812 -9.1812 -8.6864 -8.6864 -8.6646 -8.6646 2.7201 2.7201 2.8859 2.8859 2.9753 2.9753 3.1417 3.1417 3.7520 3.7520 3.8968 3.8968 4.5163 4.5163 4.6784 4.6784 5.1025 5.1025 5.1668 5.1668 7.1401 7.1401 7.2055 7.2055 7.6772 7.6772 7.7318 7.7318 8.4422 8.4422 8.4838 8.4838 9.0675 9.0675 9.1741 9.1741 11.3773 11.3773 11.4416 11.4416 11.9902 11.9902 12.0939 12.0939 k = 0.1863 0.3226 0.1863 ( 2552 PWs) bands (ev): -9.2282 -9.2282 -9.2114 -9.2114 -8.6751 -8.6751 -8.6553 -8.6553 2.7085 2.7085 2.8666 2.8666 2.9821 2.9821 3.1400 3.1400 3.7392 3.7392 3.8847 3.8847 4.5289 4.5289 4.6926 4.6926 5.0855 5.0855 5.1458 5.1458 7.1772 7.1772 7.2495 7.2495 7.6631 7.6631 7.7233 7.7233 8.4618 8.4618 8.5159 8.5159 9.0733 9.0733 9.1840 9.1840 11.3717 11.3717 11.4476 11.4476 11.9927 11.9927 12.1030 12.1030 k = 0.1814 0.3141 0.1863 ( 2554 PWs) bands (ev): -9.2573 -9.2573 -9.2423 -9.2423 -8.6633 -8.6633 -8.6453 -8.6453 2.6941 2.6941 2.8431 2.8431 2.9896 2.9896 3.1387 3.1387 3.7291 3.7291 3.8737 3.8737 4.5424 4.5424 4.7077 4.7077 5.0709 5.0709 5.1289 5.1289 7.2116 7.2116 7.2910 7.2910 7.6506 7.6506 7.7168 7.7168 8.4762 8.4762 8.5415 8.5415 9.0830 9.0830 9.1957 9.1957 11.3679 11.3679 11.4554 11.4554 11.9960 11.9960 12.1122 12.1122 k = 0.1765 0.3057 0.1863 ( 2554 PWs) bands (ev): -9.2870 -9.2870 -9.2736 -9.2736 -8.6511 -8.6511 -8.6348 -8.6348 2.6771 2.6771 2.8174 2.8174 2.9955 2.9955 3.1369 3.1369 3.7217 3.7217 3.8639 3.8639 4.5566 4.5566 4.7231 4.7231 5.0600 5.0600 5.1170 5.1170 7.2430 7.2430 7.3293 7.3293 7.6400 7.6400 7.7121 7.7121 8.4853 8.4853 8.5596 8.5596 9.0971 9.0971 9.2089 9.2089 11.3661 11.3661 11.4647 11.4647 12.0003 12.0003 12.1219 12.1219 k = 0.1716 0.2972 0.1863 ( 2554 PWs) bands (ev): -9.3173 -9.3173 -9.3053 -9.3053 -8.6385 -8.6385 -8.6237 -8.6237 2.6582 2.6582 2.7904 2.7904 2.9985 2.9985 3.1337 3.1337 3.7168 3.7168 3.8552 3.8552 4.5713 4.5713 4.7382 4.7382 5.0543 5.0543 5.1108 5.1108 7.2712 7.2712 7.3637 7.3637 7.6319 7.6319 7.7094 7.7094 8.4894 8.4894 8.5700 8.5700 9.1154 9.1154 9.2236 9.2236 11.3666 11.3666 11.4756 11.4756 12.0056 12.0056 12.1319 12.1319 k = 0.1667 0.2887 0.1863 ( 2554 PWs) bands (ev): -9.3481 -9.3481 -9.3373 -9.3373 -8.6255 -8.6255 -8.6122 -8.6122 2.6378 2.6378 2.7627 2.7627 2.9980 2.9980 3.1285 3.1285 3.7138 3.7138 3.8469 3.8469 4.5871 4.5871 4.7527 4.7527 5.0550 5.0550 5.1111 5.1111 7.2957 7.2957 7.3929 7.3929 7.6270 7.6270 7.7086 7.7086 8.4889 8.4889 8.5729 8.5729 9.1372 9.1372 9.2393 9.2393 11.3695 11.3695 11.4881 11.4881 12.0122 12.0122 12.1424 12.1424 k = 0.1618 0.2802 0.1863 ( 2556 PWs) bands (ev): -9.3792 -9.3792 -9.3696 -9.3696 -8.6123 -8.6123 -8.6003 -8.6003 2.6163 2.6163 2.7347 2.7347 2.9937 2.9937 3.1206 3.1206 3.7122 3.7122 3.8385 3.8385 4.6044 4.6044 4.7668 4.7668 5.0630 5.0630 5.1181 5.1181 7.3166 7.3166 7.4161 7.4161 7.6261 7.6261 7.7095 7.7095 8.4839 8.4839 8.5691 8.5691 9.1617 9.1617 9.2559 9.2559 11.3750 11.3750 11.5020 11.5020 12.0202 12.0202 12.1534 12.1534 k = 0.1569 0.2717 0.1863 ( 2560 PWs) bands (ev): -9.4106 -9.4106 -9.4021 -9.4021 -8.5988 -8.5988 -8.5879 -8.5879 2.5942 2.5942 2.7066 2.7066 2.9859 2.9859 3.1097 3.1097 3.7108 3.7108 3.8289 3.8289 4.6243 4.6243 4.7811 4.7811 5.0786 5.0786 5.1319 5.1319 7.3337 7.3337 7.4324 7.4324 7.6296 7.6296 7.7117 7.7117 8.4748 8.4748 8.5593 8.5593 9.1879 9.1879 9.2729 9.2729 11.3832 11.3832 11.5174 11.5174 12.0295 12.0295 12.1650 12.1650 k = 0.1520 0.2632 0.1863 ( 2552 PWs) bands (ev): -9.4421 -9.4421 -9.4346 -9.4346 -8.5850 -8.5850 -8.5752 -8.5752 2.5718 2.5718 2.6787 2.6787 2.9748 2.9748 3.0960 3.0960 3.7085 3.7085 3.8172 3.8172 4.6480 4.6480 4.7971 4.7971 5.1012 5.1012 5.1520 5.1520 7.3472 7.3472 7.4419 7.4419 7.6371 7.6371 7.7150 7.7150 8.4621 8.4621 8.5445 8.5445 9.2149 9.2149 9.2902 9.2902 11.3941 11.3941 11.5342 11.5342 12.0404 12.0404 12.1771 12.1771 k = 0.1471 0.2547 0.1863 ( 2548 PWs) bands (ev): -9.4737 -9.4737 -9.4670 -9.4670 -8.5711 -8.5711 -8.5623 -8.5623 2.5494 2.5494 2.6512 2.6512 2.9608 2.9608 3.0794 3.0794 3.7043 3.7043 3.8025 3.8025 4.6765 4.6765 4.8162 4.8162 5.1301 5.1301 5.1780 5.1780 7.3573 7.3573 7.4454 7.4454 7.6475 7.6475 7.7188 7.7188 8.4460 8.4460 8.5253 8.5253 9.2418 9.2418 9.3073 9.3073 11.4080 11.4080 11.5524 11.5524 12.0528 12.0528 12.1898 12.1898 k = 0.1422 0.2462 0.1863 ( 2552 PWs) bands (ev): -9.5053 -9.5053 -9.4994 -9.4994 -8.5570 -8.5570 -8.5491 -8.5491 2.5272 2.5272 2.6241 2.6241 2.9443 2.9443 3.0602 3.0602 3.6972 3.6972 3.7842 3.7842 4.7107 4.7107 4.8401 4.8401 5.1645 5.1645 5.2092 5.2092 7.3641 7.3641 7.4443 7.4443 7.6592 7.6592 7.7228 7.7228 8.4269 8.4269 8.5025 8.5025 9.2680 9.2680 9.3239 9.3239 11.4247 11.4247 11.5719 11.5719 12.0667 12.0667 12.2031 12.2031 k = 0.1373 0.2377 0.1863 ( 2552 PWs) bands (ev): -9.5367 -9.5367 -9.5315 -9.5315 -8.5428 -8.5428 -8.5358 -8.5358 2.5054 2.5054 2.5977 2.5977 2.9258 2.9258 3.0388 3.0388 3.6864 3.6864 3.7621 3.7621 4.7512 4.7512 4.8697 4.8697 5.2033 5.2033 5.2451 5.2451 7.3682 7.3682 7.4399 7.4399 7.6707 7.6707 7.7264 7.7264 8.4050 8.4050 8.4765 8.4765 9.2929 9.2929 9.3400 9.3400 11.4443 11.4443 11.5927 11.5927 12.0821 12.0821 12.2169 12.2169 k = 0.1324 0.2292 0.1863 ( 2552 PWs) bands (ev): -9.5680 -9.5680 -9.5634 -9.5634 -8.5285 -8.5285 -8.5223 -8.5223 2.4842 2.4842 2.5720 2.5720 2.9057 2.9057 3.0157 3.0157 3.6716 3.6716 3.7361 3.7361 4.7979 4.7979 4.9057 4.9057 5.2460 5.2460 5.2850 5.2850 7.3696 7.3696 7.4333 7.4333 7.6810 7.6810 7.7292 7.7292 8.3806 8.3806 8.4477 8.4477 9.3160 9.3160 9.3551 9.3551 11.4669 11.4669 11.6150 11.6150 12.0989 12.0989 12.2312 12.2312 k = 0.1275 0.2208 0.1863 ( 2554 PWs) bands (ev): -9.5989 -9.5989 -9.5948 -9.5948 -8.5143 -8.5143 -8.5087 -8.5087 2.4638 2.4638 2.5471 2.5471 2.8846 2.8846 2.9910 2.9910 3.6527 3.6527 3.7067 3.7067 4.8509 4.8509 4.9484 4.9484 5.2919 5.2919 5.3285 5.3285 7.3688 7.3688 7.4250 7.4250 7.6892 7.6892 7.7308 7.7308 8.3540 8.3540 8.4165 8.4165 9.3372 9.3372 9.3690 9.3690 11.4923 11.4923 11.6386 11.6386 12.1169 12.1169 12.2459 12.2459 k = 0.1225 0.2123 0.1863 ( 2546 PWs) bands (ev): -9.6294 -9.6294 -9.6258 -9.6258 -8.5000 -8.5000 -8.4951 -8.4951 2.4442 2.4442 2.5232 2.5232 2.8627 2.8627 2.9653 2.9653 3.6298 3.6298 3.6741 3.6741 4.9096 4.9096 4.9976 4.9976 5.3406 5.3406 5.3751 5.3751 7.3661 7.3661 7.4156 7.4156 7.6951 7.6951 7.7309 7.7309 8.3252 8.3252 8.3830 8.3830 9.3560 9.3560 9.3816 9.3816 11.5205 11.5205 11.6636 11.6636 12.1361 12.1361 12.2611 12.2611 k = 0.1176 0.2038 0.1863 ( 2546 PWs) bands (ev): -9.6594 -9.6594 -9.6563 -9.6563 -8.4859 -8.4859 -8.4816 -8.4816 2.4255 2.4255 2.5002 2.5002 2.8404 2.8404 2.9389 2.9389 3.6033 3.6033 3.6390 3.6390 4.9735 4.9735 5.0530 5.0530 5.3918 5.3918 5.4244 5.4244 7.3616 7.3616 7.4053 7.4053 7.6984 7.6984 7.7294 7.7294 8.2945 8.2945 8.3476 8.3476 9.3723 9.3723 9.3926 9.3926 11.5513 11.5513 11.6901 11.6901 12.1563 12.1563 12.2766 12.2766 k = 0.1127 0.1953 0.1863 ( 2542 PWs) bands (ev): -9.6888 -9.6888 -9.6862 -9.6862 -8.4719 -8.4719 -8.4681 -8.4681 2.4079 2.4079 2.4782 2.4782 2.8180 2.8180 2.9120 2.9120 3.5737 3.5737 3.6019 3.6019 5.0420 5.0420 5.1140 5.1140 5.4450 5.4450 5.4761 5.4761 7.3555 7.3555 7.3942 7.3942 7.6989 7.6989 7.7261 7.7261 8.2620 8.2620 8.3104 8.3104 9.3860 9.3860 9.4018 9.4018 11.5847 11.5847 11.7181 11.7181 12.1774 12.1774 12.2924 12.2924 k = 0.1078 0.1868 0.1863 ( 2550 PWs) bands (ev): -9.7177 -9.7177 -9.7154 -9.7154 -8.4580 -8.4580 -8.4547 -8.4547 2.3913 2.3913 2.4572 2.4572 2.7957 2.7957 2.8849 2.8849 3.5414 3.5414 3.5634 3.5634 5.1146 5.1146 5.1801 5.1801 5.5001 5.5001 5.5299 5.5299 7.3481 7.3481 7.3826 7.3826 7.6967 7.6967 7.7209 7.7209 8.2278 8.2278 8.2715 8.2715 9.3969 9.3969 9.4091 9.4091 11.6205 11.6205 11.7475 11.7475 12.1991 12.1991 12.3084 12.3084 k = 0.1029 0.1783 0.1863 ( 2550 PWs) bands (ev): -9.7457 -9.7457 -9.7438 -9.7438 -8.4444 -8.4444 -8.4415 -8.4415 2.3759 2.3759 2.4373 2.4373 2.7738 2.7738 2.8580 2.8580 3.5070 3.5070 3.5239 3.5239 5.1907 5.1907 5.2505 5.2505 5.5567 5.5567 5.5856 5.5856 7.3394 7.3394 7.3705 7.3705 7.6919 7.6919 7.7137 7.7137 8.1920 8.1920 8.2310 8.2310 9.4050 9.4050 9.4142 9.4142 11.6584 11.6584 11.7783 11.7783 12.2213 12.2213 12.3245 12.3245 k = 0.0980 0.1698 0.1863 ( 2546 PWs) bands (ev): -9.7730 -9.7730 -9.7713 -9.7713 -8.4310 -8.4310 -8.4285 -8.4285 2.3615 2.3615 2.4186 2.4186 2.7525 2.7525 2.8314 2.8314 3.4710 3.4710 3.4839 3.4839 5.2697 5.2697 5.3248 5.3248 5.6148 5.6148 5.6430 5.6430 7.3297 7.3297 7.3581 7.3581 7.6845 7.6845 7.7046 7.7046 8.1547 8.1547 8.1892 8.1892 9.4102 9.4102 9.4170 9.4170 11.6983 11.6983 11.8105 11.8105 12.2439 12.2439 12.3406 12.3406 k = 0.0931 0.1613 0.1863 ( 2546 PWs) bands (ev): -9.7994 -9.7994 -9.7980 -9.7980 -8.4180 -8.4180 -8.4158 -8.4158 2.3483 2.3483 2.4008 2.4008 2.7320 2.7320 2.8053 2.8053 3.4338 3.4338 3.4438 3.4438 5.3511 5.3511 5.4022 5.4022 5.6741 5.6741 5.7019 5.7019 7.3191 7.3191 7.3453 7.3453 7.6745 7.6745 7.6936 7.6936 8.1160 8.1160 8.1461 8.1461 9.4124 9.4124 9.4175 9.4175 11.7398 11.7398 11.8440 11.8440 12.2667 12.2667 12.3568 12.3568 k = 0.0882 0.1528 0.1863 ( 2538 PWs) bands (ev): -9.8249 -9.8249 -9.8237 -9.8237 -8.4053 -8.4053 -8.4035 -8.4035 2.3362 2.3362 2.3842 2.3842 2.7124 2.7124 2.7800 2.7800 3.3957 3.3957 3.4039 3.4039 5.4343 5.4343 5.4822 5.4822 5.7344 5.7344 5.7622 5.7622 7.3078 7.3078 7.3324 7.3324 7.6621 7.6621 7.6809 7.6809 8.0761 8.0761 8.1017 8.1017 9.4119 9.4119 9.4156 9.4156 11.7827 11.7827 11.8785 11.8785 12.2897 12.2897 12.3728 12.3728 k = 0.0833 0.1443 0.1863 ( 2540 PWs) bands (ev): -9.8494 -9.8494 -9.8484 -9.8484 -8.3930 -8.3930 -8.3915 -8.3915 2.3252 2.3252 2.3687 2.3687 2.6939 2.6939 2.7556 2.7556 3.3573 3.3573 3.3645 3.3645 5.5189 5.5189 5.5642 5.5642 5.7955 5.7955 5.8236 5.8236 7.2959 7.2959 7.3194 7.3194 7.6473 7.6473 7.6663 7.6663 8.0349 8.0349 8.0564 8.0564 9.4086 9.4086 9.4114 9.4114 11.8266 11.8266 11.9138 11.9138 12.3126 12.3126 12.3888 12.3888 k = 0.0784 0.1358 0.1863 ( 2544 PWs) bands (ev): -9.8728 -9.8728 -9.8720 -9.8720 -8.3812 -8.3812 -8.3799 -8.3799 2.3153 2.3153 2.3542 2.3542 2.6766 2.6766 2.7323 2.7323 3.3190 3.3190 3.3257 3.3257 5.6044 5.6044 5.6478 5.6478 5.8573 5.8573 5.8862 5.8862 7.2835 7.2835 7.3064 7.3064 7.6300 7.6300 7.6501 7.6501 7.9926 7.9926 8.0101 8.0101 9.4027 9.4027 9.4048 9.4048 11.8711 11.8711 11.9497 11.9497 12.3355 12.3355 12.4046 12.4046 k = 0.0735 0.1274 0.1863 ( 2552 PWs) bands (ev): -9.8951 -9.8951 -9.8944 -9.8944 -8.3698 -8.3698 -8.3687 -8.3687 2.3063 2.3063 2.3407 2.3407 2.6606 2.6606 2.7102 2.7102 3.2811 3.2811 3.2877 3.2877 5.6904 5.6904 5.7324 5.7324 5.9196 5.9196 5.9497 5.9497 7.2708 7.2708 7.2936 7.2936 7.6103 7.6103 7.6322 7.6322 7.9492 7.9492 7.9631 7.9631 9.3944 9.3944 9.3961 9.3961 11.9158 11.9158 11.9857 11.9857 12.3583 12.3583 12.4202 12.4202 k = 0.0686 0.1189 0.1863 ( 2556 PWs) bands (ev): -9.9162 -9.9162 -9.9157 -9.9157 -8.3590 -8.3590 -8.3581 -8.3581 2.2983 2.2983 2.3283 2.3283 2.6460 2.6460 2.6896 2.6896 3.2441 3.2441 3.2506 3.2506 5.7762 5.7762 5.8175 5.8175 5.9824 5.9824 6.0141 6.0141 7.2580 7.2580 7.2811 7.2811 7.5881 7.5881 7.6126 7.6126 7.9048 7.9048 7.9156 7.9156 9.3839 9.3839 9.3854 9.3854 11.9602 11.9602 12.0216 12.0216 12.3809 12.3809 12.4357 12.4357 k = 0.0637 0.1104 0.1863 ( 2552 PWs) bands (ev): -9.9361 -9.9361 -9.9357 -9.9357 -8.3487 -8.3487 -8.3480 -8.3480 2.2912 2.2912 2.3168 2.3168 2.6329 2.6329 2.6705 2.6705 3.2083 3.2083 3.2145 3.2145 5.8615 5.8615 5.9025 5.9025 6.0454 6.0454 6.0792 6.0792 7.2451 7.2451 7.2692 7.2692 7.5635 7.5635 7.5911 7.5911 7.8593 7.8593 7.8682 7.8682 9.3716 9.3716 9.3729 9.3729 12.0039 12.0039 12.0569 12.0569 12.4033 12.4033 12.4510 12.4510 k = 0.0588 0.1019 0.1863 ( 2552 PWs) bands (ev): -9.9547 -9.9547 -9.9544 -9.9544 -8.3390 -8.3390 -8.3384 -8.3384 2.2849 2.2849 2.3063 2.3063 2.6212 2.6212 2.6530 2.6530 3.1738 3.1738 3.1796 3.1796 5.9456 5.9456 5.9868 5.9868 6.1088 6.1088 6.1449 6.1449 7.2324 7.2324 7.2580 7.2580 7.5364 7.5364 7.5678 7.5678 7.8126 7.8126 7.8212 7.8212 9.3577 9.3577 9.3589 9.3589 12.0463 12.0463 12.0912 12.0912 12.4255 12.4255 12.4662 12.4662 k = 0.0539 0.0934 0.1863 ( 2544 PWs) bands (ev): -9.9720 -9.9720 -9.9717 -9.9717 -8.3300 -8.3300 -8.3295 -8.3295 2.2792 2.2792 2.2968 2.2968 2.6110 2.6110 2.6373 2.6373 3.1409 3.1409 3.1462 3.1462 6.0281 6.0281 6.0696 6.0696 6.1725 6.1725 6.2111 6.2111 7.2199 7.2199 7.2477 7.2477 7.5068 7.5068 7.5424 7.5424 7.7649 7.7649 7.7750 7.7750 9.3427 9.3427 9.3437 9.3437 12.0870 12.0870 12.1240 12.1240 12.4475 12.4475 12.4813 12.4813 k = 0.0490 0.0849 0.1863 ( 2548 PWs) bands (ev): -9.9880 -9.9880 -9.9877 -9.9877 -8.3216 -8.3216 -8.3213 -8.3213 2.2742 2.2742 2.2882 2.2882 2.6023 2.6023 2.6235 2.6235 3.1098 3.1098 3.1144 3.1144 6.1082 6.1082 6.1497 6.1497 6.2369 6.2369 6.2775 6.2775 7.2080 7.2080 7.2384 7.2384 7.4747 7.4747 7.5148 7.5148 7.7170 7.7170 7.7293 7.7293 9.3268 9.3268 9.3278 9.3278 12.1252 12.1252 12.1550 12.1550 12.4690 12.4690 12.4964 12.4964 k = 0.0441 0.0764 0.1863 ( 2548 PWs) bands (ev): -10.0025 -10.0025 -10.0023 -10.0023 -8.3140 -8.3140 -8.3137 -8.3137 2.2698 2.2698 2.2805 2.2805 2.5951 2.5951 2.6115 2.6115 3.0806 3.0806 3.0845 3.0845 6.1854 6.1854 6.2258 6.2258 6.3026 6.3026 6.3440 6.3440 7.1968 7.1968 7.2304 7.2304 7.4403 7.4403 7.4848 7.4848 7.6695 7.6695 7.6840 7.6840 9.3107 9.3107 9.3114 9.3114 12.1605 12.1605 12.1836 12.1836 12.4901 12.4901 12.5114 12.5114 k = 0.0392 0.0679 0.1863 ( 2542 PWs) bands (ev): -10.0156 -10.0156 -10.0154 -10.0154 -8.3071 -8.3071 -8.3068 -8.3068 2.2658 2.2658 2.2737 2.2737 2.5891 2.5891 2.6014 2.6014 3.0536 3.0536 3.0568 3.0568 6.2590 6.2590 6.2962 6.2962 6.3702 6.3702 6.4100 6.4100 7.1864 7.1864 7.2236 7.2236 7.4038 7.4038 7.4524 7.4524 7.6231 7.6231 7.6393 7.6393 9.2945 9.2945 9.2951 9.2951 12.1926 12.1926 12.2096 12.2096 12.5104 12.5104 12.5263 12.5263 k = 0.0343 0.0594 0.1863 ( 2542 PWs) bands (ev): -10.0272 -10.0272 -10.0271 -10.0271 -8.3009 -8.3009 -8.3007 -8.3007 2.2623 2.2623 2.2678 2.2678 2.5844 2.5844 2.5931 2.5931 3.0289 3.0289 3.0314 3.0314 6.3283 6.3283 6.3599 6.3599 6.4395 6.4395 6.4751 6.4751 7.1772 7.1772 7.2179 7.2179 7.3659 7.3659 7.4177 7.4177 7.5784 7.5784 7.5952 7.5952 9.2789 9.2789 9.2794 9.2794 12.2209 12.2209 12.2328 12.2328 12.5298 12.5298 12.5410 12.5410 k = 0.0294 0.0509 0.1863 ( 2542 PWs) bands (ev): -10.0373 -10.0373 -10.0372 -10.0372 -8.2955 -8.2955 -8.2954 -8.2954 2.2591 2.2591 2.2627 2.2627 2.5808 2.5808 2.5866 2.5866 3.0068 3.0068 3.0087 3.0087 6.3924 6.3924 6.4171 6.4171 6.5092 6.5092 6.5386 6.5386 7.1692 7.1692 7.2129 7.2129 7.3278 7.3278 7.3813 7.3813 7.5359 7.5359 7.5520 7.5520 9.2643 9.2643 9.2647 9.2647 12.2453 12.2453 12.2530 12.2530 12.5477 12.5477 12.5552 12.5552 k = 0.0245 0.0425 0.1863 ( 2534 PWs) bands (ev): -10.0460 -10.0460 -10.0459 -10.0459 -8.2909 -8.2909 -8.2908 -8.2908 2.2564 2.2564 2.2585 2.2585 2.5781 2.5781 2.5817 2.5817 2.9875 2.9875 2.9889 2.9889 6.4504 6.4504 6.4678 6.4678 6.5771 6.5771 6.5993 6.5993 7.1621 7.1621 7.2065 7.2065 7.2924 7.2924 7.3444 7.3444 7.4962 7.4962 7.5102 7.5102 9.2511 9.2511 9.2513 9.2513 12.2656 12.2656 12.2702 12.2702 12.5639 12.5639 12.5685 12.5685 k = 0.0196 0.0340 0.1863 ( 2534 PWs) bands (ev): -10.0530 -10.0530 -10.0529 -10.0529 -8.2871 -8.2871 -8.2870 -8.2870 2.2540 2.2540 2.2551 2.2551 2.5762 2.5762 2.5781 2.5781 2.9713 2.9713 2.9722 2.9722 6.5010 6.5010 6.5120 6.5120 6.6413 6.6413 6.6562 6.6562 7.1552 7.1552 7.1936 7.1936 7.2659 7.2659 7.3095 7.3095 7.4598 7.4598 7.4705 7.4705 9.2397 9.2397 9.2398 9.2398 12.2818 12.2818 12.2842 12.2842 12.5778 12.5778 12.5804 12.5804 k = 0.0147 0.0255 0.1863 ( 2542 PWs) bands (ev): -10.0585 -10.0585 -10.0585 -10.0585 -8.2841 -8.2841 -8.2841 -8.2841 2.2521 2.2521 2.2526 2.2526 2.5749 2.5749 2.5757 2.5757 2.9583 2.9583 2.9590 2.9590 6.5426 6.5426 6.5487 6.5487 6.6991 6.6991 6.7074 6.7074 7.1464 7.1464 7.1700 7.1700 7.2542 7.2542 7.2807 7.2807 7.4276 7.4276 7.4343 7.4343 9.2303 9.2303 9.2304 9.2304 12.2941 12.2941 12.2951 12.2951 12.5891 12.5891 12.5905 12.5905 k = 0.0098 0.0170 0.1863 ( 2542 PWs) bands (ev): -10.0625 -10.0625 -10.0624 -10.0624 -8.2820 -8.2820 -8.2820 -8.2820 2.2506 2.2506 2.2508 2.2508 2.5740 2.5740 2.5743 2.5743 2.9489 2.9489 2.9493 2.9493 6.5737 6.5737 6.5767 6.5767 6.7472 6.7472 6.7504 6.7504 7.1338 7.1338 7.1426 7.1426 7.2528 7.2528 7.2626 7.2626 7.4009 7.4009 7.4039 7.4039 9.2235 9.2235 9.2235 9.2235 12.3027 12.3027 12.3030 12.3030 12.5974 12.5974 12.5981 12.5981 k = 0.0049 0.0085 0.1863 ( 2542 PWs) bands (ev): -10.0649 -10.0649 -10.0648 -10.0648 -8.2807 -8.2807 -8.2807 -8.2807 2.2497 2.2497 2.2497 2.2497 2.5734 2.5734 2.5736 2.5736 2.9432 2.9432 2.9434 2.9434 6.5929 6.5929 6.5943 6.5943 6.7801 6.7801 6.7806 6.7806 7.1199 7.1199 7.1214 7.1214 7.2545 7.2545 7.2559 7.2559 7.3821 7.3821 7.3829 7.3829 9.2193 9.2193 9.2193 9.2193 12.3077 12.3077 12.3077 12.3077 12.6025 12.6025 12.6029 12.6029 k = 0.0000 0.0000 0.1863 ( 2542 PWs) bands (ev): -10.0656 -10.0656 -10.0656 -10.0656 -8.2803 -8.2803 -8.2803 -8.2803 2.2494 2.2494 2.2494 2.2494 2.5733 2.5733 2.5733 2.5733 2.9413 2.9413 2.9413 2.9413 6.5999 6.5999 6.5999 6.5999 6.7920 6.7920 6.7920 6.7920 7.1135 7.1135 7.1135 7.1135 7.2553 7.2553 7.2553 7.2553 7.3752 7.3752 7.3752 7.3752 9.2179 9.2179 9.2179 9.2179 12.3093 12.3093 12.3093 12.3093 12.6044 12.6044 12.6044 12.6044 k = 0.5000 0.2887 0.1863 ( 2556 PWs) bands (ev): -9.0919 -9.0919 -9.0919 -9.0919 -8.5609 -8.5609 -8.5609 -8.5609 1.9263 1.9263 1.9263 1.9263 3.2773 3.2773 3.2773 3.2773 4.4614 4.4614 4.4614 4.4614 4.9278 4.9278 4.9278 4.9278 6.1646 6.1646 6.1646 6.1646 7.0628 7.0628 7.0628 7.0628 7.1954 7.1954 7.1954 7.1954 7.6876 7.6876 7.6876 7.6876 8.4968 8.4968 8.4968 8.4968 11.6220 11.6220 11.6220 11.6220 12.4005 12.4005 12.4005 12.4005 k = 0.5000 0.2887 0.1765 ( 2554 PWs) bands (ev): -9.0975 -9.0975 -9.0862 -9.0862 -8.5674 -8.5674 -8.5546 -8.5546 1.9162 1.9162 1.9367 1.9367 3.2671 3.2671 3.2877 3.2877 4.4417 4.4417 4.4800 4.4800 4.9137 4.9137 4.9432 4.9432 6.1463 6.1463 6.1829 6.1829 7.0415 7.0415 7.0821 7.0821 7.1892 7.1892 7.2031 7.2031 7.6840 7.6840 7.6911 7.6911 8.4938 8.4938 8.4999 8.4999 11.6137 11.6137 11.6303 11.6303 12.3896 12.3896 12.4114 12.4114 k = 0.5000 0.2887 0.1667 ( 2546 PWs) bands (ev): -9.1029 -9.1029 -9.0804 -9.0804 -8.5739 -8.5739 -8.5485 -8.5485 1.9062 1.9062 1.9471 1.9471 3.2571 3.2571 3.2980 3.2980 4.4216 4.4216 4.4973 4.4973 4.9013 4.9013 4.9594 4.9594 6.1281 6.1281 6.2011 6.2011 7.0188 7.0188 7.0985 7.0985 7.1845 7.1845 7.2122 7.2122 7.6804 7.6804 7.6946 7.6946 8.4908 8.4908 8.5029 8.5029 11.6057 11.6057 11.6388 11.6388 12.3787 12.3787 12.4222 12.4222 k = 0.5000 0.2887 0.1569 ( 2550 PWs) bands (ev): -9.1082 -9.1082 -9.0745 -9.0745 -8.5805 -8.5805 -8.5425 -8.5425 1.8966 1.8966 1.9577 1.9577 3.2473 3.2473 3.3084 3.3084 4.4013 4.4013 4.5127 4.5127 4.8911 4.8911 4.9760 4.9760 6.1102 6.1102 6.2190 6.2190 6.9953 6.9953 7.1110 7.1110 7.1818 7.1818 7.2231 7.2231 7.6769 7.6769 7.6981 7.6981 8.4879 8.4879 8.5060 8.5060 11.5978 11.5978 11.6472 11.6472 12.3680 12.3680 12.4329 12.4329 k = 0.5000 0.2887 0.1471 ( 2550 PWs) bands (ev): -9.1132 -9.1132 -9.0686 -9.0686 -8.5871 -8.5871 -8.5368 -8.5368 1.8874 1.8874 1.9682 1.9682 3.2378 3.2378 3.3186 3.3186 4.3812 4.3812 4.5256 4.5256 4.8836 4.8836 4.9928 4.9928 6.0926 6.0926 6.2365 6.2365 6.9714 6.9714 7.1189 7.1189 7.1814 7.1814 7.2356 7.2356 7.6735 7.6735 7.7015 7.7015 8.4851 8.4851 8.5090 8.5090 11.5902 11.5902 11.6556 11.6556 12.3575 12.3575 12.4433 12.4433 k = 0.5000 0.2887 0.1373 ( 2546 PWs) bands (ev): -9.1180 -9.1180 -9.0626 -9.0626 -8.5937 -8.5937 -8.5314 -8.5314 1.8785 1.8785 1.9785 1.9785 3.2287 3.2287 3.3287 3.3287 4.3614 4.3614 4.5356 4.5356 4.8792 4.8792 5.0094 5.0094 6.0755 6.0755 6.2536 6.2536 6.9474 6.9474 7.1221 7.1221 7.1833 7.1833 7.2498 7.2498 7.6702 7.6702 7.7048 7.7048 8.4824 8.4824 8.5120 8.5120 11.5829 11.5829 11.6639 11.6639 12.3473 12.3473 12.4534 12.4534 k = 0.5000 0.2887 0.1275 ( 2542 PWs) bands (ev): -9.1225 -9.1225 -9.0567 -9.0567 -8.6003 -8.6003 -8.5262 -8.5262 1.8701 1.8701 1.9887 1.9887 3.2200 3.2200 3.3385 3.3385 4.3423 4.3423 4.5424 4.5424 4.8781 4.8781 5.0258 5.0258 6.0590 6.0590 6.2701 6.2701 6.9236 6.9236 7.1218 7.1218 7.1866 7.1866 7.2650 7.2650 7.6670 7.6670 7.7079 7.7079 8.4798 8.4798 8.5148 8.5148 11.5759 11.5759 11.6720 11.6720 12.3374 12.3374 12.4632 12.4632 k = 0.5000 0.2887 0.1177 ( 2542 PWs) bands (ev): -9.1268 -9.1268 -9.0510 -9.0510 -8.6067 -8.6067 -8.5213 -8.5213 1.8622 1.8622 1.9987 1.9987 3.2117 3.2117 3.3480 3.3480 4.3239 4.3239 4.5460 4.5460 4.8804 4.8804 5.0415 5.0415 6.0432 6.0432 6.2858 6.2858 6.9001 6.9001 7.1192 7.1192 7.1904 7.1904 7.2808 7.2808 7.6639 7.6639 7.7109 7.7109 8.4773 8.4773 8.5176 8.5176 11.5693 11.5693 11.6799 11.6799 12.3279 12.3279 12.4725 12.4725 k = 0.5000 0.2887 0.1079 ( 2536 PWs) bands (ev): -9.1307 -9.1307 -9.0453 -9.0453 -8.6129 -8.6129 -8.5168 -8.5168 1.8549 1.8549 2.0082 2.0082 3.2040 3.2040 3.3570 3.3570 4.3066 4.3066 4.5466 4.5466 4.8858 4.8858 5.0566 5.0566 6.0282 6.0282 6.3008 6.3008 6.8773 6.8773 7.1155 7.1155 7.1942 7.1942 7.2966 7.2966 7.6611 7.6611 7.7137 7.7137 8.4749 8.4749 8.5203 8.5203 11.5632 11.5632 11.6874 11.6874 12.3190 12.3190 12.4813 12.4813 k = 0.5000 0.2887 0.0981 ( 2540 PWs) bands (ev): -9.1344 -9.1344 -9.0399 -9.0399 -8.6189 -8.6189 -8.5125 -8.5125 1.8480 1.8480 2.0173 2.0173 3.1968 3.1968 3.3656 3.3656 4.2903 4.2903 4.5447 4.5447 4.8936 4.8936 5.0707 5.0707 6.0141 6.0141 6.3148 6.3148 6.8555 6.8555 7.1113 7.1113 7.1976 7.1976 7.3120 7.3120 7.6584 7.6584 7.7163 7.7163 8.4727 8.4727 8.5228 8.5228 11.5574 11.5574 11.6946 11.6946 12.3105 12.3105 12.4895 12.4895 k = 0.5000 0.2887 0.0882 ( 2540 PWs) bands (ev): -9.1378 -9.1378 -9.0347 -9.0347 -8.6246 -8.6246 -8.5087 -8.5087 1.8418 1.8418 2.0259 2.0259 3.1901 3.1901 3.3737 3.3737 4.2753 4.2753 4.5409 4.5409 4.9033 4.9033 5.0839 5.0839 6.0011 6.0011 6.3279 6.3279 6.8347 6.8347 7.1068 7.1068 7.2006 7.2006 7.3266 7.3266 7.6560 7.6560 7.7187 7.7187 8.4707 8.4707 8.5252 8.5252 11.5521 11.5521 11.7013 11.7013 12.3027 12.3027 12.4972 12.4972 k = 0.5000 0.2887 0.0784 ( 2544 PWs) bands (ev): -9.1408 -9.1408 -9.0298 -9.0298 -8.6299 -8.6299 -8.5052 -8.5052 1.8362 1.8362 2.0338 2.0338 3.1841 3.1841 3.3811 3.3811 4.2615 4.2615 4.5358 4.5358 4.9140 4.9140 5.0959 5.0959 5.9892 5.9892 6.3398 6.3398 6.8153 6.8153 7.1025 7.1025 7.2032 7.2032 7.3402 7.3402 7.6537 7.6537 7.7210 7.7210 8.4689 8.4689 8.5274 8.5274 11.5473 11.5473 11.7076 11.7076 12.2956 12.2956 12.5042 12.5042 k = 0.5000 0.2887 0.0686 ( 2544 PWs) bands (ev): -9.1435 -9.1435 -9.0254 -9.0254 -8.6348 -8.6348 -8.5021 -8.5021 1.8311 1.8311 2.0410 2.0410 3.1787 3.1787 3.3878 3.3878 4.2492 4.2492 4.5301 4.5301 4.9251 4.9251 5.1067 5.1067 5.9785 5.9785 6.3506 6.3506 6.7975 6.7975 7.0983 7.0983 7.2054 7.2054 7.3525 7.3525 7.6518 7.6518 7.7229 7.7229 8.4672 8.4672 8.5294 8.5294 11.5430 11.5430 11.7132 11.7132 12.2891 12.2891 12.5104 12.5104 k = 0.5000 0.2887 0.0588 ( 2540 PWs) bands (ev): -9.1459 -9.1459 -9.0213 -9.0213 -8.6392 -8.6392 -8.4993 -8.4993 1.8267 1.8267 2.0475 2.0475 3.1740 3.1740 3.3937 3.3937 4.2384 4.2384 4.5242 4.5242 4.9359 4.9359 5.1162 5.1162 5.9691 5.9691 6.3602 6.3602 6.7815 6.7815 7.0945 7.0945 7.2072 7.2072 7.3635 7.3635 7.6500 7.6500 7.7247 7.7247 8.4657 8.4657 8.5311 8.5311 11.5392 11.5392 11.7182 11.7182 12.2835 12.2835 12.5160 12.5160 k = 0.5000 0.2887 0.0490 ( 2538 PWs) bands (ev): -9.1479 -9.1479 -9.0178 -9.0178 -8.6431 -8.6431 -8.4970 -8.4970 1.8230 1.8230 2.0530 2.0530 3.1700 3.1700 3.3989 3.3989 4.2292 4.2292 4.5185 4.5185 4.9460 4.9460 5.1244 5.1244 5.9610 5.9610 6.3684 6.3684 6.7676 6.7676 7.0912 7.0912 7.2087 7.2087 7.3730 7.3730 7.6486 7.6486 7.7262 7.7262 8.4645 8.4645 8.5327 8.5327 11.5360 11.5360 11.7226 11.7226 12.2786 12.2786 12.5207 12.5207 k = 0.5000 0.2887 0.0392 ( 2538 PWs) bands (ev): -9.1495 -9.1495 -9.0148 -9.0148 -8.6463 -8.6463 -8.4951 -8.4951 1.8199 1.8199 2.0577 2.0577 3.1667 3.1667 3.4032 3.4032 4.2215 4.2215 4.5135 4.5135 4.9548 4.9548 5.1311 5.1311 5.9543 5.9543 6.3752 6.3752 6.7559 6.7559 7.0884 7.0884 7.2099 7.2099 7.3808 7.3808 7.6474 7.6474 7.7274 7.7274 8.4635 8.4635 8.5339 8.5339 11.5333 11.5333 11.7262 11.7262 12.2746 12.2746 12.5246 12.5246 k = 0.5000 0.2887 0.0294 ( 2536 PWs) bands (ev): -9.1508 -9.1508 -9.0124 -9.0124 -8.6489 -8.6489 -8.4936 -8.4936 1.8176 1.8176 2.0614 2.0614 3.1641 3.1641 3.4065 3.4065 4.2155 4.2155 4.5093 4.5093 4.9621 4.9621 5.1364 5.1364 5.9491 5.9491 6.3806 6.3806 6.7465 6.7465 7.0861 7.0861 7.2108 7.2108 7.3870 7.3870 7.6464 7.6464 7.7284 7.7284 8.4627 8.4627 8.5349 8.5349 11.5312 11.5312 11.7290 11.7290 12.2714 12.2714 12.5277 12.5277 k = 0.5000 0.2887 0.0196 ( 2532 PWs) bands (ev): -9.1517 -9.1517 -9.0106 -9.0106 -8.6508 -8.6508 -8.4925 -8.4925 1.8158 1.8158 2.0640 2.0640 3.1623 3.1623 3.4090 3.4090 4.2112 4.2112 4.5062 4.5062 4.9674 4.9674 5.1402 5.1402 5.9453 5.9453 6.3845 6.3845 6.7397 6.7397 7.0845 7.0845 7.2114 7.2114 7.3915 7.3915 7.6458 7.6458 7.7291 7.7291 8.4621 8.4621 8.5357 8.5357 11.5298 11.5298 11.7311 11.7311 12.2691 12.2691 12.5299 12.5299 k = 0.5000 0.2887 0.0098 ( 2528 PWs) bands (ev): -9.1523 -9.1523 -9.0096 -9.0096 -8.6519 -8.6519 -8.4919 -8.4919 1.8148 1.8148 2.0657 2.0657 3.1611 3.1611 3.4105 3.4105 4.2086 4.2086 4.5042 4.5042 4.9707 4.9707 5.1425 5.1425 5.9430 5.9430 6.3869 6.3869 6.7356 6.7356 7.0835 7.0835 7.2118 7.2118 7.3941 7.3941 7.6454 7.6454 7.7295 7.7295 8.4617 8.4617 8.5361 8.5361 11.5289 11.5289 11.7324 11.7324 12.2677 12.2677 12.5312 12.5312 k = 0.5000 0.2887-0.0000 ( 2526 PWs) bands (ev): -9.1524 -9.1524 -9.0092 -9.0092 -8.6523 -8.6523 -8.4917 -8.4917 1.8145 1.8145 2.0662 2.0662 3.1608 3.1608 3.4110 3.4110 4.2078 4.2078 4.5036 4.5036 4.9719 4.9719 5.1432 5.1432 5.9423 5.9423 6.3877 6.3877 6.7342 6.7342 7.0831 7.0831 7.2119 7.2119 7.3950 7.3950 7.6452 7.6452 7.7296 7.7296 8.4616 8.4616 8.5362 8.5362 11.5286 11.5286 11.7328 11.7328 12.2673 12.2673 12.5317 12.5317 k = 0.3333 0.5774-0.0000 ( 2514 PWs) bands (ev): -8.8353 -8.8288 -8.8164 -8.8164 -8.7488 -8.7488 -8.7328 -8.7328 2.9348 2.9348 2.9798 2.9961 3.2903 3.2903 3.3413 3.3413 3.6620 3.6706 3.6706 3.6949 4.8811 4.8811 4.9663 4.9663 5.2288 5.2321 5.3863 5.3863 6.2707 6.2707 6.2952 6.3697 7.1174 7.1267 7.1267 7.1912 8.5692 8.5692 8.6631 8.6631 9.0295 9.0855 9.0855 9.1095 11.4219 11.4219 11.5803 11.7324 11.7682 11.7682 12.0481 12.0481 k = 0.3333 0.5774 0.0098 ( 2514 PWs) bands (ev): -8.8353 -8.8288 -8.8164 -8.8164 -8.7488 -8.7488 -8.7328 -8.7328 2.9350 2.9350 2.9795 2.9957 3.2896 3.2896 3.3409 3.3409 3.6627 3.6717 3.6717 3.6954 4.8810 4.8810 4.9660 4.9660 5.2284 5.2316 5.3862 5.3862 6.2709 6.2709 6.2955 6.3698 7.1175 7.1266 7.1266 7.1911 8.5692 8.5692 8.6630 8.6630 9.0296 9.0853 9.0853 9.1093 11.4230 11.4230 11.5805 11.7321 11.7681 11.7681 12.0471 12.0471 k = 0.3333 0.5774 0.0196 ( 2526 PWs) bands (ev): -8.8353 -8.8289 -8.8164 -8.8164 -8.7488 -8.7488 -8.7328 -8.7328 2.9356 2.9356 2.9787 2.9947 3.2875 3.2875 3.3400 3.3400 3.6646 3.6750 3.6750 3.6970 4.8806 4.8806 4.9651 4.9651 5.2270 5.2300 5.3860 5.3860 6.2718 6.2718 6.2966 6.3700 7.1179 7.1265 7.1265 7.1907 8.5694 8.5694 8.6628 8.6628 9.0300 9.0847 9.0847 9.1089 11.4262 11.4262 11.5811 11.7312 11.7680 11.7680 12.0442 12.0442 k = 0.3333 0.5774 0.0294 ( 2529 PWs) bands (ev): -8.8353 -8.8289 -8.8164 -8.8164 -8.7488 -8.7488 -8.7329 -8.7329 2.9367 2.9367 2.9773 2.9931 3.2842 3.2842 3.3383 3.3383 3.6677 3.6804 3.6804 3.6997 4.8800 4.8800 4.9638 4.9638 5.2247 5.2276 5.3856 5.3856 6.2731 6.2731 6.2984 6.3705 7.1185 7.1263 7.1263 7.1901 8.5698 8.5698 8.6624 8.6624 9.0305 9.0837 9.0837 9.1081 11.4316 11.4316 11.5822 11.7296 11.7678 11.7678 12.0394 12.0394 k = 0.3333 0.5774 0.0392 ( 2535 PWs) bands (ev): -8.8352 -8.8290 -8.8164 -8.8164 -8.7488 -8.7488 -8.7329 -8.7329 2.9381 2.9381 2.9755 2.9909 3.2798 3.2798 3.3361 3.3361 3.6719 3.6876 3.6876 3.7032 4.8789 4.8789 4.9620 4.9620 5.2216 5.2242 5.3850 5.3850 6.2749 6.2749 6.3008 6.3710 7.1194 7.1260 7.1260 7.1892 8.5703 8.5703 8.6620 8.6620 9.0313 9.0824 9.0824 9.1070 11.4390 11.4390 11.5837 11.7275 11.7676 11.7676 12.0326 12.0326 k = 0.3333 0.5774 0.0490 ( 2535 PWs) bands (ev): -8.8351 -8.8291 -8.8164 -8.8164 -8.7488 -8.7488 -8.7329 -8.7329 2.9399 2.9399 2.9732 2.9881 3.2746 3.2746 3.3333 3.3333 3.6772 3.6963 3.6963 3.7076 4.8773 4.8773 4.9601 4.9601 5.2177 5.2200 5.3844 5.3844 6.2772 6.2772 6.3038 6.3717 7.1204 7.1257 7.1257 7.1881 8.5709 8.5709 8.6614 8.6614 9.0324 9.0808 9.0808 9.1057 11.4485 11.4485 11.5856 11.7249 11.7673 11.7673 12.0240 12.0240 k = 0.3333 0.5774 0.0588 ( 2529 PWs) bands (ev): -8.8350 -8.8292 -8.8164 -8.8164 -8.7488 -8.7488 -8.7329 -8.7329 2.9421 2.9421 2.9707 2.9850 3.2688 3.2688 3.3300 3.3300 3.6833 3.7063 3.7063 3.7126 4.8752 4.8752 4.9582 4.9582 5.2132 5.2151 5.3836 5.3836 6.2798 6.2798 6.3073 6.3724 7.1218 7.1253 7.1253 7.1867 8.5717 8.5717 8.6607 8.6607 9.0336 9.0789 9.0789 9.1040 11.4599 11.4599 11.5879 11.7217 11.7669 11.7669 12.0137 12.0137 k = 0.3333 0.5774 0.0686 ( 2529 PWs) bands (ev): -8.8348 -8.8294 -8.8164 -8.8164 -8.7488 -8.7488 -8.7329 -8.7329 2.9445 2.9445 2.9678 2.9815 3.2626 3.2626 3.3262 3.3262 3.6902 3.7172 3.7172 3.7182 4.8723 4.8723 4.9565 4.9565 5.2082 5.2097 5.3828 5.3828 6.2827 6.2827 6.3112 6.3731 7.1233 7.1248 7.1248 7.1851 8.5726 8.5726 8.6599 8.6599 9.0351 9.0768 9.0768 9.1021 11.4731 11.4731 11.5906 11.7180 11.7665 11.7665 12.0016 12.0016 k = 0.3333 0.5774 0.0784 ( 2529 PWs) bands (ev): -8.8347 -8.8295 -8.8164 -8.8164 -8.7488 -8.7488 -8.7329 -8.7329 2.9471 2.9471 2.9649 2.9778 3.2563 3.2563 3.3221 3.3221 3.6976 3.7241 3.7288 3.7288 4.8686 4.8686 4.9551 4.9551 5.2028 5.2039 5.3818 5.3818 6.2858 6.2858 6.3156 6.3737 7.1243 7.1243 7.1250 7.1833 8.5735 8.5735 8.6590 8.6590 9.0368 9.0745 9.0745 9.1000 11.4880 11.4880 11.5937 11.7138 11.7661 11.7661 11.9880 11.9880 k = 0.3333 0.5774 0.0882 ( 2538 PWs) bands (ev): -8.8345 -8.8297 -8.8164 -8.8164 -8.7488 -8.7488 -8.7329 -8.7329 2.9499 2.9499 2.9619 2.9739 3.2500 3.2500 3.3178 3.3178 3.7054 3.7302 3.7406 3.7406 4.8643 4.8643 4.9542 4.9542 5.1970 5.1978 5.3808 5.3808 6.2890 6.2890 6.3202 6.3743 7.1238 7.1238 7.1269 7.1813 8.5745 8.5745 8.6581 8.6581 9.0386 9.0721 9.0721 9.0976 11.5044 11.5044 11.5972 11.7091 11.7657 11.7657 11.9728 11.9728 k = 0.3333 0.5774 0.0981 ( 2532 PWs) bands (ev): -8.8343 -8.8299 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9528 2.9528 2.9590 2.9700 3.2439 3.2439 3.3133 3.3133 3.7133 3.7363 3.7524 3.7524 4.8594 4.8594 4.9537 4.9537 5.1912 5.1917 5.3798 5.3798 6.2923 6.2923 6.3250 6.3747 7.1233 7.1233 7.1291 7.1791 8.5756 8.5756 8.6571 8.6571 9.0407 9.0697 9.0697 9.0950 11.5221 11.5221 11.6011 11.7041 11.7653 11.7653 11.9563 11.9563 k = 0.3333 0.5774 0.1079 ( 2547 PWs) bands (ev): -8.8341 -8.8301 -8.8164 -8.8164 -8.7488 -8.7488 -8.7329 -8.7329 2.9557 2.9557 2.9561 2.9662 3.2382 3.2382 3.3087 3.3087 3.7212 3.7422 3.7639 3.7639 4.8540 4.8540 4.9537 4.9537 5.1855 5.1856 5.3788 5.3788 6.2955 6.2955 6.3299 6.3749 7.1228 7.1228 7.1314 7.1768 8.5767 8.5767 8.6560 8.6560 9.0430 9.0674 9.0674 9.0923 11.5410 11.5410 11.6053 11.6988 11.7649 11.7649 11.9385 11.9385 k = 0.3333 0.5774 0.1177 ( 2535 PWs) bands (ev): -8.8339 -8.8303 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9535 2.9585 2.9585 2.9625 3.2329 3.2329 3.3043 3.3043 3.7289 3.7476 3.7749 3.7749 4.8485 4.8485 4.9540 4.9540 5.1799 5.1799 5.3779 5.3779 6.2985 6.2985 6.3348 6.3748 7.1223 7.1223 7.1338 7.1743 8.5778 8.5778 8.6550 8.6550 9.0455 9.0651 9.0651 9.0894 11.5609 11.5609 11.6099 11.6931 11.7646 11.7646 11.9198 11.9198 k = 0.3333 0.5774 0.1275 ( 2535 PWs) bands (ev): -8.8336 -8.8306 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9512 2.9590 2.9612 2.9612 3.2282 3.2282 3.3001 3.3001 3.7361 3.7526 3.7849 3.7849 4.8430 4.8430 4.9545 4.9545 5.1745 5.1747 5.3770 5.3770 6.3014 6.3014 6.3397 6.3744 7.1219 7.1219 7.1364 7.1716 8.5789 8.5789 8.6541 8.6541 9.0481 9.0630 9.0630 9.0863 11.5813 11.5813 11.6148 11.6872 11.7643 11.7643 11.9003 11.9003 k = 0.3333 0.5774 0.1373 ( 2538 PWs) bands (ev): -8.8334 -8.8308 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9493 2.9558 2.9637 2.9637 3.2241 3.2241 3.2963 3.2963 3.7429 3.7568 3.7939 3.7939 4.8379 4.8379 4.9551 4.9551 5.1697 5.1700 5.3762 5.3762 6.3039 6.3039 6.3444 6.3736 7.1214 7.1214 7.1391 7.1689 8.5798 8.5798 8.6531 8.6531 9.0509 9.0611 9.0611 9.0831 11.6020 11.6020 11.6200 11.6811 11.7642 11.7642 11.8804 11.8804 k = 0.3333 0.5774 0.1471 ( 2538 PWs) bands (ev): -8.8332 -8.8310 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9477 2.9530 2.9658 2.9658 3.2208 3.2208 3.2929 3.2929 3.7489 3.7602 3.8016 3.8016 4.8334 4.8334 4.9558 4.9558 5.1656 5.1659 5.3755 5.3755 6.3061 6.3061 6.3489 6.3725 7.1211 7.1211 7.1420 7.1660 8.5807 8.5807 8.6523 8.6523 9.0538 9.0595 9.0595 9.0799 11.6225 11.6225 11.6255 11.6749 11.7642 11.7642 11.8605 11.8605 k = 0.3333 0.5774 0.1569 ( 2541 PWs) bands (ev): -8.8329 -8.8313 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9466 2.9506 2.9676 2.9676 3.2181 3.2181 3.2902 3.2902 3.7540 3.7626 3.8078 3.8078 4.8296 4.8296 4.9564 4.9564 5.1623 5.1626 5.3749 5.3749 6.3078 6.3078 6.3532 6.3710 7.1208 7.1208 7.1449 7.1631 8.5814 8.5814 8.6516 8.6516 9.0568 9.0583 9.0583 9.0766 11.6312 11.6417 11.6417 11.6686 11.7646 11.7646 11.8413 11.8413 k = 0.3333 0.5774 0.1667 ( 2535 PWs) bands (ev): -8.8326 -8.8316 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9460 2.9487 2.9689 2.9689 3.2162 3.2162 3.2882 3.2882 3.7582 3.7640 3.8123 3.8123 4.8268 4.8268 4.9569 4.9569 5.1599 5.1601 5.3745 5.3745 6.3091 6.3091 6.3571 6.3691 7.1206 7.1206 7.1479 7.1601 8.5820 8.5820 8.6511 8.6511 9.0573 9.0573 9.0600 9.0732 11.6371 11.6585 11.6585 11.6622 11.7653 11.7653 11.8241 11.8241 k = 0.3333 0.5774 0.1765 ( 2532 PWs) bands (ev): -8.8324 -8.8318 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9459 2.9473 2.9697 2.9697 3.2151 3.2151 3.2869 3.2869 3.7613 3.7642 3.8151 3.8151 4.8250 4.8250 4.9572 4.9572 5.1585 5.1586 5.3742 5.3742 6.3099 6.3099 6.3607 6.3667 7.1205 7.1205 7.1509 7.1570 8.5823 8.5823 8.6508 8.6508 9.0567 9.0567 9.0632 9.0698 11.6433 11.6558 11.6705 11.6705 11.7665 11.7665 11.8112 11.8112 k = 0.3333 0.5774 0.1863 ( 2532 PWs) bands (ev): -8.8321 -8.8321 -8.8163 -8.8163 -8.7488 -8.7488 -8.7329 -8.7329 2.9463 2.9463 2.9700 2.9700 3.2147 3.2147 3.2865 3.2865 3.7634 3.7634 3.8160 3.8160 4.8244 4.8244 4.9573 4.9573 5.1580 5.1580 5.3741 5.3741 6.3101 6.3101 6.3639 6.3639 7.1204 7.1204 7.1540 7.1540 8.5824 8.5824 8.6507 8.6507 9.0565 9.0565 9.0665 9.0665 11.6495 11.6495 11.6750 11.6750 11.7671 11.7671 11.8061 11.8061 Writing output data file PtO2.save init_run : 2.94s CPU 13.80s WALL ( 1 calls) electrons : 733.77s CPU 748.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.43s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 733.73s CPU 748.22s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.94s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.12s CPU 0.58s WALL ( 1 calls) newd : 0.36s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 388 calls) cegterg : 591.39s CPU 598.16s WALL ( 727 calls) Called by sum_band: Called by *egterg: h_psi : 258.42s CPU 266.29s WALL ( 9941 calls) s_psi : 28.59s CPU 29.07s WALL ( 9941 calls) g_psi : 0.61s CPU 0.64s WALL ( 8826 calls) cdiaghg : 210.13s CPU 209.53s WALL ( 9214 calls) cegterg:over : 68.16s CPU 65.84s WALL ( 8826 calls) cegterg:upda : 9.17s CPU 11.64s WALL ( 8826 calls) cegterg:last : 9.30s CPU 10.26s WALL ( 2667 calls) Called by h_psi: h_psi:vloc : 197.58s CPU 203.82s WALL ( 9941 calls) h_psi:vnl : 60.68s CPU 61.80s WALL ( 9941 calls) add_vuspsi : 18.38s CPU 21.84s WALL ( 9941 calls) General routines calbec : 42.26s CPU 39.88s WALL ( 9941 calls) fft : 0.33s CPU 1.41s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 185.92s CPU 190.85s WALL ( 1718788 calls) interpolate : 0.05s CPU 0.10s WALL ( 4 calls) davcio : 0.04s CPU 6.48s WALL ( 776 calls) Parallel routines fft_scatter : 115.37s CPU 120.34s WALL ( 1718811 calls) PWSCF : 13m45.28s CPU 16m26.77s WALL This run was terminated on: 15:49:23 27Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=