Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:26: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 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: ./Si3N4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 126 69 20 2642 1063 176 Max 127 70 21 2644 1076 179 Sum 4543 2515 745 95149 38609 6385 bravais-lattice index = 14 lattice parameter (alat) = 14.3525 a.u. unit-cell volume = 978.4193 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.352469 celldm(2)= 1.000000 celldm(3)= 0.382133 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 0.382133 ) 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 2.616890 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) N 5.00 14.00670 N( 1.00) 6 Sym. Ops. (no inversion) found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.1910665 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.1910665 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.1910665 ) 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 ) double point group C_6 (6) there are 12 classes and 6 irreducible representations the character table: E -E C6 -C6 C3 -C3 C2 -C2 C3^2 -C3^2 C6^5 -C6^5 G_7 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_8 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_9 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_10 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_11 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_12 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C6 -C6 C3 -C3 C2 -C2 C3^2 -C3^2 C6^5 -C6^5 G_7 0.00 0.00 0.50 -0.50 0.87 -0.87 1.00 -1.00 -0.87 0.87 -0.50 0.50 G_8 0.00 0.00 -0.50 0.50 -0.87 0.87 -1.00 1.00 0.87 -0.87 0.50 -0.50 G_9 0.00 0.00 -0.50 0.50 0.87 -0.87 -1.00 1.00 -0.87 0.87 0.50 -0.50 G_10 0.00 0.00 0.50 -0.50 -0.87 0.87 1.00 -1.00 0.87 -0.87 -0.50 0.50 G_11 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_12 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C6 3 60 deg rotation - cryst. axis [0,0,1] -C6 -3 60 deg rotation - cryst. axis [0,0,1] E C3 5 120 deg rotation - cryst. axis [0,0,1] -C3 -5 120 deg rotation - cryst. axis [0,0,1] E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E C3^2 6 120 deg rotation - cryst. axis [0,0,-1] -C3^2 -6 120 deg rotation - cryst. axis [0,0,-1] E C6^5 4 60 deg rotation - cryst. axis [0,0,-1] -C6^5 -4 60 deg rotation - cryst. axis [0,0,-1] E Cartesian axes number of k points= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0032680 k( 6) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0032680 k( 7) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0032680 k( 8) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0032680 k( 9) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0032680 k( 10) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0032680 k( 11) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0032680 k( 12) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0032680 k( 13) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032680 k( 14) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0032680 k( 15) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0032680 k( 16) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0032680 k( 17) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0032680 k( 18) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0032680 k( 19) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0032680 k( 20) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0032680 k( 21) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0032680 k( 22) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0032680 k( 23) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0032680 k( 24) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0032680 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 27) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0032680 k( 28) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0032680 k( 29) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0032680 k( 30) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0032680 k( 31) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0032680 k( 32) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0032680 k( 33) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032680 k( 34) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0032680 k( 35) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0032680 k( 36) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0032680 k( 37) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0032680 k( 38) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0032680 k( 39) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0032680 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 41) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 42) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0032680 k( 43) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0032680 k( 44) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0032680 k( 45) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0032680 k( 46) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0032680 k( 47) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0032680 k( 48) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0032680 k( 49) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0032680 k( 50) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0032680 k( 51) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0032680 k( 52) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0032680 k( 53) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0032680 k( 54) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0032680 k( 55) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0032680 k( 56) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0032680 k( 57) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0032680 k( 58) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0032680 k( 59) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0032680 k( 60) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0032680 k( 61) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0032680 k( 62) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0032680 k( 63) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0032680 k( 64) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0032680 k( 65) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0032680 k( 66) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0032680 k( 67) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0032680 k( 68) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0032680 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 71) = ( 0.0000000 0.0000000 0.0237899), wk = 0.0032680 k( 72) = ( 0.0000000 0.0000000 0.0475798), wk = 0.0032680 k( 73) = ( 0.0000000 0.0000000 0.0713697), wk = 0.0032680 k( 74) = ( 0.0000000 0.0000000 0.0951596), wk = 0.0032680 k( 75) = ( 0.0000000 0.0000000 0.1189496), wk = 0.0032680 k( 76) = ( 0.0000000 0.0000000 0.1427394), wk = 0.0032680 k( 77) = ( 0.0000000 0.0000000 0.1665294), wk = 0.0032680 k( 78) = ( 0.0000000 0.0000000 0.1903193), wk = 0.0032680 k( 79) = ( 0.0000000 0.0000000 0.2141092), wk = 0.0032680 k( 80) = ( 0.0000000 0.0000000 0.2378991), wk = 0.0032680 k( 81) = ( 0.0000000 0.0000000 0.2616890), wk = 0.0032680 k( 82) = ( 0.0000000 0.0000000 0.2854789), wk = 0.0032680 k( 83) = ( 0.0000000 0.0000000 0.3092688), wk = 0.0032680 k( 84) = ( 0.0000000 0.0000000 0.3330587), wk = 0.0032680 k( 85) = ( 0.0000000 0.0000000 0.3568487), wk = 0.0032680 k( 86) = ( 0.0000000 0.0000000 0.3806386), wk = 0.0032680 k( 87) = ( 0.0000000 0.0000000 0.4044285), wk = 0.0032680 k( 88) = ( 0.0000000 0.0000000 0.4282184), wk = 0.0032680 k( 89) = ( 0.0000000 0.0000000 0.4520083), wk = 0.0032680 k( 90) = ( 0.0000000 0.0000000 0.4757982), wk = 0.0032680 k( 91) = ( 0.0000000 0.0000000 0.4995881), wk = 0.0032680 k( 92) = ( 0.0000000 0.0000000 0.5233780), wk = 0.0032680 k( 93) = ( 0.0000000 0.0000000 0.5471679), wk = 0.0032680 k( 94) = ( 0.0000000 0.0000000 0.5709578), wk = 0.0032680 k( 95) = ( 0.0000000 0.0000000 0.5947477), wk = 0.0032680 k( 96) = ( 0.0000000 0.0000000 0.6185377), wk = 0.0032680 k( 97) = ( 0.0000000 0.0000000 0.6423276), wk = 0.0032680 k( 98) = ( 0.0000000 0.0000000 0.6661175), wk = 0.0032680 k( 99) = ( 0.0000000 0.0000000 0.6899074), wk = 0.0032680 k( 100) = ( 0.0000000 0.0000000 0.7136973), wk = 0.0032680 k( 101) = ( 0.0000000 0.0000000 0.7374872), wk = 0.0032680 k( 102) = ( 0.0000000 0.0000000 0.7612771), wk = 0.0032680 k( 103) = ( 0.0000000 0.0000000 0.7850670), wk = 0.0032680 k( 104) = ( 0.0000000 0.0000000 0.8088569), wk = 0.0032680 k( 105) = ( 0.0000000 0.0000000 0.8326468), wk = 0.0032680 k( 106) = ( 0.0000000 0.0000000 0.8564368), wk = 0.0032680 k( 107) = ( 0.0000000 0.0000000 0.8802267), wk = 0.0032680 k( 108) = ( 0.0000000 0.0000000 0.9040166), wk = 0.0032680 k( 109) = ( 0.0000000 0.0000000 0.9278065), wk = 0.0032680 k( 110) = ( 0.0000000 0.0000000 0.9515964), wk = 0.0032680 k( 111) = ( 0.0000000 0.0000000 0.9753863), wk = 0.0032680 k( 112) = ( 0.0000000 0.0000000 0.9991762), wk = 0.0032680 k( 113) = ( 0.0000000 0.0000000 1.0229661), wk = 0.0032680 k( 114) = ( 0.0000000 0.0000000 1.0467560), wk = 0.0032680 k( 115) = ( 0.0000000 0.0000000 1.0705459), wk = 0.0032680 k( 116) = ( 0.0000000 0.0000000 1.0943358), wk = 0.0032680 k( 117) = ( 0.0000000 0.0000000 1.1181258), wk = 0.0032680 k( 118) = ( 0.0000000 0.0000000 1.1419157), wk = 0.0032680 k( 119) = ( 0.0000000 0.0000000 1.1657056), wk = 0.0032680 k( 120) = ( 0.0000000 0.0000000 1.1894955), wk = 0.0032680 k( 121) = ( 0.0000000 0.0000000 1.2132854), wk = 0.0032680 k( 122) = ( 0.0000000 0.0000000 1.2370753), wk = 0.0032680 k( 123) = ( 0.0000000 0.0000000 1.2608652), wk = 0.0032680 k( 124) = ( 0.0000000 0.0000000 1.2846551), wk = 0.0032680 k( 125) = ( 0.0000000 0.0000000 1.3084450), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 1.3084450), wk = 0.0032680 k( 127) = ( 0.0208333 0.0120281 1.3084450), wk = 0.0032680 k( 128) = ( 0.0416667 0.0240563 1.3084450), wk = 0.0032680 k( 129) = ( 0.0625000 0.0360844 1.3084450), wk = 0.0032680 k( 130) = ( 0.0833333 0.0481125 1.3084450), wk = 0.0032680 k( 131) = ( 0.1041667 0.0601407 1.3084450), wk = 0.0032680 k( 132) = ( 0.1250000 0.0721688 1.3084450), wk = 0.0032680 k( 133) = ( 0.1458333 0.0841969 1.3084450), wk = 0.0032680 k( 134) = ( 0.1666667 0.0962250 1.3084450), wk = 0.0032680 k( 135) = ( 0.1875000 0.1082532 1.3084450), wk = 0.0032680 k( 136) = ( 0.2083333 0.1202813 1.3084450), wk = 0.0032680 k( 137) = ( 0.2291667 0.1323094 1.3084450), wk = 0.0032680 k( 138) = ( 0.2500000 0.1443376 1.3084450), wk = 0.0032680 k( 139) = ( 0.2708333 0.1563657 1.3084450), wk = 0.0032680 k( 140) = ( 0.2916667 0.1683938 1.3084450), wk = 0.0032680 k( 141) = ( 0.3125000 0.1804220 1.3084450), wk = 0.0032680 k( 142) = ( 0.3333333 0.1924501 1.3084450), wk = 0.0032680 k( 143) = ( 0.3541667 0.2044782 1.3084450), wk = 0.0032680 k( 144) = ( 0.3750000 0.2165064 1.3084450), wk = 0.0032680 k( 145) = ( 0.3958333 0.2285345 1.3084450), wk = 0.0032680 k( 146) = ( 0.4166667 0.2405626 1.3084450), wk = 0.0032680 k( 147) = ( 0.4375000 0.2525907 1.3084450), wk = 0.0032680 k( 148) = ( 0.4583333 0.2646189 1.3084450), wk = 0.0032680 k( 149) = ( 0.4791667 0.2766470 1.3084450), wk = 0.0032680 k( 150) = ( 0.5000000 0.2886751 1.3084450), wk = 0.0032680 k( 151) = ( 0.5000000 0.2886751 1.3084450), wk = 0.0032680 k( 152) = ( 0.4880952 0.3092948 1.3084450), wk = 0.0032680 k( 153) = ( 0.4761905 0.3299144 1.3084450), wk = 0.0032680 k( 154) = ( 0.4642857 0.3505341 1.3084450), wk = 0.0032680 k( 155) = ( 0.4523810 0.3711537 1.3084450), wk = 0.0032680 k( 156) = ( 0.4404762 0.3917734 1.3084450), wk = 0.0032680 k( 157) = ( 0.4285714 0.4123930 1.3084450), wk = 0.0032680 k( 158) = ( 0.4166667 0.4330127 1.3084450), wk = 0.0032680 k( 159) = ( 0.4047619 0.4536324 1.3084450), wk = 0.0032680 k( 160) = ( 0.3928571 0.4742520 1.3084450), wk = 0.0032680 k( 161) = ( 0.3809524 0.4948717 1.3084450), wk = 0.0032680 k( 162) = ( 0.3690476 0.5154913 1.3084450), wk = 0.0032680 k( 163) = ( 0.3571429 0.5361110 1.3084450), wk = 0.0032680 k( 164) = ( 0.3452381 0.5567306 1.3084450), wk = 0.0032680 k( 165) = ( 0.3333333 0.5773503 1.3084450), wk = 0.0032680 k( 166) = ( 0.3333333 0.5773503 1.3084450), wk = 0.0032680 k( 167) = ( 0.3214286 0.5567306 1.3084450), wk = 0.0032680 k( 168) = ( 0.3095238 0.5361110 1.3084450), wk = 0.0032680 k( 169) = ( 0.2976190 0.5154913 1.3084450), wk = 0.0032680 k( 170) = ( 0.2857143 0.4948717 1.3084450), wk = 0.0032680 k( 171) = ( 0.2738095 0.4742520 1.3084450), wk = 0.0032680 k( 172) = ( 0.2619048 0.4536324 1.3084450), wk = 0.0032680 k( 173) = ( 0.2500000 0.4330127 1.3084450), wk = 0.0032680 k( 174) = ( 0.2380952 0.4123931 1.3084450), wk = 0.0032680 k( 175) = ( 0.2261905 0.3917734 1.3084450), wk = 0.0032680 k( 176) = ( 0.2142857 0.3711537 1.3084450), wk = 0.0032680 k( 177) = ( 0.2023810 0.3505341 1.3084450), wk = 0.0032680 k( 178) = ( 0.1904762 0.3299144 1.3084450), wk = 0.0032680 k( 179) = ( 0.1785714 0.3092948 1.3084450), wk = 0.0032680 k( 180) = ( 0.1666667 0.2886751 1.3084450), wk = 0.0032680 k( 181) = ( 0.1547619 0.2680555 1.3084450), wk = 0.0032680 k( 182) = ( 0.1428571 0.2474358 1.3084450), wk = 0.0032680 k( 183) = ( 0.1309524 0.2268162 1.3084450), wk = 0.0032680 k( 184) = ( 0.1190476 0.2061965 1.3084450), wk = 0.0032680 k( 185) = ( 0.1071429 0.1855769 1.3084450), wk = 0.0032680 k( 186) = ( 0.0952381 0.1649572 1.3084450), wk = 0.0032680 k( 187) = ( 0.0833333 0.1443376 1.3084450), wk = 0.0032680 k( 188) = ( 0.0714286 0.1237179 1.3084450), wk = 0.0032680 k( 189) = ( 0.0595238 0.1030983 1.3084450), wk = 0.0032680 k( 190) = ( 0.0476191 0.0824786 1.3084450), wk = 0.0032680 k( 191) = ( 0.0357143 0.0618590 1.3084450), wk = 0.0032680 k( 192) = ( 0.0238095 0.0412393 1.3084450), wk = 0.0032680 k( 193) = ( 0.0119048 0.0206196 1.3084450), wk = 0.0032680 k( 194) = ( 0.0000000 0.0000000 1.3084450), wk = 0.0032680 k( 195) = ( 0.5000000 0.2886751 1.3084450), wk = 0.0032680 k( 196) = ( 0.5000000 0.2886751 1.2846551), wk = 0.0032680 k( 197) = ( 0.5000000 0.2886751 1.2608652), wk = 0.0032680 k( 198) = ( 0.5000000 0.2886751 1.2370753), wk = 0.0032680 k( 199) = ( 0.5000000 0.2886751 1.2132854), wk = 0.0032680 k( 200) = ( 0.5000000 0.2886751 1.1894955), wk = 0.0032680 k( 201) = ( 0.5000000 0.2886751 1.1657056), wk = 0.0032680 k( 202) = ( 0.5000000 0.2886751 1.1419157), wk = 0.0032680 k( 203) = ( 0.5000000 0.2886751 1.1181258), wk = 0.0032680 k( 204) = ( 0.5000000 0.2886751 1.0943358), wk = 0.0032680 k( 205) = ( 0.5000000 0.2886751 1.0705459), wk = 0.0032680 k( 206) = ( 0.5000000 0.2886751 1.0467560), wk = 0.0032680 k( 207) = ( 0.5000000 0.2886751 1.0229661), wk = 0.0032680 k( 208) = ( 0.5000000 0.2886751 0.9991762), wk = 0.0032680 k( 209) = ( 0.5000000 0.2886751 0.9753863), wk = 0.0032680 k( 210) = ( 0.5000000 0.2886751 0.9515964), wk = 0.0032680 k( 211) = ( 0.5000000 0.2886751 0.9278065), wk = 0.0032680 k( 212) = ( 0.5000000 0.2886751 0.9040166), wk = 0.0032680 k( 213) = ( 0.5000000 0.2886751 0.8802267), wk = 0.0032680 k( 214) = ( 0.5000000 0.2886751 0.8564368), wk = 0.0032680 k( 215) = ( 0.5000000 0.2886751 0.8326468), wk = 0.0032680 k( 216) = ( 0.5000000 0.2886751 0.8088569), wk = 0.0032680 k( 217) = ( 0.5000000 0.2886751 0.7850670), wk = 0.0032680 k( 218) = ( 0.5000000 0.2886751 0.7612771), wk = 0.0032680 k( 219) = ( 0.5000000 0.2886751 0.7374872), wk = 0.0032680 k( 220) = ( 0.5000000 0.2886751 0.7136973), wk = 0.0032680 k( 221) = ( 0.5000000 0.2886751 0.6899074), wk = 0.0032680 k( 222) = ( 0.5000000 0.2886751 0.6661175), wk = 0.0032680 k( 223) = ( 0.5000000 0.2886751 0.6423276), wk = 0.0032680 k( 224) = ( 0.5000000 0.2886751 0.6185377), wk = 0.0032680 k( 225) = ( 0.5000000 0.2886751 0.5947477), wk = 0.0032680 k( 226) = ( 0.5000000 0.2886751 0.5709578), wk = 0.0032680 k( 227) = ( 0.5000000 0.2886751 0.5471679), wk = 0.0032680 k( 228) = ( 0.5000000 0.2886751 0.5233780), wk = 0.0032680 k( 229) = ( 0.5000000 0.2886751 0.4995881), wk = 0.0032680 k( 230) = ( 0.5000000 0.2886751 0.4757982), wk = 0.0032680 k( 231) = ( 0.5000000 0.2886751 0.4520083), wk = 0.0032680 k( 232) = ( 0.5000000 0.2886751 0.4282184), wk = 0.0032680 k( 233) = ( 0.5000000 0.2886751 0.4044285), wk = 0.0032680 k( 234) = ( 0.5000000 0.2886751 0.3806386), wk = 0.0032680 k( 235) = ( 0.5000000 0.2886751 0.3568487), wk = 0.0032680 k( 236) = ( 0.5000000 0.2886751 0.3330587), wk = 0.0032680 k( 237) = ( 0.5000000 0.2886751 0.3092688), wk = 0.0032680 k( 238) = ( 0.5000000 0.2886751 0.2854789), wk = 0.0032680 k( 239) = ( 0.5000000 0.2886751 0.2616890), wk = 0.0032680 k( 240) = ( 0.5000000 0.2886751 0.2378991), wk = 0.0032680 k( 241) = ( 0.5000000 0.2886751 0.2141092), wk = 0.0032680 k( 242) = ( 0.5000000 0.2886751 0.1903193), wk = 0.0032680 k( 243) = ( 0.5000000 0.2886751 0.1665294), wk = 0.0032680 k( 244) = ( 0.5000000 0.2886751 0.1427394), wk = 0.0032680 k( 245) = ( 0.5000000 0.2886751 0.1189496), wk = 0.0032680 k( 246) = ( 0.5000000 0.2886751 0.0951596), wk = 0.0032680 k( 247) = ( 0.5000000 0.2886751 0.0713697), wk = 0.0032680 k( 248) = ( 0.5000000 0.2886751 0.0475798), wk = 0.0032680 k( 249) = ( 0.5000000 0.2886751 0.0237899), wk = 0.0032680 k( 250) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 251) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 252) = ( 0.3333333 0.5773503 0.0237899), wk = 0.0032680 k( 253) = ( 0.3333333 0.5773503 0.0475798), wk = 0.0032680 k( 254) = ( 0.3333333 0.5773503 0.0713697), wk = 0.0032680 k( 255) = ( 0.3333333 0.5773503 0.0951596), wk = 0.0032680 k( 256) = ( 0.3333333 0.5773503 0.1189496), wk = 0.0032680 k( 257) = ( 0.3333333 0.5773503 0.1427394), wk = 0.0032680 k( 258) = ( 0.3333333 0.5773503 0.1665294), wk = 0.0032680 k( 259) = ( 0.3333333 0.5773503 0.1903193), wk = 0.0032680 k( 260) = ( 0.3333333 0.5773503 0.2141092), wk = 0.0032680 k( 261) = ( 0.3333333 0.5773503 0.2378991), wk = 0.0032680 k( 262) = ( 0.3333333 0.5773503 0.2616890), wk = 0.0032680 k( 263) = ( 0.3333333 0.5773503 0.2854789), wk = 0.0032680 k( 264) = ( 0.3333333 0.5773503 0.3092688), wk = 0.0032680 k( 265) = ( 0.3333333 0.5773503 0.3330587), wk = 0.0032680 k( 266) = ( 0.3333333 0.5773503 0.3568487), wk = 0.0032680 k( 267) = ( 0.3333333 0.5773503 0.3806386), wk = 0.0032680 k( 268) = ( 0.3333333 0.5773503 0.4044285), wk = 0.0032680 k( 269) = ( 0.3333333 0.5773503 0.4282184), wk = 0.0032680 k( 270) = ( 0.3333333 0.5773503 0.4520083), wk = 0.0032680 k( 271) = ( 0.3333333 0.5773503 0.4757982), wk = 0.0032680 k( 272) = ( 0.3333333 0.5773503 0.4995881), wk = 0.0032680 k( 273) = ( 0.3333333 0.5773503 0.5233780), wk = 0.0032680 k( 274) = ( 0.3333333 0.5773503 0.5471679), wk = 0.0032680 k( 275) = ( 0.3333333 0.5773503 0.5709578), wk = 0.0032680 k( 276) = ( 0.3333333 0.5773503 0.5947477), wk = 0.0032680 k( 277) = ( 0.3333333 0.5773503 0.6185377), wk = 0.0032680 k( 278) = ( 0.3333333 0.5773503 0.6423276), wk = 0.0032680 k( 279) = ( 0.3333333 0.5773503 0.6661175), wk = 0.0032680 k( 280) = ( 0.3333333 0.5773503 0.6899074), wk = 0.0032680 k( 281) = ( 0.3333333 0.5773503 0.7136973), wk = 0.0032680 k( 282) = ( 0.3333333 0.5773503 0.7374872), wk = 0.0032680 k( 283) = ( 0.3333333 0.5773503 0.7612771), wk = 0.0032680 k( 284) = ( 0.3333333 0.5773503 0.7850670), wk = 0.0032680 k( 285) = ( 0.3333333 0.5773503 0.8088569), wk = 0.0032680 k( 286) = ( 0.3333333 0.5773503 0.8326468), wk = 0.0032680 k( 287) = ( 0.3333333 0.5773503 0.8564368), wk = 0.0032680 k( 288) = ( 0.3333333 0.5773503 0.8802267), wk = 0.0032680 k( 289) = ( 0.3333333 0.5773503 0.9040166), wk = 0.0032680 k( 290) = ( 0.3333333 0.5773503 0.9278065), wk = 0.0032680 k( 291) = ( 0.3333333 0.5773503 0.9515964), wk = 0.0032680 k( 292) = ( 0.3333333 0.5773503 0.9753863), wk = 0.0032680 k( 293) = ( 0.3333333 0.5773503 0.9991762), wk = 0.0032680 k( 294) = ( 0.3333333 0.5773503 1.0229661), wk = 0.0032680 k( 295) = ( 0.3333333 0.5773503 1.0467560), wk = 0.0032680 k( 296) = ( 0.3333333 0.5773503 1.0705459), wk = 0.0032680 k( 297) = ( 0.3333333 0.5773503 1.0943358), wk = 0.0032680 k( 298) = ( 0.3333333 0.5773503 1.1181258), wk = 0.0032680 k( 299) = ( 0.3333333 0.5773503 1.1419157), wk = 0.0032680 k( 300) = ( 0.3333333 0.5773503 1.1657056), wk = 0.0032680 k( 301) = ( 0.3333333 0.5773503 1.1894955), wk = 0.0032680 k( 302) = ( 0.3333333 0.5773503 1.2132854), wk = 0.0032680 k( 303) = ( 0.3333333 0.5773503 1.2370753), wk = 0.0032680 k( 304) = ( 0.3333333 0.5773503 1.2608652), wk = 0.0032680 k( 305) = ( 0.3333333 0.5773503 1.2846551), wk = 0.0032680 k( 306) = ( 0.3333333 0.5773503 1.3084450), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0208333 -0.0000000 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0032680 k( 4) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0032680 k( 6) = ( 0.1041667 -0.0000000 0.0000000), wk = 0.0032680 k( 7) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0032680 k( 8) = ( 0.1458333 -0.0000000 0.0000000), wk = 0.0032680 k( 9) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0032680 k( 10) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0032680 k( 11) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0032680 k( 12) = ( 0.2291667 -0.0000000 -0.0000000), wk = 0.0032680 k( 13) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0032680 k( 14) = ( 0.2708333 -0.0000000 -0.0000000), wk = 0.0032680 k( 15) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0032680 k( 16) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0032680 k( 17) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0032680 k( 18) = ( 0.3541667 -0.0000000 -0.0000000), wk = 0.0032680 k( 19) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0032680 k( 20) = ( 0.3958333 -0.0000000 -0.0000000), wk = 0.0032680 k( 21) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0032680 k( 22) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0032680 k( 23) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0032680 k( 24) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0032680 k( 25) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032680 k( 26) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032680 k( 27) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0032680 k( 28) = ( 0.4761905 0.0476190 -0.0000000), wk = 0.0032680 k( 29) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0032680 k( 30) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0032680 k( 31) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0032680 k( 32) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0032680 k( 33) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0032680 k( 34) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0032680 k( 35) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0032680 k( 36) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0032680 k( 37) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0032680 k( 38) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0032680 k( 39) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0032680 k( 40) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032680 k( 41) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032680 k( 42) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032680 k( 43) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0032680 k( 44) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0032680 k( 45) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032680 k( 46) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0032680 k( 47) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0032680 k( 48) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032680 k( 49) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0032680 k( 50) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0032680 k( 51) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032680 k( 52) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0032680 k( 53) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0032680 k( 54) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032680 k( 55) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032680 k( 56) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0032680 k( 57) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032680 k( 58) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0032680 k( 59) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0032680 k( 60) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032680 k( 61) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0032680 k( 62) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0032680 k( 63) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032680 k( 64) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0032680 k( 65) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0032680 k( 66) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032680 k( 67) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0032680 k( 68) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0032680 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 71) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0032680 k( 72) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0032680 k( 73) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0032680 k( 74) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0032680 k( 75) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0032680 k( 76) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0032680 k( 77) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0032680 k( 78) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0032680 k( 79) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0032680 k( 80) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0032680 k( 81) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032680 k( 82) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0032680 k( 83) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0032680 k( 84) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0032680 k( 85) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0032680 k( 86) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0032680 k( 87) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0032680 k( 88) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0032680 k( 89) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0032680 k( 90) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0032680 k( 91) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0032680 k( 92) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032680 k( 93) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0032680 k( 94) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0032680 k( 95) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0032680 k( 96) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0032680 k( 97) = ( 0.0000000 0.0000000 0.2454546), wk = 0.0032680 k( 98) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0032680 k( 99) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0032680 k( 100) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0032680 k( 101) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0032680 k( 102) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0032680 k( 103) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032680 k( 104) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0032680 k( 105) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0032680 k( 106) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0032680 k( 107) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0032680 k( 108) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0032680 k( 109) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0032680 k( 110) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0032680 k( 111) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0032680 k( 112) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0032680 k( 113) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0032680 k( 114) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032680 k( 115) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0032680 k( 116) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0032680 k( 117) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0032680 k( 118) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0032680 k( 119) = ( 0.0000000 0.0000000 0.4454545), wk = 0.0032680 k( 120) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0032680 k( 121) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0032680 k( 122) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0032680 k( 123) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0032680 k( 124) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0032680 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 127) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0032680 k( 128) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0032680 k( 129) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0032680 k( 130) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0032680 k( 131) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0032680 k( 132) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0032680 k( 133) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0032680 k( 134) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0032680 k( 135) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0032680 k( 136) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0032680 k( 137) = ( 0.2291667 -0.0000000 0.5000000), wk = 0.0032680 k( 138) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0032680 k( 139) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0032680 k( 140) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0032680 k( 141) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0032680 k( 142) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0032680 k( 143) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0032680 k( 144) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0032680 k( 145) = ( 0.3958333 -0.0000000 0.5000000), wk = 0.0032680 k( 146) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0032680 k( 147) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0032680 k( 148) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0032680 k( 149) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0032680 k( 150) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032680 k( 151) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032680 k( 152) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0032680 k( 153) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0032680 k( 154) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0032680 k( 155) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0032680 k( 156) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0032680 k( 157) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0032680 k( 158) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032680 k( 159) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0032680 k( 160) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0032680 k( 161) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0032680 k( 162) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0032680 k( 163) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0032680 k( 164) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0032680 k( 165) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 k( 166) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 k( 167) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0032680 k( 168) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0032680 k( 169) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0032680 k( 170) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0032680 k( 171) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0032680 k( 172) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0032680 k( 173) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032680 k( 174) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0032680 k( 175) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0032680 k( 176) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0032680 k( 177) = ( 0.2023810 0.2023809 0.5000000), wk = 0.0032680 k( 178) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0032680 k( 179) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0032680 k( 180) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032680 k( 181) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0032680 k( 182) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0032680 k( 183) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0032680 k( 184) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0032680 k( 185) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0032680 k( 186) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0032680 k( 187) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0032680 k( 188) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0032680 k( 189) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0032680 k( 190) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0032680 k( 191) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0032680 k( 192) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0032680 k( 193) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0032680 k( 194) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 195) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032680 k( 196) = ( 0.5000000 -0.0000000 0.4909091), wk = 0.0032680 k( 197) = ( 0.5000000 -0.0000000 0.4818182), wk = 0.0032680 k( 198) = ( 0.5000000 -0.0000000 0.4727273), wk = 0.0032680 k( 199) = ( 0.5000000 -0.0000000 0.4636364), wk = 0.0032680 k( 200) = ( 0.5000000 -0.0000000 0.4545454), wk = 0.0032680 k( 201) = ( 0.5000000 -0.0000000 0.4454546), wk = 0.0032680 k( 202) = ( 0.5000000 -0.0000000 0.4363636), wk = 0.0032680 k( 203) = ( 0.5000000 -0.0000000 0.4272727), wk = 0.0032680 k( 204) = ( 0.5000000 -0.0000000 0.4181818), wk = 0.0032680 k( 205) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0032680 k( 206) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0032680 k( 207) = ( 0.5000000 -0.0000000 0.3909091), wk = 0.0032680 k( 208) = ( 0.5000000 -0.0000000 0.3818182), wk = 0.0032680 k( 209) = ( 0.5000000 -0.0000000 0.3727273), wk = 0.0032680 k( 210) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0032680 k( 211) = ( 0.5000000 -0.0000000 0.3545454), wk = 0.0032680 k( 212) = ( 0.5000000 -0.0000000 0.3454546), wk = 0.0032680 k( 213) = ( 0.5000000 -0.0000000 0.3363636), wk = 0.0032680 k( 214) = ( 0.5000000 -0.0000000 0.3272727), wk = 0.0032680 k( 215) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0032680 k( 216) = ( 0.5000000 -0.0000000 0.3090909), wk = 0.0032680 k( 217) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0032680 k( 218) = ( 0.5000000 -0.0000000 0.2909091), wk = 0.0032680 k( 219) = ( 0.5000000 -0.0000000 0.2818182), wk = 0.0032680 k( 220) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0032680 k( 221) = ( 0.5000000 -0.0000000 0.2636364), wk = 0.0032680 k( 222) = ( 0.5000000 -0.0000000 0.2545455), wk = 0.0032680 k( 223) = ( 0.5000000 -0.0000000 0.2454545), wk = 0.0032680 k( 224) = ( 0.5000000 -0.0000000 0.2363636), wk = 0.0032680 k( 225) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0032680 k( 226) = ( 0.5000000 -0.0000000 0.2181818), wk = 0.0032680 k( 227) = ( 0.5000000 -0.0000000 0.2090909), wk = 0.0032680 k( 228) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0032680 k( 229) = ( 0.5000000 -0.0000000 0.1909091), wk = 0.0032680 k( 230) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0032680 k( 231) = ( 0.5000000 -0.0000000 0.1727273), wk = 0.0032680 k( 232) = ( 0.5000000 -0.0000000 0.1636364), wk = 0.0032680 k( 233) = ( 0.5000000 -0.0000000 0.1545455), wk = 0.0032680 k( 234) = ( 0.5000000 -0.0000000 0.1454545), wk = 0.0032680 k( 235) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0032680 k( 236) = ( 0.5000000 -0.0000000 0.1272727), wk = 0.0032680 k( 237) = ( 0.5000000 -0.0000000 0.1181818), wk = 0.0032680 k( 238) = ( 0.5000000 -0.0000000 0.1090909), wk = 0.0032680 k( 239) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0032680 k( 240) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0032680 k( 241) = ( 0.5000000 -0.0000000 0.0818182), wk = 0.0032680 k( 242) = ( 0.5000000 -0.0000000 0.0727273), wk = 0.0032680 k( 243) = ( 0.5000000 -0.0000000 0.0636364), wk = 0.0032680 k( 244) = ( 0.5000000 -0.0000000 0.0545454), wk = 0.0032680 k( 245) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0032680 k( 246) = ( 0.5000000 -0.0000000 0.0363636), wk = 0.0032680 k( 247) = ( 0.5000000 -0.0000000 0.0272727), wk = 0.0032680 k( 248) = ( 0.5000000 -0.0000000 0.0181818), wk = 0.0032680 k( 249) = ( 0.5000000 -0.0000000 0.0090909), wk = 0.0032680 k( 250) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032680 k( 251) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032680 k( 252) = ( 0.3333333 0.3333333 0.0090909), wk = 0.0032680 k( 253) = ( 0.3333333 0.3333333 0.0181818), wk = 0.0032680 k( 254) = ( 0.3333333 0.3333333 0.0272727), wk = 0.0032680 k( 255) = ( 0.3333333 0.3333333 0.0363636), wk = 0.0032680 k( 256) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0032680 k( 257) = ( 0.3333333 0.3333333 0.0545455), wk = 0.0032680 k( 258) = ( 0.3333333 0.3333333 0.0636364), wk = 0.0032680 k( 259) = ( 0.3333333 0.3333333 0.0727273), wk = 0.0032680 k( 260) = ( 0.3333333 0.3333333 0.0818182), wk = 0.0032680 k( 261) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0032680 k( 262) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0032680 k( 263) = ( 0.3333333 0.3333333 0.1090909), wk = 0.0032680 k( 264) = ( 0.3333333 0.3333333 0.1181818), wk = 0.0032680 k( 265) = ( 0.3333333 0.3333333 0.1272727), wk = 0.0032680 k( 266) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0032680 k( 267) = ( 0.3333333 0.3333333 0.1454545), wk = 0.0032680 k( 268) = ( 0.3333333 0.3333333 0.1545455), wk = 0.0032680 k( 269) = ( 0.3333333 0.3333333 0.1636364), wk = 0.0032680 k( 270) = ( 0.3333333 0.3333333 0.1727273), wk = 0.0032680 k( 271) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0032680 k( 272) = ( 0.3333333 0.3333333 0.1909091), wk = 0.0032680 k( 273) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0032680 k( 274) = ( 0.3333333 0.3333333 0.2090909), wk = 0.0032680 k( 275) = ( 0.3333333 0.3333333 0.2181818), wk = 0.0032680 k( 276) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0032680 k( 277) = ( 0.3333333 0.3333333 0.2363636), wk = 0.0032680 k( 278) = ( 0.3333333 0.3333333 0.2454545), wk = 0.0032680 k( 279) = ( 0.3333333 0.3333333 0.2545455), wk = 0.0032680 k( 280) = ( 0.3333333 0.3333333 0.2636364), wk = 0.0032680 k( 281) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0032680 k( 282) = ( 0.3333333 0.3333333 0.2818182), wk = 0.0032680 k( 283) = ( 0.3333333 0.3333333 0.2909091), wk = 0.0032680 k( 284) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0032680 k( 285) = ( 0.3333333 0.3333333 0.3090909), wk = 0.0032680 k( 286) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0032680 k( 287) = ( 0.3333333 0.3333333 0.3272727), wk = 0.0032680 k( 288) = ( 0.3333333 0.3333333 0.3363636), wk = 0.0032680 k( 289) = ( 0.3333333 0.3333333 0.3454546), wk = 0.0032680 k( 290) = ( 0.3333333 0.3333333 0.3545454), wk = 0.0032680 k( 291) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0032680 k( 292) = ( 0.3333333 0.3333333 0.3727273), wk = 0.0032680 k( 293) = ( 0.3333333 0.3333333 0.3818182), wk = 0.0032680 k( 294) = ( 0.3333333 0.3333333 0.3909091), wk = 0.0032680 k( 295) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0032680 k( 296) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0032680 k( 297) = ( 0.3333333 0.3333333 0.4181818), wk = 0.0032680 k( 298) = ( 0.3333333 0.3333333 0.4272727), wk = 0.0032680 k( 299) = ( 0.3333333 0.3333333 0.4363636), wk = 0.0032680 k( 300) = ( 0.3333333 0.3333333 0.4454546), wk = 0.0032680 k( 301) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0032680 k( 302) = ( 0.3333333 0.3333333 0.4636364), wk = 0.0032680 k( 303) = ( 0.3333333 0.3333333 0.4727273), wk = 0.0032680 k( 304) = ( 0.3333333 0.3333333 0.4818182), wk = 0.0032680 k( 305) = ( 0.3333333 0.3333333 0.4909091), wk = 0.0032680 k( 306) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 Dense grid: 95149 G-vectors FFT dimensions: ( 81, 81, 32) Smooth grid: 38609 G-vectors FFT dimensions: ( 64, 64, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 276, 76) NL pseudopotentials 0.67 Mb ( 138, 316) Each V/rho on FFT grid 0.10 Mb ( 6561) Each G-vector array 0.02 Mb ( 2644) G-vector shells 0.01 Mb ( 1210) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 276, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.73 Mb ( 316, 2, 76) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si3N4.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.7 secs Computing kpt #: 8 total cpu time spent up to now is 9.7 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.7 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt #: 12 total cpu time spent up to now is 13.7 secs Computing kpt #: 13 total cpu time spent up to now is 14.7 secs Computing kpt #: 14 total cpu time spent up to now is 15.7 secs Computing kpt #: 15 total cpu time spent up to now is 16.7 secs Computing kpt #: 16 total cpu time spent up to now is 17.7 secs Computing kpt #: 17 total cpu time spent up to now is 18.7 secs Computing kpt #: 18 total cpu time spent up to now is 19.7 secs Computing kpt #: 19 total cpu time spent up to now is 20.7 secs Computing kpt #: 20 total cpu time spent up to now is 21.7 secs Computing kpt #: 21 total cpu time spent up to now is 22.7 secs Computing kpt #: 22 total cpu time spent up to now is 23.7 secs Computing kpt #: 23 total cpu time spent up to now is 24.7 secs Computing kpt #: 24 total cpu time spent up to now is 25.6 secs Computing kpt #: 25 total cpu time spent up to now is 26.6 secs Computing kpt #: 26 total cpu time spent up to now is 27.6 secs Computing kpt #: 27 total cpu time spent up to now is 29.2 secs Computing kpt #: 28 total cpu time spent up to now is 30.1 secs Computing kpt #: 29 total cpu time spent up to now is 31.1 secs Computing kpt #: 30 total cpu time spent up to now is 32.1 secs Computing kpt #: 31 total cpu time spent up to now is 33.1 secs Computing kpt #: 32 total cpu time spent up to now is 34.2 secs Computing kpt #: 33 total cpu time spent up to now is 35.2 secs Computing kpt #: 34 total cpu time spent up to now is 36.1 secs Computing kpt #: 35 total cpu time spent up to now is 37.1 secs Computing kpt #: 36 total cpu time spent up to now is 38.2 secs Computing kpt #: 37 total cpu time spent up to now is 39.1 secs Computing kpt #: 38 total cpu time spent up to now is 40.1 secs Computing kpt #: 39 total cpu time spent up to now is 41.1 secs Computing kpt #: 40 total cpu time spent up to now is 42.1 secs Computing kpt #: 41 total cpu time spent up to now is 43.1 secs Computing kpt #: 42 total cpu time spent up to now is 44.1 secs Computing kpt #: 43 total cpu time spent up to now is 45.1 secs Computing kpt #: 44 total cpu time spent up to now is 46.1 secs Computing kpt #: 45 total cpu time spent up to now is 47.1 secs Computing kpt #: 46 total cpu time spent up to now is 48.1 secs Computing kpt #: 47 total cpu time spent up to now is 49.1 secs Computing kpt #: 48 total cpu time spent up to now is 50.1 secs Computing kpt #: 49 total cpu time spent up to now is 51.1 secs Computing kpt #: 50 total cpu time spent up to now is 52.1 secs Computing kpt #: 51 total cpu time spent up to now is 53.1 secs Computing kpt #: 52 total cpu time spent up to now is 54.1 secs Computing kpt #: 53 total cpu time spent up to now is 55.1 secs Computing kpt #: 54 total cpu time spent up to now is 56.1 secs Computing kpt #: 55 total cpu time spent up to now is 57.1 secs Computing kpt #: 56 total cpu time spent up to now is 58.1 secs Computing kpt #: 57 total cpu time spent up to now is 59.1 secs Computing kpt #: 58 total cpu time spent up to now is 60.1 secs Computing kpt #: 59 total cpu time spent up to now is 61.1 secs Computing kpt #: 60 total cpu time spent up to now is 62.1 secs Computing kpt #: 61 total cpu time spent up to now is 63.1 secs Computing kpt #: 62 total cpu time spent up to now is 64.2 secs Computing kpt #: 63 total cpu time spent up to now is 65.2 secs Computing kpt #: 64 total cpu time spent up to now is 66.2 secs Computing kpt #: 65 total cpu time spent up to now is 67.1 secs Computing kpt #: 66 total cpu time spent up to now is 68.1 secs Computing kpt #: 67 total cpu time spent up to now is 69.1 secs Computing kpt #: 68 total cpu time spent up to now is 70.1 secs Computing kpt #: 69 total cpu time spent up to now is 71.1 secs Computing kpt #: 70 total cpu time spent up to now is 72.0 secs Computing kpt #: 71 total cpu time spent up to now is 72.9 secs Computing kpt #: 72 total cpu time spent up to now is 73.9 secs Computing kpt #: 73 total cpu time spent up to now is 74.9 secs Computing kpt #: 74 total cpu time spent up to now is 75.9 secs Computing kpt #: 75 total cpu time spent up to now is 76.9 secs Computing kpt #: 76 total cpu time spent up to now is 77.9 secs Computing kpt #: 77 total cpu time spent up to now is 78.9 secs Computing kpt #: 78 total cpu time spent up to now is 80.0 secs Computing kpt #: 79 total cpu time spent up to now is 81.0 secs Computing kpt #: 80 total cpu time spent up to now is 82.0 secs Computing kpt #: 81 total cpu time spent up to now is 83.0 secs Computing kpt #: 82 total cpu time spent up to now is 84.1 secs Computing kpt #: 83 total cpu time spent up to now is 85.2 secs Computing kpt #: 84 total cpu time spent up to now is 86.2 secs Computing kpt #: 85 total cpu time spent up to now is 87.3 secs Computing kpt #: 86 total cpu time spent up to now is 88.4 secs Computing kpt #: 87 total cpu time spent up to now is 89.4 secs Computing kpt #: 88 total cpu time spent up to now is 90.4 secs Computing kpt #: 89 total cpu time spent up to now is 91.4 secs Computing kpt #: 90 total cpu time spent up to now is 92.4 secs Computing kpt #: 91 total cpu time spent up to now is 93.4 secs Computing kpt #: 92 total cpu time spent up to now is 94.4 secs Computing kpt #: 93 total cpu time spent up to now is 95.3 secs Computing kpt #: 94 total cpu time spent up to now is 96.2 secs Computing kpt #: 95 total cpu time spent up to now is 97.1 secs Computing kpt #: 96 total cpu time spent up to now is 98.1 secs Computing kpt #: 97 total cpu time spent up to now is 99.0 secs Computing kpt #: 98 total cpu time spent up to now is 99.9 secs Computing kpt #: 99 total cpu time spent up to now is 100.8 secs Computing kpt #: 100 total cpu time spent up to now is 101.7 secs Computing kpt #: 101 total cpu time spent up to now is 102.6 secs Computing kpt #: 102 total cpu time spent up to now is 103.5 secs Computing kpt #: 103 total cpu time spent up to now is 104.5 secs Computing kpt #: 104 total cpu time spent up to now is 105.4 secs Computing kpt #: 105 total cpu time spent up to now is 106.3 secs Computing kpt #: 106 total cpu time spent up to now is 107.3 secs Computing kpt #: 107 total cpu time spent up to now is 108.2 secs Computing kpt #: 108 total cpu time spent up to now is 109.1 secs Computing kpt #: 109 total cpu time spent up to now is 110.1 secs Computing kpt #: 110 total cpu time spent up to now is 111.2 secs Computing kpt #: 111 total cpu time spent up to now is 112.2 secs Computing kpt #: 112 total cpu time spent up to now is 113.3 secs Computing kpt #: 113 total cpu time spent up to now is 114.4 secs Computing kpt #: 114 total cpu time spent up to now is 115.4 secs Computing kpt #: 115 total cpu time spent up to now is 116.6 secs Computing kpt #: 116 total cpu time spent up to now is 118.7 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.5 secs Computing kpt #: 118 total cpu time spent up to now is 124.0 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 126.7 secs Computing kpt #: 120 total cpu time spent up to now is 128.4 secs Computing kpt #: 121 total cpu time spent up to now is 129.5 secs Computing kpt #: 122 total cpu time spent up to now is 130.5 secs Computing kpt #: 123 total cpu time spent up to now is 131.6 secs Computing kpt #: 124 total cpu time spent up to now is 132.6 secs Computing kpt #: 125 total cpu time spent up to now is 133.7 secs Computing kpt #: 126 total cpu time spent up to now is 134.8 secs Computing kpt #: 127 total cpu time spent up to now is 135.8 secs Computing kpt #: 128 total cpu time spent up to now is 136.9 secs Computing kpt #: 129 total cpu time spent up to now is 137.9 secs Computing kpt #: 130 total cpu time spent up to now is 139.0 secs Computing kpt #: 131 total cpu time spent up to now is 140.1 secs Computing kpt #: 132 total cpu time spent up to now is 141.3 secs Computing kpt #: 133 total cpu time spent up to now is 142.4 secs Computing kpt #: 134 total cpu time spent up to now is 143.5 secs Computing kpt #: 135 total cpu time spent up to now is 144.7 secs Computing kpt #: 136 total cpu time spent up to now is 145.8 secs Computing kpt #: 137 total cpu time spent up to now is 146.9 secs Computing kpt #: 138 total cpu time spent up to now is 148.0 secs Computing kpt #: 139 total cpu time spent up to now is 149.1 secs Computing kpt #: 140 total cpu time spent up to now is 150.3 secs Computing kpt #: 141 total cpu time spent up to now is 151.4 secs Computing kpt #: 142 total cpu time spent up to now is 152.5 secs Computing kpt #: 143 total cpu time spent up to now is 153.6 secs Computing kpt #: 144 total cpu time spent up to now is 154.7 secs Computing kpt #: 145 total cpu time spent up to now is 155.8 secs Computing kpt #: 146 total cpu time spent up to now is 156.9 secs Computing kpt #: 147 total cpu time spent up to now is 158.0 secs Computing kpt #: 148 total cpu time spent up to now is 159.1 secs Computing kpt #: 149 total cpu time spent up to now is 160.3 secs Computing kpt #: 150 total cpu time spent up to now is 161.3 secs Computing kpt #: 151 total cpu time spent up to now is 162.5 secs Computing kpt #: 152 total cpu time spent up to now is 163.5 secs Computing kpt #: 153 total cpu time spent up to now is 164.7 secs Computing kpt #: 154 total cpu time spent up to now is 165.7 secs Computing kpt #: 155 total cpu time spent up to now is 166.9 secs Computing kpt #: 156 total cpu time spent up to now is 167.9 secs Computing kpt #: 157 total cpu time spent up to now is 169.1 secs Computing kpt #: 158 total cpu time spent up to now is 170.2 secs Computing kpt #: 159 total cpu time spent up to now is 171.3 secs Computing kpt #: 160 total cpu time spent up to now is 172.3 secs Computing kpt #: 161 total cpu time spent up to now is 173.4 secs Computing kpt #: 162 total cpu time spent up to now is 174.5 secs Computing kpt #: 163 total cpu time spent up to now is 175.5 secs Computing kpt #: 164 total cpu time spent up to now is 176.6 secs Computing kpt #: 165 total cpu time spent up to now is 177.7 secs Computing kpt #: 166 total cpu time spent up to now is 178.8 secs Computing kpt #: 167 total cpu time spent up to now is 179.9 secs Computing kpt #: 168 total cpu time spent up to now is 180.9 secs Computing kpt #: 169 total cpu time spent up to now is 182.0 secs Computing kpt #: 170 total cpu time spent up to now is 183.1 secs Computing kpt #: 171 total cpu time spent up to now is 184.2 secs Computing kpt #: 172 total cpu time spent up to now is 185.2 secs Computing kpt #: 173 total cpu time spent up to now is 186.3 secs Computing kpt #: 174 total cpu time spent up to now is 187.4 secs Computing kpt #: 175 total cpu time spent up to now is 188.6 secs Computing kpt #: 176 total cpu time spent up to now is 190.0 secs Computing kpt #: 177 total cpu time spent up to now is 191.1 secs Computing kpt #: 178 total cpu time spent up to now is 192.2 secs Computing kpt #: 179 total cpu time spent up to now is 193.3 secs Computing kpt #: 180 total cpu time spent up to now is 194.4 secs Computing kpt #: 181 total cpu time spent up to now is 195.5 secs Computing kpt #: 182 total cpu time spent up to now is 196.6 secs Computing kpt #: 183 total cpu time spent up to now is 197.7 secs Computing kpt #: 184 total cpu time spent up to now is 198.9 secs Computing kpt #: 185 total cpu time spent up to now is 200.0 secs Computing kpt #: 186 total cpu time spent up to now is 201.1 secs Computing kpt #: 187 total cpu time spent up to now is 202.2 secs Computing kpt #: 188 total cpu time spent up to now is 203.3 secs Computing kpt #: 189 total cpu time spent up to now is 204.5 secs Computing kpt #: 190 total cpu time spent up to now is 205.6 secs Computing kpt #: 191 total cpu time spent up to now is 206.7 secs Computing kpt #: 192 total cpu time spent up to now is 207.8 secs Computing kpt #: 193 total cpu time spent up to now is 208.9 secs Computing kpt #: 194 total cpu time spent up to now is 209.9 secs Computing kpt #: 195 total cpu time spent up to now is 211.0 secs Computing kpt #: 196 total cpu time spent up to now is 212.1 secs Computing kpt #: 197 total cpu time spent up to now is 213.2 secs Computing kpt #: 198 total cpu time spent up to now is 214.3 secs Computing kpt #: 199 total cpu time spent up to now is 215.4 secs Computing kpt #: 200 total cpu time spent up to now is 216.5 secs Computing kpt #: 201 total cpu time spent up to now is 217.6 secs Computing kpt #: 202 total cpu time spent up to now is 218.7 secs Computing kpt #: 203 total cpu time spent up to now is 219.8 secs Computing kpt #: 204 total cpu time spent up to now is 220.8 secs Computing kpt #: 205 total cpu time spent up to now is 221.9 secs Computing kpt #: 206 total cpu time spent up to now is 222.8 secs Computing kpt #: 207 total cpu time spent up to now is 223.8 secs Computing kpt #: 208 total cpu time spent up to now is 224.8 secs Computing kpt #: 209 total cpu time spent up to now is 225.7 secs Computing kpt #: 210 total cpu time spent up to now is 226.7 secs Computing kpt #: 211 total cpu time spent up to now is 227.7 secs Computing kpt #: 212 total cpu time spent up to now is 228.7 secs Computing kpt #: 213 total cpu time spent up to now is 229.7 secs Computing kpt #: 214 total cpu time spent up to now is 230.6 secs Computing kpt #: 215 total cpu time spent up to now is 231.5 secs Computing kpt #: 216 total cpu time spent up to now is 232.5 secs Computing kpt #: 217 total cpu time spent up to now is 233.4 secs Computing kpt #: 218 total cpu time spent up to now is 234.3 secs Computing kpt #: 219 total cpu time spent up to now is 235.2 secs Computing kpt #: 220 total cpu time spent up to now is 236.1 secs Computing kpt #: 221 total cpu time spent up to now is 236.9 secs Computing kpt #: 222 total cpu time spent up to now is 237.8 secs Computing kpt #: 223 total cpu time spent up to now is 238.7 secs Computing kpt #: 224 total cpu time spent up to now is 239.6 secs Computing kpt #: 225 total cpu time spent up to now is 240.5 secs Computing kpt #: 226 total cpu time spent up to now is 241.5 secs Computing kpt #: 227 total cpu time spent up to now is 242.4 secs Computing kpt #: 228 total cpu time spent up to now is 243.4 secs Computing kpt #: 229 total cpu time spent up to now is 244.4 secs Computing kpt #: 230 total cpu time spent up to now is 245.4 secs Computing kpt #: 231 total cpu time spent up to now is 246.4 secs Computing kpt #: 232 total cpu time spent up to now is 247.5 secs Computing kpt #: 233 total cpu time spent up to now is 248.5 secs Computing kpt #: 234 total cpu time spent up to now is 249.5 secs Computing kpt #: 235 total cpu time spent up to now is 250.6 secs Computing kpt #: 236 total cpu time spent up to now is 251.6 secs Computing kpt #: 237 total cpu time spent up to now is 252.7 secs Computing kpt #: 238 total cpu time spent up to now is 253.7 secs Computing kpt #: 239 total cpu time spent up to now is 254.7 secs Computing kpt #: 240 total cpu time spent up to now is 255.7 secs Computing kpt #: 241 total cpu time spent up to now is 256.7 secs Computing kpt #: 242 total cpu time spent up to now is 257.7 secs Computing kpt #: 243 total cpu time spent up to now is 258.6 secs Computing kpt #: 244 total cpu time spent up to now is 259.6 secs Computing kpt #: 245 total cpu time spent up to now is 260.6 secs Computing kpt #: 246 total cpu time spent up to now is 261.6 secs Computing kpt #: 247 total cpu time spent up to now is 262.6 secs Computing kpt #: 248 total cpu time spent up to now is 263.6 secs Computing kpt #: 249 total cpu time spent up to now is 264.5 secs Computing kpt #: 250 total cpu time spent up to now is 265.5 secs Computing kpt #: 251 total cpu time spent up to now is 266.5 secs Computing kpt #: 252 total cpu time spent up to now is 267.6 secs Computing kpt #: 253 total cpu time spent up to now is 268.6 secs Computing kpt #: 254 total cpu time spent up to now is 269.6 secs Computing kpt #: 255 total cpu time spent up to now is 270.6 secs Computing kpt #: 256 total cpu time spent up to now is 271.6 secs Computing kpt #: 257 total cpu time spent up to now is 272.7 secs Computing kpt #: 258 total cpu time spent up to now is 273.7 secs Computing kpt #: 259 total cpu time spent up to now is 274.8 secs Computing kpt #: 260 total cpu time spent up to now is 275.8 secs Computing kpt #: 261 total cpu time spent up to now is 276.9 secs Computing kpt #: 262 total cpu time spent up to now is 277.9 secs Computing kpt #: 263 total cpu time spent up to now is 278.9 secs Computing kpt #: 264 total cpu time spent up to now is 280.1 secs Computing kpt #: 265 total cpu time spent up to now is 281.1 secs Computing kpt #: 266 total cpu time spent up to now is 282.1 secs Computing kpt #: 267 total cpu time spent up to now is 283.2 secs Computing kpt #: 268 total cpu time spent up to now is 284.2 secs Computing kpt #: 269 total cpu time spent up to now is 285.2 secs Computing kpt #: 270 total cpu time spent up to now is 286.2 secs Computing kpt #: 271 total cpu time spent up to now is 287.2 secs Computing kpt #: 272 total cpu time spent up to now is 288.2 secs Computing kpt #: 273 total cpu time spent up to now is 289.1 secs Computing kpt #: 274 total cpu time spent up to now is 290.1 secs Computing kpt #: 275 total cpu time spent up to now is 291.0 secs Computing kpt #: 276 total cpu time spent up to now is 291.9 secs Computing kpt #: 277 total cpu time spent up to now is 292.8 secs Computing kpt #: 278 total cpu time spent up to now is 293.7 secs Computing kpt #: 279 total cpu time spent up to now is 294.6 secs Computing kpt #: 280 total cpu time spent up to now is 295.5 secs Computing kpt #: 281 total cpu time spent up to now is 296.3 secs Computing kpt #: 282 total cpu time spent up to now is 297.3 secs Computing kpt #: 283 total cpu time spent up to now is 298.1 secs Computing kpt #: 284 total cpu time spent up to now is 299.1 secs Computing kpt #: 285 total cpu time spent up to now is 300.0 secs Computing kpt #: 286 total cpu time spent up to now is 300.9 secs Computing kpt #: 287 total cpu time spent up to now is 301.9 secs Computing kpt #: 288 total cpu time spent up to now is 302.8 secs Computing kpt #: 289 total cpu time spent up to now is 303.8 secs Computing kpt #: 290 total cpu time spent up to now is 304.7 secs Computing kpt #: 291 total cpu time spent up to now is 305.7 secs Computing kpt #: 292 total cpu time spent up to now is 306.6 secs Computing kpt #: 293 total cpu time spent up to now is 307.6 secs Computing kpt #: 294 total cpu time spent up to now is 308.6 secs Computing kpt #: 295 total cpu time spent up to now is 309.6 secs Computing kpt #: 296 total cpu time spent up to now is 310.6 secs Computing kpt #: 297 total cpu time spent up to now is 311.5 secs Computing kpt #: 298 total cpu time spent up to now is 312.5 secs Computing kpt #: 299 total cpu time spent up to now is 313.5 secs Computing kpt #: 300 total cpu time spent up to now is 314.6 secs Computing kpt #: 301 total cpu time spent up to now is 315.7 secs Computing kpt #: 302 total cpu time spent up to now is 316.8 secs Computing kpt #: 303 total cpu time spent up to now is 317.8 secs Computing kpt #: 304 total cpu time spent up to now is 318.9 secs Computing kpt #: 305 total cpu time spent up to now is 320.0 secs Computing kpt #: 306 total cpu time spent up to now is 321.1 secs ethr = 1.56E-08, avg # of iterations = 21.0 total cpu time spent up to now is 321.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4799 PWs) bands (ev): -9.6558 -9.6558 -8.3788 -8.3788 -8.3769 -8.3769 -7.5947 -7.5947 -7.5927 -7.5927 -6.9177 -6.9177 -5.4109 -5.4109 -4.9509 -4.9509 0.5063 0.5063 0.5081 0.5081 0.6485 0.6485 1.7667 1.7667 1.7718 1.7718 3.5692 3.5692 3.5983 3.5983 3.5989 3.5989 3.8415 3.8415 4.5391 4.5391 4.5391 4.5391 4.9704 4.9704 4.9749 4.9749 4.9830 4.9830 5.2112 5.2112 5.2121 5.2121 5.7250 5.7250 7.8568 7.8568 8.0211 8.0211 8.0249 8.0249 8.0333 8.0333 8.1387 8.1387 8.6184 8.6184 8.6190 8.6190 10.5329 10.5329 10.7392 10.7392 13.2721 13.2721 13.2760 13.2760 13.5405 13.5405 13.5408 13.5408 k = 0.0208 0.0120-0.0000 ( 4793 PWs) bands (ev): -9.6549 -9.6549 -8.3805 -8.3805 -8.3783 -8.3783 -7.5961 -7.5961 -7.5916 -7.5916 -6.9144 -6.9144 -5.4106 -5.4106 -4.9508 -4.9508 0.4719 0.4724 0.5042 0.5042 0.6777 0.6781 1.7705 1.7705 1.7757 1.7757 3.5718 3.5719 3.5976 3.5977 3.5992 3.5995 3.8421 3.8424 4.5378 4.5380 4.5384 4.5386 4.9463 4.9522 4.9755 4.9761 5.0009 5.0086 5.2117 5.2130 5.2142 5.2157 5.7251 5.7253 7.8571 7.8573 8.0174 8.0176 8.0224 8.0228 8.0309 8.0309 8.1372 8.1377 8.6148 8.6149 8.6180 8.6180 10.5345 10.5346 10.7420 10.7421 13.2712 13.2713 13.2751 13.2751 13.5381 13.5382 13.5421 13.5422 k = 0.0417 0.0241-0.0000 ( 4785 PWs) bands (ev): -9.6521 -9.6521 -8.3865 -8.3864 -8.3815 -8.3815 -7.6023 -7.6023 -7.5864 -7.5864 -6.9046 -6.9045 -5.4097 -5.4097 -4.9507 -4.9507 0.4020 0.4026 0.4954 0.4954 0.7305 0.7310 1.7812 1.7812 1.7878 1.7879 3.5780 3.5781 3.5964 3.5966 3.6012 3.6017 3.8443 3.8448 4.5341 4.5345 4.5365 4.5369 4.9197 4.9245 4.9814 4.9826 5.0254 5.0345 5.2143 5.2166 5.2222 5.2258 5.7257 5.7260 7.8582 7.8585 8.0038 8.0042 8.0130 8.0137 8.0285 8.0287 8.1334 8.1344 8.6035 8.6038 8.6158 8.6158 10.5395 10.5397 10.7503 10.7504 13.2684 13.2685 13.2726 13.2727 13.5314 13.5316 13.5462 13.5465 k = 0.0625 0.0361-0.0000 ( 4797 PWs) bands (ev): -9.6475 -9.6475 -8.3968 -8.3968 -8.3862 -8.3862 -7.6123 -7.6122 -7.5777 -7.5776 -6.8890 -6.8889 -5.4082 -5.4081 -4.9505 -4.9504 0.3217 0.3223 0.4812 0.4812 0.7824 0.7829 1.7982 1.7983 1.8084 1.8086 3.5786 3.5787 3.6008 3.6013 3.6081 3.6085 3.8479 3.8486 4.5281 4.5287 4.5335 4.5341 4.8935 4.8974 4.9910 4.9930 5.0475 5.0574 5.2191 5.2223 5.2373 5.2425 5.7267 5.7273 7.8599 7.8604 7.9788 7.9795 7.9953 7.9963 8.0284 8.0287 8.1285 8.1298 8.5847 8.5852 8.6119 8.6120 10.5477 10.5479 10.7639 10.7641 13.2635 13.2636 13.2682 13.2685 13.5220 13.5223 13.5529 13.5532 k = 0.0833 0.0481-0.0000 ( 4799 PWs) bands (ev): -9.6410 -9.6410 -8.4113 -8.4113 -8.3925 -8.3925 -7.6249 -7.6249 -7.5657 -7.5656 -6.8687 -6.8686 -5.4059 -5.4058 -4.9502 -4.9502 0.2368 0.2374 0.4624 0.4624 0.8274 0.8280 1.8216 1.8217 1.8370 1.8372 3.5711 3.5712 3.6051 3.6061 3.6276 3.6279 3.8530 3.8539 4.5200 4.5208 4.5296 4.5304 4.8682 4.8712 5.0038 5.0064 5.0660 5.0762 5.2267 5.2307 5.2600 5.2661 5.7283 5.7291 7.8621 7.8630 7.9439 7.9450 7.9698 7.9708 8.0291 8.0296 8.1234 8.1250 8.5589 8.5595 8.6061 8.6063 10.5590 10.5592 10.7823 10.7825 13.2568 13.2569 13.2617 13.2621 13.5122 13.5126 13.5615 13.5619 k = 0.1042 0.0601-0.0000 ( 4803 PWs) bands (ev): -9.6327 -9.6327 -8.4298 -8.4297 -8.4002 -8.4001 -7.6394 -7.6393 -7.5507 -7.5506 -6.8449 -6.8448 -5.4027 -5.4026 -4.9500 -4.9499 0.1497 0.1502 0.4398 0.4398 0.8637 0.8642 1.8510 1.8511 1.8730 1.8733 3.5602 3.5603 3.6089 3.6101 3.6557 3.6559 3.8594 3.8606 4.5099 4.5109 4.5248 4.5258 4.8439 4.8463 5.0192 5.0224 5.0808 5.0906 5.2375 5.2421 5.2899 5.2963 5.7307 5.7316 7.8636 7.8659 7.9004 7.9028 7.9363 7.9373 8.0303 8.0310 8.1188 8.1205 8.5264 8.5271 8.5983 8.5985 10.5729 10.5732 10.8049 10.8051 13.2483 13.2484 13.2524 13.2529 13.5042 13.5045 13.5716 13.5721 k = 0.1250 0.0722-0.0000 ( 4804 PWs) bands (ev): -9.6226 -9.6226 -8.4521 -8.4520 -8.4090 -8.4089 -7.6547 -7.6547 -7.5330 -7.5329 -6.8188 -6.8187 -5.3984 -5.3983 -4.9498 -4.9497 0.0616 0.0621 0.4142 0.4143 0.8907 0.8911 1.8853 1.8855 1.9159 1.9163 3.5472 3.5474 3.6125 3.6139 3.6900 3.6903 3.8672 3.8685 4.4980 4.4991 4.5195 4.5205 4.8208 4.8227 5.0361 5.0399 5.0924 5.1013 5.2522 5.2572 5.3259 5.3321 5.7339 5.7351 7.8432 7.8459 7.8722 7.8754 7.8950 7.8960 8.0318 8.0327 8.1148 8.1167 8.4876 8.4885 8.5883 8.5885 10.5894 10.5897 10.8311 10.8313 13.2375 13.2381 13.2409 13.2410 13.4993 13.4997 13.5823 13.5829 k = 0.1458 0.0842-0.0000 ( 4806 PWs) bands (ev): -9.6107 -9.6106 -8.4779 -8.4778 -8.4187 -8.4186 -7.6703 -7.6702 -7.5130 -7.5129 -6.7915 -6.7913 -5.3930 -5.3928 -4.9498 -4.9497 -0.0265 -0.0260 0.3866 0.3867 0.9086 0.9091 1.9233 1.9234 1.9656 1.9660 3.5330 3.5332 3.6156 3.6170 3.7300 3.7304 3.8762 3.8777 4.4846 4.4857 4.5136 4.5148 4.7990 4.8004 5.0533 5.0578 5.1021 5.1099 5.2713 5.2764 5.3662 5.3720 5.7385 5.7400 7.7873 7.7881 7.8464 7.8472 7.8764 7.8773 8.0337 8.0348 8.1111 8.1132 8.4432 8.4443 8.5760 8.5762 10.6079 10.6083 10.8601 10.8604 13.2222 13.2232 13.2293 13.2295 13.4985 13.4989 13.5931 13.5938 k = 0.1667 0.0962-0.0000 ( 4798 PWs) bands (ev): -9.5969 -9.5968 -8.5070 -8.5069 -8.4290 -8.4290 -7.6855 -7.6854 -7.4909 -7.4908 -6.7639 -6.7637 -5.3861 -5.3859 -4.9500 -4.9499 -0.1138 -0.1133 0.3577 0.3578 0.9185 0.9189 1.9631 1.9633 2.0214 2.0219 3.5181 3.5183 3.6176 3.6191 3.7748 3.7754 3.8865 3.8883 4.4699 4.4710 4.5073 4.5087 4.7784 4.7794 5.0693 5.0743 5.1114 5.1180 5.2953 5.3002 5.4090 5.4144 5.7452 5.7469 7.7233 7.7235 7.7914 7.7922 7.8814 7.8820 8.0359 8.0372 8.1077 8.1100 8.3937 8.3950 8.5614 8.5616 10.6283 10.6287 10.8912 10.8915 13.2035 13.2045 13.2178 13.2181 13.5020 13.5023 13.6033 13.6040 k = 0.1875 0.1083-0.0000 ( 4806 PWs) bands (ev): -9.5813 -9.5813 -8.5390 -8.5389 -8.4397 -8.4397 -7.7000 -7.6999 -7.4673 -7.4672 -6.7370 -6.7369 -5.3776 -5.3775 -4.9505 -4.9504 -0.1996 -0.1991 0.3282 0.3283 0.9214 0.9217 2.0036 2.0038 2.0824 2.0831 3.5029 3.5031 3.6179 3.6194 3.8230 3.8241 3.8990 3.9011 4.4542 4.4552 4.5007 4.5023 4.7592 4.7599 5.0820 5.0872 5.1226 5.1280 5.3244 5.3291 5.4522 5.4572 5.7548 5.7568 7.6540 7.6541 7.7305 7.7312 7.8870 7.8876 8.0384 8.0399 8.1040 8.1066 8.3399 8.3417 8.5446 8.5449 10.6500 10.6505 10.9236 10.9240 13.1825 13.1836 13.2059 13.2062 13.5094 13.5096 13.6122 13.6129 k = 0.2083 0.1203-0.0000 ( 4814 PWs) bands (ev): -9.5640 -9.5640 -8.5737 -8.5736 -8.4506 -8.4506 -7.7135 -7.7134 -7.4423 -7.4422 -6.7116 -6.7114 -5.3674 -5.3672 -4.9514 -4.9513 -0.2833 -0.2829 0.2987 0.2988 0.9186 0.9189 2.0436 2.0438 2.1479 2.1486 3.4877 3.4880 3.6160 3.6174 3.8696 3.8719 3.9175 3.9207 4.4377 4.4386 4.4940 4.4957 4.7413 4.7417 5.0905 5.0953 5.1368 5.1410 5.3590 5.3634 5.4934 5.4982 5.7689 5.7712 7.5808 7.5810 7.6643 7.6649 7.8932 7.8938 8.0410 8.0427 8.0994 8.1026 8.2832 8.2855 8.5259 8.5261 10.6728 10.6733 10.9566 10.9570 13.1603 13.1614 13.1937 13.1939 13.5202 13.5204 13.6194 13.6202 k = 0.2292 0.1323-0.0000 ( 4812 PWs) bands (ev): -9.5450 -9.5449 -8.6106 -8.6104 -8.4615 -8.4615 -7.7259 -7.7258 -7.4164 -7.4162 -6.6882 -6.6880 -5.3553 -5.3552 -4.9529 -4.9528 -0.3642 -0.3638 0.2697 0.2698 0.9115 0.9117 2.0823 2.0824 2.2168 2.2175 3.4731 3.4733 3.6112 3.6125 3.9010 3.9035 3.9566 3.9599 4.4207 4.4214 4.4872 4.4891 4.7248 4.7252 5.0957 5.0998 5.1528 5.1562 5.3992 5.4032 5.5303 5.5348 5.7893 5.7917 7.5048 7.5051 7.5937 7.5942 7.8997 7.9005 8.0437 8.0456 8.0922 8.0964 8.2256 8.2288 8.5054 8.5057 10.6964 10.6969 10.9894 10.9899 13.1377 13.1387 13.1811 13.1814 13.5338 13.5340 13.6248 13.6256 k = 0.2500 0.1443-0.0000 ( 4806 PWs) bands (ev): -9.5241 -9.5241 -8.6494 -8.6492 -8.4722 -8.4722 -7.7371 -7.7371 -7.3898 -7.3897 -6.6673 -6.6671 -5.3413 -5.3412 -4.9550 -4.9549 -0.4419 -0.4416 0.2416 0.2417 0.9011 0.9013 2.1189 2.1190 2.2881 2.2889 3.4592 3.4594 3.6031 3.6042 3.9187 3.9206 4.0140 4.0166 4.4033 4.4039 4.4806 4.4827 4.7096 4.7102 5.0990 5.1023 5.1694 5.1721 5.4445 5.4482 5.5607 5.5648 5.8174 5.8199 7.4271 7.4275 7.5194 7.5198 7.9066 7.9074 8.0458 8.0481 8.0774 8.0831 8.1733 8.1777 8.4835 8.4838 10.7203 10.7209 11.0215 11.0220 13.1153 13.1163 13.1685 13.1688 13.5498 13.5498 13.6283 13.6291 k = 0.2708 0.1564-0.0000 ( 4806 PWs) bands (ev): -9.5016 -9.5015 -8.6896 -8.6895 -8.4825 -8.4825 -7.7472 -7.7471 -7.3631 -7.3630 -6.6492 -6.6491 -5.3255 -5.3253 -4.9579 -4.9578 -0.5158 -0.5155 0.2148 0.2148 0.8886 0.8888 2.1530 2.1531 2.3611 2.3620 3.4462 3.4464 3.5910 3.5920 3.9330 3.9346 4.0772 4.0796 4.3857 4.3861 4.4744 4.4767 4.6959 4.6967 5.1013 5.1040 5.1857 5.1880 5.4944 5.4978 5.5840 5.5878 5.8533 5.8556 7.3486 7.3490 7.4422 7.4427 7.9137 7.9145 8.0375 8.0383 8.0550 8.0593 8.1401 8.1445 8.4604 8.4607 10.7444 10.7449 11.0523 11.0527 13.0937 13.0946 13.1560 13.1562 13.5673 13.5673 13.6300 13.6309 k = 0.2917 0.1684-0.0000 ( 4806 PWs) bands (ev): -9.4774 -9.4774 -8.7311 -8.7309 -8.4924 -8.4923 -7.7561 -7.7560 -7.3364 -7.3363 -6.6341 -6.6339 -5.3078 -5.3076 -4.9617 -4.9616 -0.5854 -0.5851 0.1895 0.1896 0.8748 0.8750 2.1841 2.1842 2.4352 2.4362 3.4343 3.4346 3.5747 3.5755 3.9467 3.9481 4.1425 4.1450 4.3681 4.3683 4.4689 4.4713 4.6837 4.6847 5.1032 5.1054 5.2014 5.2034 5.5464 5.5499 5.6030 5.6064 5.8953 5.8973 7.2701 7.2706 7.3636 7.3640 7.9208 7.9217 7.9849 7.9868 8.0544 8.0569 8.1278 8.1309 8.4365 8.4368 10.7682 10.7687 11.0811 11.0816 13.0733 13.0742 13.1437 13.1439 13.5854 13.5856 13.6305 13.6316 k = 0.3125 0.1804-0.0000 ( 4806 PWs) bands (ev): -9.4516 -9.4515 -8.7733 -8.7732 -8.5016 -8.5015 -7.7639 -7.7638 -7.3103 -7.3102 -6.6220 -6.6218 -5.2885 -5.2884 -4.9665 -4.9664 -0.6502 -0.6499 0.1661 0.1662 0.8605 0.8606 2.2121 2.2122 2.5097 2.5107 3.4236 3.4239 3.5538 3.5545 3.9606 3.9619 4.2070 4.2100 4.3507 4.3512 4.4646 4.4671 4.6731 4.6743 5.1051 5.1068 5.2164 5.2181 5.5878 5.5907 5.6324 5.6343 5.9406 5.9424 7.1919 7.1924 7.2855 7.2858 7.9183 7.9211 7.9283 7.9308 8.0559 8.0585 8.1249 8.1271 8.4120 8.4124 10.7915 10.7920 11.1077 11.1082 13.0544 13.0552 13.1318 13.1320 13.6023 13.6027 13.6318 13.6330 k = 0.3333 0.1925-0.0000 ( 4812 PWs) bands (ev): -9.4241 -9.4241 -8.8161 -8.8160 -8.5100 -8.5100 -7.7707 -7.7707 -7.2852 -7.2851 -6.6127 -6.6126 -5.2679 -5.2678 -4.9725 -4.9724 -0.7097 -0.7094 0.1447 0.1447 0.8462 0.8463 2.2368 2.2369 2.5841 2.5851 3.4141 3.4143 3.5285 3.5291 3.9748 3.9762 4.2655 4.2699 4.3359 4.3374 4.4628 4.4655 4.6641 4.6656 5.1072 5.1085 5.2304 5.2320 5.6032 5.6051 5.6882 5.6882 5.9867 5.9882 7.1133 7.1138 7.2109 7.2113 7.8511 7.8523 7.9353 7.9366 8.0570 8.0595 8.1262 8.1278 8.3874 8.3878 10.8138 10.8143 11.1316 11.1321 13.0373 13.0381 13.1205 13.1207 13.6121 13.6124 13.6395 13.6405 k = 0.3542 0.2045-0.0000 ( 4814 PWs) bands (ev): -9.3951 -9.3950 -8.8592 -8.8591 -8.5177 -8.5177 -7.7765 -7.7765 -7.2613 -7.2612 -6.6061 -6.6060 -5.2463 -5.2461 -4.9797 -4.9795 -0.7634 -0.7632 0.1255 0.1255 0.8325 0.8325 2.2583 2.2584 2.6579 2.6590 3.4055 3.4057 3.4988 3.4993 3.9897 3.9911 4.2941 4.2988 4.3450 4.3464 4.4662 4.4691 4.6569 4.6586 5.1096 5.1107 5.2435 5.2449 5.6085 5.6100 5.7529 5.7533 6.0310 6.0322 7.0328 7.0332 7.1445 7.1448 7.7817 7.7825 7.9423 7.9435 8.0573 8.0597 8.1303 8.1316 8.3629 8.3634 10.8349 10.8353 11.1527 11.1532 13.0222 13.0229 13.1101 13.1103 13.6128 13.6128 13.6556 13.6562 k = 0.3750 0.2165-0.0000 ( 4814 PWs) bands (ev): -9.3646 -9.3645 -8.9023 -8.9022 -8.5245 -8.5244 -7.7815 -7.7815 -7.2393 -7.2392 -6.6018 -6.6017 -5.2241 -5.2239 -4.9881 -4.9879 -0.8110 -0.8108 0.1086 0.1086 0.8198 0.8199 2.2765 2.2766 2.7307 2.7317 3.3974 3.3977 3.4655 3.4660 4.0050 4.0064 4.2843 4.2871 4.3789 4.3801 4.4808 4.4840 4.6517 4.6538 5.1125 5.1134 5.2554 5.2567 5.6104 5.6118 5.8208 5.8212 6.0722 6.0732 6.9488 6.9492 7.0902 7.0906 7.7130 7.7136 7.9489 7.9502 8.0569 8.0590 8.1369 8.1378 8.3388 8.3393 10.8542 10.8547 11.1708 11.1712 13.0091 13.0097 13.1006 13.1008 13.6097 13.6099 13.6739 13.6743 k = 0.3958 0.2285-0.0000 ( 4820 PWs) bands (ev): -9.3326 -9.3325 -8.9452 -8.9451 -8.5303 -8.5303 -7.7856 -7.7856 -7.2195 -7.2194 -6.5993 -6.5992 -5.2017 -5.2016 -4.9978 -4.9976 -0.8520 -0.8518 0.0941 0.0942 0.8086 0.8086 2.2917 2.2917 2.8018 2.8029 3.3875 3.3879 3.4310 3.4316 4.0205 4.0219 4.2678 4.2699 4.3983 4.3999 4.5102 4.5133 4.6492 4.6516 5.1159 5.1168 5.2662 5.2672 5.6108 5.6119 5.8878 5.8882 6.1105 6.1114 6.8614 6.8618 7.0506 7.0509 7.6467 7.6472 7.9551 7.9563 8.0558 8.0577 8.1454 8.1461 8.3153 8.3158 10.8716 10.8720 11.1858 11.1862 12.9981 12.9987 13.0923 13.0925 13.6058 13.6059 13.6917 13.6920 k = 0.4167 0.2406-0.0000 ( 4826 PWs) bands (ev): -9.2992 -9.2991 -8.9877 -8.9876 -8.5351 -8.5351 -7.7889 -7.7888 -7.2025 -7.2024 -6.5982 -6.5982 -5.1798 -5.1797 -5.0086 -5.0084 -0.8860 -0.8859 0.0822 0.0822 0.7990 0.7990 2.3038 2.3039 2.8707 2.8717 3.3664 3.3670 3.4055 3.4058 4.0359 4.0373 4.2506 4.2524 4.4054 4.4068 4.5441 4.5470 4.6507 4.6534 5.1198 5.1205 5.2754 5.2763 5.6103 5.6113 5.9489 5.9493 6.1496 6.1503 6.7716 6.7720 7.0259 7.0262 7.5849 7.5852 7.9606 7.9617 8.0544 8.0560 8.1558 8.1563 8.2927 8.2932 10.8865 10.8868 11.1979 11.1982 12.9893 12.9897 13.0853 13.0854 13.6018 13.6019 13.7076 13.7078 k = 0.4375 0.2526-0.0000 ( 4822 PWs) bands (ev): -9.2644 -9.2643 -9.0296 -9.0295 -8.5389 -8.5389 -7.7914 -7.7914 -7.1886 -7.1886 -6.5980 -6.5980 -5.1591 -5.1590 -5.0202 -5.0201 -0.9128 -0.9127 0.0728 0.0728 0.7913 0.7913 2.3131 2.3132 2.9363 2.9373 3.3283 3.3291 3.3954 3.3955 4.0505 4.0518 4.2345 4.2360 4.4076 4.4086 4.5708 4.5734 4.6577 4.6604 5.1238 5.1244 5.2830 5.2838 5.6096 5.6103 5.9967 5.9969 6.1966 6.1973 6.6808 6.6812 7.0143 7.0145 7.5301 7.5303 7.9654 7.9663 8.0529 8.0542 8.1677 8.1682 8.2711 8.2716 10.8986 10.8988 11.2070 11.2073 12.9825 12.9828 13.0797 13.0798 13.5982 13.5984 13.7210 13.7211 k = 0.4583 0.2646-0.0000 ( 4818 PWs) bands (ev): -9.2286 -9.2284 -9.0707 -9.0706 -8.5417 -8.5417 -7.7932 -7.7932 -7.1784 -7.1783 -6.5982 -6.5982 -5.1408 -5.1407 -5.0318 -5.0316 -0.9322 -0.9321 0.0661 0.0661 0.7857 0.7857 2.3197 2.3197 2.9967 2.9976 3.2848 3.2855 3.3912 3.3913 4.0632 4.0643 4.2207 4.2218 4.4081 4.4088 4.5864 4.5881 4.6694 4.6714 5.1274 5.1279 5.2888 5.2893 5.6089 5.6093 6.0263 6.0265 6.2575 6.2581 6.5899 6.5903 7.0122 7.0124 7.4858 7.4860 7.9691 7.9698 8.0516 8.0525 8.1812 8.1817 8.2507 8.2512 10.9075 10.9077 11.2134 11.2136 12.9777 12.9779 13.0757 13.0757 13.5955 13.5956 13.7311 13.7312 k = 0.4792 0.2766-0.0000 ( 4820 PWs) bands (ev): -9.1920 -9.1919 -9.1104 -9.1103 -8.5433 -8.5433 -7.7942 -7.7942 -7.1721 -7.1721 -6.5985 -6.5985 -5.1270 -5.1269 -5.0414 -5.0413 -0.9438 -0.9438 0.0621 0.0621 0.7823 0.7823 2.3236 2.3236 3.0462 3.0469 3.2450 3.2456 3.3891 3.3892 4.0724 4.0730 4.2112 4.2118 4.4081 4.4085 4.5934 4.5943 4.6801 4.6811 5.1301 5.1303 5.2925 5.2927 5.6084 5.6086 6.0405 6.0406 6.3313 6.3318 6.5003 6.5007 7.0144 7.0145 7.4564 7.4565 7.9715 7.9719 8.0508 8.0512 8.1961 8.1965 8.2317 8.2322 10.9130 10.9131 11.2172 11.2173 12.9749 12.9750 13.0732 13.0733 13.5938 13.5938 13.7373 13.7374 k = 0.5000 0.2887-0.0000 ( 4814 PWs) bands (ev): -9.1635 -9.1635 -9.1399 -9.1399 -8.5439 -8.5439 -7.7946 -7.7946 -7.1700 -7.1700 -6.5987 -6.5987 -5.1215 -5.1215 -5.0454 -5.0454 -0.9477 -0.9477 0.0607 0.0607 0.7812 0.7812 2.3249 2.3249 3.0687 3.0687 3.2264 3.2264 3.3885 3.3885 4.0760 4.0760 4.2079 4.2079 4.4082 4.4082 4.5956 4.5956 4.6846 4.6846 5.1311 5.1311 5.2938 5.2938 5.6082 5.6082 6.0446 6.0446 6.4131 6.4131 6.4141 6.4141 7.0159 7.0159 7.4461 7.4461 7.9725 7.9725 8.0506 8.0506 8.2089 8.2089 8.2180 8.2180 10.9149 10.9149 11.2185 11.2185 12.9740 12.9740 13.0724 13.0724 13.5932 13.5932 13.7395 13.7395 k = 0.5000 0.2887-0.0000 ( 4814 PWs) bands (ev): -9.1635 -9.1635 -9.1399 -9.1399 -8.5439 -8.5439 -7.7946 -7.7946 -7.1700 -7.1700 -6.5987 -6.5987 -5.1215 -5.1215 -5.0454 -5.0454 -0.9477 -0.9477 0.0607 0.0607 0.7812 0.7812 2.3249 2.3249 3.0687 3.0687 3.2264 3.2264 3.3885 3.3885 4.0760 4.0760 4.2079 4.2079 4.4082 4.4082 4.5956 4.5956 4.6846 4.6846 5.1311 5.1311 5.2938 5.2938 5.6082 5.6082 6.0446 6.0446 6.4131 6.4131 6.4141 6.4141 7.0159 7.0159 7.4461 7.4461 7.9725 7.9725 8.0506 8.0506 8.2089 8.2089 8.2179 8.2179 10.9149 10.9149 11.2185 11.2185 12.9740 12.9740 13.0724 13.0724 13.5932 13.5932 13.7395 13.7395 k = 0.4881 0.3093-0.0000 ( 4822 PWs) bands (ev): -9.1626 -9.1626 -9.1391 -9.1391 -8.5481 -8.5480 -7.7906 -7.7905 -7.1716 -7.1716 -6.5987 -6.5987 -5.1211 -5.1211 -5.0450 -5.0450 -0.9504 -0.9504 0.0635 0.0635 0.7784 0.7784 2.3266 2.3267 3.0547 3.0552 3.2393 3.2399 3.3927 3.3929 4.0762 4.0763 4.2084 4.2086 4.4064 4.4069 4.5944 4.5946 4.6834 4.6835 5.1314 5.1319 5.2932 5.2933 5.6082 5.6084 6.0460 6.0461 6.4056 6.4060 6.4184 6.4189 7.0205 7.0206 7.4462 7.4463 7.9726 7.9726 8.0505 8.0506 8.1914 8.1920 8.2283 8.2287 10.9165 10.9165 11.2183 11.2184 12.9751 12.9751 13.0730 13.0730 13.5883 13.5886 13.7440 13.7443 k = 0.4762 0.3299-0.0000 ( 4826 PWs) bands (ev): -9.1600 -9.1600 -9.1370 -9.1370 -8.5603 -8.5603 -7.7789 -7.7788 -7.1765 -7.1765 -6.5987 -6.5987 -5.1197 -5.1197 -5.0439 -5.0439 -0.9581 -0.9581 0.0719 0.0719 0.7701 0.7701 2.3319 2.3320 3.0247 3.0253 3.2638 3.2646 3.4093 3.4096 4.0771 4.0773 4.2101 4.2104 4.4015 4.4025 4.5909 4.5913 4.6800 4.6802 5.1326 5.1337 5.2915 5.2917 5.6083 5.6087 6.0503 6.0504 6.3938 6.3942 6.4230 6.4234 7.0339 7.0340 7.4467 7.4468 7.9728 7.9730 8.0500 8.0503 8.1648 8.1654 8.2354 8.2358 10.9213 10.9214 11.2178 11.2179 12.9784 12.9784 13.0748 13.0749 13.5753 13.5759 13.7563 13.7570 k = 0.4643 0.3505-0.0000 ( 4830 PWs) bands (ev): -9.1556 -9.1555 -9.1335 -9.1335 -8.5798 -8.5798 -7.7603 -7.7602 -7.1845 -7.1845 -6.5988 -6.5988 -5.1175 -5.1174 -5.0422 -5.0421 -0.9705 -0.9704 0.0854 0.0854 0.7564 0.7565 2.3403 2.3405 2.9919 2.9926 3.2791 3.2797 3.4457 3.4463 4.0785 4.0787 4.2131 4.2135 4.3936 4.3952 4.5852 4.5858 4.6739 4.6743 5.1350 5.1365 5.2888 5.2891 5.6085 5.6090 6.0571 6.0574 6.3779 6.3782 6.4283 6.4287 7.0546 7.0548 7.4475 7.4476 7.9730 7.9733 8.0493 8.0498 8.1334 8.1342 8.2353 8.2357 10.9292 10.9293 11.2167 11.2169 12.9837 12.9837 13.0778 13.0779 13.5571 13.5578 13.7738 13.7747 k = 0.4524 0.3712-0.0000 ( 4832 PWs) bands (ev): -9.1494 -9.1494 -9.1285 -9.1285 -8.6055 -8.6054 -7.7360 -7.7359 -7.1955 -7.1955 -6.5990 -6.5990 -5.1143 -5.1143 -5.0399 -5.0399 -0.9866 -0.9866 0.1035 0.1035 0.7379 0.7380 2.3514 2.3517 2.9621 2.9627 3.2797 3.2803 3.5012 3.5021 4.0804 4.0808 4.2173 4.2179 4.3830 4.3851 4.5775 4.5783 4.6650 4.6656 5.1385 5.1404 5.2852 5.2856 5.6088 5.6094 6.0661 6.0665 6.3594 6.3596 6.4349 6.4354 7.0806 7.0808 7.4484 7.4485 7.9729 7.9734 8.0483 8.0490 8.0992 8.1001 8.2277 8.2281 10.9400 10.9401 11.2151 11.2153 12.9905 12.9906 13.0823 13.0824 13.5357 13.5365 13.7943 13.7952 k = 0.4405 0.3918-0.0000 ( 4830 PWs) bands (ev): -9.1415 -9.1415 -9.1222 -9.1222 -8.6362 -8.6360 -7.7073 -7.7072 -7.2093 -7.2092 -6.5994 -6.5994 -5.1104 -5.1103 -5.0374 -5.0373 -1.0056 -1.0056 0.1255 0.1255 0.7149 0.7150 2.3646 2.3649 2.9378 2.9384 3.2701 3.2706 3.5687 3.5699 4.0829 4.0834 4.2228 4.2236 4.3700 4.3726 4.5678 4.5688 4.6529 4.6537 5.1431 5.1453 5.2806 5.2811 5.6091 5.6098 6.0765 6.0769 6.3401 6.3404 6.4430 6.4435 7.1095 7.1098 7.4493 7.4495 7.9716 7.9724 8.0462 8.0480 8.0650 8.0662 8.2129 8.2133 10.9534 10.9536 11.2127 11.2129 12.9983 12.9983 13.0885 13.0886 13.5124 13.5132 13.8164 13.8173 k = 0.4286 0.4124-0.0000 ( 4834 PWs) bands (ev): -9.1319 -9.1318 -9.1145 -9.1144 -8.6707 -8.6705 -7.6754 -7.6753 -7.2255 -7.2254 -6.5999 -6.5998 -5.1056 -5.1056 -5.0348 -5.0347 -1.0265 -1.0264 0.1507 0.1508 0.6879 0.6880 2.3788 2.3791 2.9202 2.9207 3.2539 3.2544 3.6430 3.6444 4.0859 4.0865 4.2297 4.2308 4.3549 4.3579 4.5563 4.5575 4.6372 4.6382 5.1489 5.1512 5.2753 5.2758 5.6094 5.6101 6.0872 6.0876 6.3225 6.3228 6.4522 6.4528 7.1388 7.1391 7.4503 7.4505 7.9668 7.9682 8.0312 8.0347 8.0466 8.0484 8.1915 8.1918 10.9690 10.9693 11.2093 11.2095 13.0060 13.0061 13.0970 13.0972 13.4879 13.4887 13.8389 13.8398 k = 0.4167 0.4330-0.0000 ( 4829 PWs) bands (ev): -9.1205 -9.1205 -9.1054 -9.1053 -8.7081 -8.7079 -7.6414 -7.6412 -7.2440 -7.2439 -6.6005 -6.6005 -5.1002 -5.1001 -5.0325 -5.0324 -1.0481 -1.0480 0.1785 0.1786 0.6576 0.6578 2.3933 2.3936 2.9100 2.9105 3.2333 3.2338 3.7208 3.7225 4.0894 4.0900 4.2382 4.2396 4.3379 4.3413 4.5432 4.5446 4.6177 4.6190 5.1557 5.1581 5.2693 5.2698 5.6096 5.6103 6.0964 6.0969 6.3093 6.3096 6.4622 6.4628 7.1658 7.1661 7.4521 7.4522 7.9543 7.9559 8.0116 8.0145 8.0449 8.0458 8.1642 8.1645 10.9866 10.9869 11.2046 11.2049 13.0127 13.0128 13.1086 13.1089 13.4624 13.4632 13.8610 13.8619 k = 0.4048 0.4536-0.0000 ( 4835 PWs) bands (ev): -9.1075 -9.1075 -9.0949 -9.0949 -8.7475 -8.7474 -7.6062 -7.6060 -7.2644 -7.2643 -6.6014 -6.6013 -5.0940 -5.0939 -5.0307 -5.0306 -1.0694 -1.0693 0.2083 0.2084 0.6247 0.6248 2.4072 2.4075 2.9075 2.9079 3.2094 3.2098 3.7998 3.8019 4.0933 4.0940 4.2484 4.2503 4.3194 4.3231 4.5287 4.5304 4.5945 4.5961 5.1635 5.1659 5.2626 5.2632 5.6097 5.6103 6.1024 6.1028 6.3031 6.3034 6.4720 6.4726 7.1873 7.1876 7.4554 7.4556 7.9343 7.9356 8.0036 8.0061 8.0428 8.0437 8.1320 8.1323 11.0056 11.0059 11.1986 11.1989 13.0175 13.0177 13.1238 13.1243 13.4362 13.4370 13.8818 13.8826 k = 0.3929 0.4743-0.0000 ( 4831 PWs) bands (ev): -9.0928 -9.0928 -9.0831 -9.0831 -8.7885 -8.7883 -7.5707 -7.5705 -7.2864 -7.2863 -6.6023 -6.6023 -5.0873 -5.0872 -5.0297 -5.0296 -1.0895 -1.0894 0.2397 0.2398 0.5897 0.5899 2.4197 2.4200 2.9127 2.9130 3.1828 3.1833 3.8780 3.8806 4.0975 4.0982 4.2607 4.2631 4.2997 4.3039 4.5130 4.5149 4.5679 4.5697 5.1721 5.1743 5.2555 5.2562 5.6097 5.6103 6.1037 6.1041 6.3062 6.3065 6.4804 6.4811 7.2007 7.2010 7.4618 7.4620 7.9143 7.9153 8.0018 8.0042 8.0403 8.0414 8.0967 8.0970 11.0257 11.0260 11.1910 11.1914 13.0203 13.0205 13.1427 13.1432 13.4094 13.4102 13.9003 13.9010 k = 0.3810 0.4949-0.0000 ( 4821 PWs) bands (ev): -9.0765 -9.0765 -9.0700 -9.0700 -8.8303 -8.8302 -7.5356 -7.5354 -7.3098 -7.3097 -6.6033 -6.6033 -5.0800 -5.0799 -5.0299 -5.0297 -1.1075 -1.1074 0.2721 0.2723 0.5535 0.5536 2.4304 2.4306 2.9250 2.9253 3.1542 3.1546 3.9529 3.9560 4.1019 4.1028 4.2715 4.2753 4.2829 4.2874 4.4956 4.4981 4.5391 4.5409 5.1811 5.1832 5.2480 5.2488 5.6096 5.6101 6.1005 6.1008 6.3188 6.3192 6.4858 6.4864 7.2048 7.2051 7.4718 7.4719 7.8995 7.9005 8.0011 8.0038 8.0366 8.0385 8.0611 8.0616 11.0463 11.0467 11.1817 11.1821 13.0214 13.0216 13.1648 13.1653 13.3821 13.3829 13.9159 13.9164 k = 0.3690 0.5155-0.0000 ( 4829 PWs) bands (ev): -9.0586 -9.0586 -9.0556 -9.0556 -8.8726 -8.8725 -7.5015 -7.5013 -7.3343 -7.3341 -6.6043 -6.6043 -5.0723 -5.0722 -5.0315 -5.0314 -1.1226 -1.1225 0.3054 0.3055 0.5165 0.5166 2.4389 2.4390 2.9437 2.9440 3.1239 3.1244 4.0214 4.0249 4.1068 4.1080 4.2538 4.2586 4.2983 4.3023 4.4755 4.4790 4.5104 4.5119 5.1904 5.1923 5.2403 5.2411 5.6094 5.6098 6.0945 6.0947 6.3396 6.3400 6.4858 6.4865 7.2011 7.2014 7.4842 7.4843 7.8922 7.8931 7.9945 7.9981 8.0257 8.0303 8.0374 8.0395 11.0671 11.0675 11.1705 11.1709 13.0212 13.0214 13.1893 13.1899 13.3544 13.3551 13.9278 13.9282 k = 0.3571 0.5361-0.0000 ( 4825 PWs) bands (ev): -9.0401 -9.0401 -9.0391 -9.0391 -8.9151 -8.9149 -7.4691 -7.4690 -7.3595 -7.3594 -6.6051 -6.6051 -5.0643 -5.0642 -5.0348 -5.0347 -1.1341 -1.1340 0.3393 0.3394 0.4795 0.4797 2.4450 2.4451 2.9679 2.9682 3.0926 3.0930 4.0775 4.0800 4.1145 4.1173 4.2298 4.2351 4.3238 4.3285 4.4502 4.4549 4.4864 4.4872 5.1996 5.2013 5.2324 5.2334 5.6093 5.6095 6.0880 6.0882 6.3666 6.3670 6.4782 6.4788 7.1935 7.1937 7.4962 7.4963 7.8932 7.8942 7.9714 7.9737 8.0196 8.0219 8.0331 8.0342 11.0876 11.0880 11.1574 11.1579 13.0205 13.0207 13.2156 13.2162 13.3263 13.3270 13.9361 13.9364 k = 0.3452 0.5567-0.0000 ( 4829 PWs) bands (ev): -9.0234 -9.0233 -9.0182 -9.0182 -8.9572 -8.9571 -7.4389 -7.4387 -7.3853 -7.3851 -6.6057 -6.6057 -5.0560 -5.0559 -5.0401 -5.0400 -1.1413 -1.1413 0.3735 0.3736 0.4432 0.4433 2.4488 2.4488 2.9963 2.9967 3.0604 3.0609 4.1023 4.1024 4.1407 4.1465 4.2036 4.2092 4.3555 4.3609 4.4199 4.4253 4.4698 4.4701 5.2085 5.2099 5.2246 5.2256 5.6091 5.6093 6.0831 6.0832 6.3978 6.3984 6.4607 6.4613 7.1864 7.1865 7.5048 7.5049 7.9023 7.9034 7.9430 7.9444 8.0214 8.0229 8.0292 8.0304 11.1072 11.1077 11.1425 11.1430 13.0198 13.0199 13.2428 13.2435 13.2983 13.2990 13.9408 13.9409 k = 0.3333 0.5774-0.0000 ( 4821 PWs) bands (ev): -9.0086 -9.0086 -8.9964 -8.9963 -8.9953 -8.9953 -7.4116 -7.4116 -7.4110 -7.4107 -6.6059 -6.6059 -5.0481 -5.0481 -5.0469 -5.0466 -1.1438 -1.1438 0.4077 0.4077 0.4081 0.4084 2.4501 2.4501 3.0266 3.0275 3.0290 3.0290 4.1056 4.1056 4.1718 4.1774 4.1774 4.1836 4.3865 4.3916 4.3916 4.3977 4.4624 4.4624 5.2161 5.2174 5.2174 5.2184 5.6091 5.6091 6.0813 6.0813 6.4303 6.4314 6.4333 6.4333 7.1836 7.1836 7.5079 7.5079 7.9168 7.9189 7.9217 7.9217 8.0246 8.0258 8.0258 8.0270 11.1247 11.1247 11.1267 11.1277 13.0195 13.0195 13.2685 13.2698 13.2724 13.2724 13.9423 13.9423 k = 0.3333 0.5774-0.0000 ( 4821 PWs) bands (ev): -9.0086 -9.0086 -8.9964 -8.9963 -8.9953 -8.9953 -7.4116 -7.4116 -7.4110 -7.4107 -6.6059 -6.6059 -5.0481 -5.0481 -5.0469 -5.0466 -1.1438 -1.1438 0.4077 0.4077 0.4081 0.4084 2.4501 2.4501 3.0266 3.0275 3.0290 3.0290 4.1056 4.1056 4.1718 4.1774 4.1774 4.1836 4.3865 4.3916 4.3916 4.3977 4.4624 4.4624 5.2161 5.2174 5.2174 5.2184 5.6091 5.6091 6.0813 6.0813 6.4303 6.4314 6.4333 6.4333 7.1836 7.1836 7.5079 7.5079 7.9168 7.9189 7.9217 7.9217 8.0246 8.0258 8.0258 8.0270 11.1247 11.1247 11.1267 11.1277 13.0195 13.0195 13.2685 13.2698 13.2724 13.2724 13.9423 13.9423 k = 0.3214 0.5567-0.0000 ( 4825 PWs) bands (ev): -9.0420 -9.0418 -8.9848 -8.9847 -8.9720 -8.9720 -7.4374 -7.4373 -7.3868 -7.3866 -6.6057 -6.6057 -5.0572 -5.0570 -5.0390 -5.0388 -1.1412 -1.1412 0.3743 0.3744 0.4425 0.4426 2.4487 2.4488 2.9950 2.9955 3.0614 3.0618 4.1027 4.1029 4.1434 4.1490 4.2011 4.2065 4.3611 4.3667 4.4086 4.4130 4.4750 4.4759 5.2090 5.2104 5.2241 5.2250 5.6091 5.6093 6.0834 6.0835 6.3913 6.3918 6.4670 6.4675 7.1868 7.1869 7.5052 7.5052 7.9030 7.9039 7.9426 7.9437 8.0210 8.0223 8.0296 8.0308 11.1071 11.1076 11.1425 11.1431 13.0199 13.0200 13.2432 13.2439 13.2978 13.2984 13.9409 13.9411 k = 0.3095 0.5361-0.0000 ( 4833 PWs) bands (ev): -9.0825 -9.0823 -8.9647 -8.9646 -8.9470 -8.9469 -7.4634 -7.4632 -7.3657 -7.3655 -6.6049 -6.6049 -5.0691 -5.0689 -5.0305 -5.0304 -1.1331 -1.1330 0.3428 0.3430 0.4770 0.4771 2.4446 2.4447 2.9622 2.9627 3.0959 3.0964 4.0882 4.0905 4.1166 4.1195 4.2208 4.2256 4.3385 4.3439 4.4095 4.4124 4.5079 4.5097 5.2016 5.2031 5.2301 5.2309 5.6094 5.6096 6.0899 6.0900 6.3403 6.3407 6.5020 6.5026 7.1965 7.1967 7.4991 7.4992 7.8947 7.8955 7.9705 7.9719 8.0171 8.0187 8.0343 8.0355 11.0868 11.0874 11.1572 11.1578 13.0214 13.0215 13.2172 13.2179 13.3241 13.3248 13.9372 13.9374 k = 0.2976 0.5155-0.0000 ( 4833 PWs) bands (ev): -9.1224 -9.1222 -8.9433 -8.9432 -8.9207 -8.9206 -7.4889 -7.4887 -7.3482 -7.3480 -6.6037 -6.6037 -5.0832 -5.0830 -5.0222 -5.0220 -1.1192 -1.1192 0.3139 0.3140 0.5114 0.5116 2.4375 2.4376 2.9294 2.9299 3.1307 3.1312 4.0537 4.0581 4.1023 4.1030 4.2358 4.2400 4.3213 4.3266 4.4059 4.4082 4.5439 4.5457 5.1944 5.1960 5.2348 5.2354 5.6098 5.6102 6.1003 6.1006 6.2808 6.2811 6.5358 6.5365 7.2117 7.2119 7.4936 7.4939 7.8933 7.8942 7.9967 7.9989 8.0186 8.0204 8.0393 8.0407 11.0650 11.0656 11.1694 11.1700 13.0241 13.0244 13.1927 13.1933 13.3490 13.3498 13.9313 13.9316 k = 0.2857 0.4949-0.0000 ( 4837 PWs) bands (ev): -9.1613 -9.1612 -8.9208 -8.9207 -8.8932 -8.8931 -7.5138 -7.5137 -7.3345 -7.3344 -6.6021 -6.6021 -5.0994 -5.0993 -5.0140 -5.0139 -1.0995 -1.0994 0.2879 0.2880 0.5457 0.5458 2.4271 2.4273 2.8966 2.8971 3.1650 3.1655 4.0105 4.0150 4.0902 4.0917 4.2476 4.2513 4.3088 4.3141 4.4034 4.4054 4.5756 4.5773 5.1874 5.1891 5.2379 5.2386 5.6105 5.6109 6.1127 6.1130 6.2157 6.2160 6.5681 6.5687 7.2312 7.2315 7.4933 7.4937 7.8971 7.8982 8.0009 8.0029 8.0426 8.0440 8.0471 8.0494 11.0419 11.0425 11.1789 11.1795 13.0283 13.0286 13.1701 13.1707 13.3721 13.3729 13.9235 13.9238 k = 0.2738 0.4743-0.0000 ( 4831 PWs) bands (ev): -9.1992 -9.1991 -8.8973 -8.8972 -8.8647 -8.8647 -7.5380 -7.5378 -7.3247 -7.3246 -6.6004 -6.6003 -5.1176 -5.1174 -5.0061 -5.0060 -1.0739 -1.0737 0.2652 0.2653 0.5797 0.5799 2.4133 2.4136 2.8633 2.8638 3.1983 3.1988 3.9645 3.9686 4.0775 4.0794 4.2566 4.2598 4.3003 4.3056 4.4032 4.4050 4.6009 4.6024 5.1805 5.1823 5.2394 5.2402 5.6113 5.6118 6.1169 6.1172 6.1549 6.1554 6.5993 6.5999 7.2544 7.2548 7.5016 7.5021 7.9046 7.9061 7.9967 7.9990 8.0495 8.0507 8.0834 8.0840 11.0176 11.0182 11.1851 11.1858 13.0339 13.0343 13.1498 13.1504 13.3930 13.3937 13.9139 13.9143 k = 0.2619 0.4536-0.0000 ( 4821 PWs) bands (ev): -9.2360 -9.2359 -8.8729 -8.8728 -8.8354 -8.8353 -7.5611 -7.5610 -7.3188 -7.3187 -6.5986 -6.5986 -5.1374 -5.1373 -4.9986 -4.9985 -1.0423 -1.0422 0.2459 0.2460 0.6134 0.6135 2.3961 2.3965 2.8291 2.8296 3.2302 3.2307 3.9179 3.9215 4.0637 4.0659 4.2612 4.2638 4.2970 4.3015 4.4053 4.4068 4.6195 4.6208 5.1738 5.1756 5.2391 5.2401 5.6120 5.6127 6.0641 6.0643 6.1455 6.1460 6.6316 6.6321 7.2815 7.2819 7.5198 7.5203 7.9147 7.9167 7.9915 7.9944 8.0550 8.0563 8.1223 8.1228 10.9922 10.9928 11.1880 11.1886 13.0410 13.0414 13.1324 13.1329 13.4114 13.4122 13.9028 13.9032 k = 0.2500 0.4330-0.0000 ( 4825 PWs) bands (ev): -9.2716 -9.2715 -8.8477 -8.8476 -8.8052 -8.8051 -7.5831 -7.5829 -7.3166 -7.3166 -6.5973 -6.5972 -5.1585 -5.1584 -4.9916 -4.9914 -1.0049 -1.0048 0.2304 0.2305 0.6465 0.6467 2.3755 2.3759 2.7931 2.7938 3.2604 3.2608 3.8723 3.8756 4.0491 4.0514 4.2585 4.2610 4.3005 4.3036 4.4090 4.4104 4.6321 4.6334 5.1671 5.1688 5.2372 5.2383 5.6125 5.6133 5.9926 5.9927 6.1465 6.1470 6.6684 6.6688 7.3133 7.3138 7.5472 7.5478 7.9259 7.9286 7.9867 7.9903 8.0605 8.0621 8.1618 8.1623 10.9660 10.9666 11.1871 11.1878 13.0495 13.0500 13.1180 13.1185 13.4271 13.4279 13.8900 13.8904 k = 0.2381 0.4124-0.0000 ( 4833 PWs) bands (ev): -9.3058 -9.3057 -8.8216 -8.8215 -8.7745 -8.7744 -7.6036 -7.6035 -7.3180 -7.3179 -6.5968 -6.5967 -5.1807 -5.1805 -4.9850 -4.9848 -0.9619 -0.9617 0.2187 0.2188 0.6791 0.6792 2.3516 2.3520 2.7547 2.7554 3.2889 3.2892 3.8291 3.8320 4.0340 4.0363 4.2490 4.2519 4.3090 4.3113 4.4136 4.4149 4.6403 4.6415 5.1604 5.1620 5.2336 5.2349 5.6125 5.6132 5.9205 5.9206 6.1378 6.1385 6.7132 6.7136 7.3504 7.3509 7.5821 7.5827 7.9366 7.9401 7.9836 7.9882 8.0662 8.0680 8.2013 8.2017 10.9392 10.9398 11.1825 11.1831 13.0593 13.0599 13.1069 13.1074 13.4402 13.4410 13.8756 13.8761 k = 0.2262 0.3918-0.0000 ( 4829 PWs) bands (ev): -9.3387 -9.3386 -8.7949 -8.7948 -8.7433 -8.7432 -7.6226 -7.6225 -7.3227 -7.3226 -6.5976 -6.5975 -5.2033 -5.2032 -4.9789 -4.9788 -0.9134 -0.9132 0.2111 0.2112 0.7109 0.7110 2.3247 2.3252 2.7131 2.7138 3.3156 3.3159 3.7892 3.7918 4.0187 4.0209 4.2345 4.2375 4.3199 4.3218 4.4188 4.4200 4.6456 4.6469 5.1538 5.1552 5.2286 5.2299 5.6112 5.6120 5.8505 5.8506 6.1169 6.1177 6.7680 6.7684 7.3925 7.3931 7.6224 7.6231 7.9437 7.9477 7.9858 7.9911 8.0721 8.0743 8.2403 8.2407 10.9119 10.9126 11.1739 11.1746 13.0703 13.0709 13.0994 13.0998 13.4507 13.4515 13.8598 13.8603 k = 0.2143 0.3712-0.0000 ( 4831 PWs) bands (ev): -9.3702 -9.3701 -8.7676 -8.7675 -8.7119 -8.7118 -7.6398 -7.6397 -7.3303 -7.3303 -6.6000 -6.5999 -5.2260 -5.2259 -4.9735 -4.9733 -0.8597 -0.8595 0.2076 0.2077 0.7417 0.7418 2.2953 2.2958 2.6674 2.6681 3.3407 3.3409 3.7533 3.7556 4.0033 4.0053 4.2151 4.2181 4.3322 4.3339 4.4242 4.4253 4.6500 4.6513 5.1474 5.1484 5.2220 5.2235 5.6078 5.6086 5.7844 5.7845 6.0846 6.0857 6.8330 6.8334 7.4388 7.4395 7.6660 7.6668 7.9449 7.9480 7.9963 8.0011 8.0787 8.0813 8.2784 8.2788 10.8844 10.8850 11.1615 11.1621 13.0819 13.0826 13.0961 13.0963 13.4587 13.4595 13.8426 13.8431 k = 0.2024 0.3505-0.0000 ( 4831 PWs) bands (ev): -9.4002 -9.4001 -8.7398 -8.7396 -8.6805 -8.6804 -7.6550 -7.6549 -7.3407 -7.3407 -6.6045 -6.6044 -5.2485 -5.2483 -4.9686 -4.9685 -0.8011 -0.8009 0.2082 0.2083 0.7713 0.7715 2.2637 2.2642 2.6174 2.6181 3.3643 3.3646 3.7218 3.7238 3.9878 3.9898 4.1903 4.1933 4.3453 4.3469 4.4299 4.4309 4.6549 4.6563 5.1412 5.1419 5.2142 5.2157 5.5998 5.6007 5.7244 5.7249 6.0434 6.0447 6.9068 6.9072 7.4881 7.4888 7.7112 7.7120 7.9417 7.9437 8.0123 8.0167 8.0865 8.0898 8.3152 8.3156 10.8567 10.8573 11.1453 11.1459 13.0907 13.0915 13.0998 13.1003 13.4644 13.4652 13.8240 13.8245 k = 0.1905 0.3299-0.0000 ( 4831 PWs) bands (ev): -9.4287 -9.4286 -8.7115 -8.7114 -8.6494 -8.6493 -7.6681 -7.6679 -7.3535 -7.3534 -6.6116 -6.6114 -5.2701 -5.2700 -4.9643 -4.9642 -0.7379 -0.7376 0.2127 0.2128 0.7995 0.7997 2.2302 2.2307 2.5628 2.5635 3.3868 3.3870 3.6947 3.6965 3.9725 3.9743 4.1597 4.1626 4.3590 4.3605 4.4360 4.4369 4.6614 4.6628 5.1352 5.1357 5.2050 5.2066 5.5823 5.5838 5.6753 5.6768 5.9964 5.9980 6.9875 6.9879 7.5390 7.5397 7.7562 7.7569 7.9363 7.9375 8.0303 8.0350 8.0969 8.1011 8.3506 8.3509 10.8290 10.8296 11.1255 11.1261 13.0953 13.0960 13.1121 13.1129 13.4682 13.4690 13.8041 13.8046 k = 0.1786 0.3093-0.0000 ( 4821 PWs) bands (ev): -9.4556 -9.4555 -8.6831 -8.6829 -8.6188 -8.6187 -7.6787 -7.6786 -7.3682 -7.3682 -6.6213 -6.6212 -5.2907 -5.2905 -4.9607 -4.9606 -0.6704 -0.6701 0.2212 0.2213 0.8259 0.8261 2.1952 2.1958 2.5039 2.5046 3.4082 3.4084 3.6719 3.6736 3.9572 3.9588 4.1237 4.1265 4.3732 4.3747 4.4428 4.4438 4.6699 4.6714 5.1293 5.1301 5.1946 5.1964 5.5499 5.5523 5.6421 5.6447 5.9469 5.9488 7.0731 7.0735 7.5904 7.5911 7.7992 7.7998 7.9301 7.9307 8.0477 8.0526 8.1129 8.1177 8.3842 8.3846 10.8015 10.8021 11.1024 11.1030 13.1016 13.1022 13.1266 13.1275 13.4703 13.4711 13.7830 13.7836 k = 0.1667 0.2887-0.0000 ( 4821 PWs) bands (ev): -9.4810 -9.4809 -8.6545 -8.6543 -8.5890 -8.5889 -7.6867 -7.6866 -7.3847 -7.3847 -6.6340 -6.6339 -5.3098 -5.3097 -4.9576 -4.9575 -0.5989 -0.5986 0.2334 0.2335 0.8501 0.8503 2.1591 2.1597 2.4412 2.4419 3.4287 3.4289 3.6530 3.6546 3.9417 3.9434 4.0830 4.0859 4.3878 4.3893 4.4504 4.4514 4.6806 4.6820 5.1234 5.1249 5.1832 5.1851 5.5073 5.5102 5.6195 5.6229 5.8981 5.9004 7.1618 7.1622 7.6411 7.6419 7.8384 7.8390 7.9234 7.9238 8.0619 8.0666 8.1377 8.1423 8.4161 8.4164 10.7744 10.7750 11.0765 11.0770 13.1106 13.1111 13.1418 13.1428 13.4713 13.4720 13.7610 13.7616 k = 0.1548 0.2681-0.0000 ( 4821 PWs) bands (ev): -9.5047 -9.5046 -8.6259 -8.6258 -8.5604 -8.5603 -7.6920 -7.6919 -7.4025 -7.4025 -6.6497 -6.6496 -5.3273 -5.3271 -4.9552 -4.9550 -0.5239 -0.5236 0.2490 0.2491 0.8716 0.8719 2.1222 2.1228 2.3754 2.3761 3.4484 3.4487 3.6377 3.6391 3.9258 3.9275 4.0392 4.0421 4.4026 4.4041 4.4586 4.4597 4.6932 4.6945 5.1176 5.1199 5.1707 5.1729 5.4626 5.4660 5.5976 5.6015 5.8535 5.8561 7.2521 7.2525 7.6904 7.6912 7.8722 7.8734 7.9166 7.9178 8.0724 8.0765 8.1718 8.1757 8.4458 8.4462 10.7477 10.7483 11.0480 11.0485 13.1220 13.1225 13.1573 13.1583 13.4715 13.4722 13.7383 13.7390 k = 0.1429 0.2474-0.0000 ( 4815 PWs) bands (ev): -9.5268 -9.5267 -8.5975 -8.5974 -8.5332 -8.5331 -7.6943 -7.6942 -7.4214 -7.4214 -6.6683 -6.6682 -5.3429 -5.3427 -4.9532 -4.9531 -0.4458 -0.4454 0.2678 0.2679 0.8900 0.8903 2.0848 2.0853 2.3075 2.3081 3.4674 3.4677 3.6254 3.6267 3.9083 3.9102 3.9945 3.9977 4.4176 4.4191 4.4673 4.4685 4.7076 4.7088 5.1116 5.1147 5.1574 5.1601 5.4199 5.4237 5.5708 5.5752 5.8161 5.8188 7.3426 7.3430 7.7376 7.7383 7.8964 7.9005 7.9122 7.9164 8.0803 8.0837 8.2131 8.2162 8.4735 8.4738 10.7216 10.7222 11.0176 11.0181 13.1356 13.1361 13.1728 13.1738 13.4714 13.4721 13.7152 13.7159 k = 0.1310 0.2268-0.0000 ( 4811 PWs) bands (ev): -9.5472 -9.5471 -8.5696 -8.5695 -8.5078 -8.5077 -7.6937 -7.6936 -7.4410 -7.4409 -6.6897 -6.6895 -5.3566 -5.3565 -4.9518 -4.9517 -0.3648 -0.3644 0.2893 0.2894 0.9045 0.9048 2.0473 2.0478 2.2386 2.2392 3.4855 3.4859 3.6158 3.6170 3.8863 3.8885 3.9534 3.9569 4.4325 4.4340 4.4764 4.4776 4.7235 4.7247 5.1048 5.1086 5.1438 5.1471 5.3807 5.3850 5.5371 5.5417 5.7876 5.7903 7.4321 7.4324 7.7821 7.7826 7.8990 7.9014 7.9296 7.9320 8.0866 8.0896 8.2591 8.2616 8.4988 8.4991 10.6963 10.6969 10.9858 10.9863 13.1509 13.1514 13.1879 13.1889 13.4714 13.4721 13.6921 13.6927 k = 0.1190 0.2062-0.0000 ( 4813 PWs) bands (ev): -9.5659 -9.5658 -8.5423 -8.5422 -8.4843 -8.4843 -7.6900 -7.6900 -7.4609 -7.4609 -6.7134 -6.7132 -5.3684 -5.3683 -4.9508 -4.9507 -0.2815 -0.2811 0.3130 0.3131 0.9144 0.9147 2.0099 2.0104 2.1698 2.1703 3.5028 3.5032 3.6083 3.6095 3.8554 3.8574 3.9223 3.9256 4.4473 4.4487 4.4854 4.4867 4.7408 4.7419 5.0960 5.1005 5.1308 5.1352 5.3456 5.3503 5.4973 5.5021 5.7674 5.7698 7.5193 7.5196 7.8231 7.8234 7.8944 7.8961 7.9498 7.9512 8.0921 8.0947 8.3076 8.3096 8.5217 8.5220 10.6720 10.6725 10.9533 10.9537 13.1674 13.1679 13.2025 13.2035 13.4721 13.4728 13.6693 13.6700 k = 0.1071 0.1856-0.0000 ( 4815 PWs) bands (ev): -9.5829 -9.5828 -8.5159 -8.5158 -8.4631 -8.4631 -7.6836 -7.6835 -7.4809 -7.4808 -6.7390 -6.7388 -5.3784 -5.3783 -4.9501 -4.9500 -0.1963 -0.1958 0.3384 0.3385 0.9188 0.9191 1.9731 1.9735 2.1026 2.1031 3.5191 3.5195 3.6027 3.6038 3.8160 3.8173 3.9020 3.9047 4.4617 4.4630 4.4943 4.4956 4.7594 4.7605 5.0842 5.0889 5.1197 5.1252 5.3150 5.3200 5.4537 5.4588 5.7537 5.7558 7.6032 7.6035 7.8580 7.8594 7.8907 7.8935 7.9668 7.9677 8.0971 8.0996 8.3568 8.3584 8.5421 8.5424 10.6488 10.6493 10.9206 10.9210 13.1844 13.1849 13.2161 13.2171 13.4740 13.4746 13.6473 13.6480 k = 0.0952 0.1650-0.0000 ( 4815 PWs) bands (ev): -9.5981 -9.5980 -8.4908 -8.4907 -8.4443 -8.4443 -7.6745 -7.6744 -7.5005 -7.5004 -6.7658 -6.7657 -5.3867 -5.3865 -4.9498 -4.9497 -0.1096 -0.1091 0.3648 0.3649 0.9166 0.9170 1.9374 1.9378 2.0383 2.0388 3.5343 3.5347 3.5986 3.5996 3.7735 3.7744 3.8877 3.8899 4.4755 4.4768 4.5028 4.5040 4.7791 4.7804 5.0693 5.0738 5.1104 5.1171 5.2889 5.2941 5.4090 5.4143 5.7445 5.7462 7.6828 7.6829 7.8745 7.8768 7.9024 7.9060 7.9810 7.9817 8.1020 8.1043 8.4048 8.4061 8.5600 8.5602 10.6270 10.6274 10.8886 10.8890 13.2014 13.2018 13.2286 13.2295 13.4775 13.4780 13.6266 13.6272 k = 0.0833 0.1443-0.0000 ( 4805 PWs) bands (ev): -9.6116 -9.6115 -8.4672 -8.4671 -8.4280 -8.4279 -7.6633 -7.6632 -7.5193 -7.5192 -6.7933 -6.7931 -5.3934 -5.3933 -4.9497 -4.9496 -0.0219 -0.0214 0.3913 0.3915 0.9070 0.9075 1.9033 1.9036 1.9785 1.9789 3.5481 3.5485 3.5957 3.5966 3.7321 3.7327 3.8764 3.8782 4.4886 4.4897 4.5107 4.5119 4.8000 4.8015 5.0525 5.0566 5.1017 5.1095 5.2673 5.2725 5.3654 5.3711 5.7381 5.7396 7.7567 7.7568 7.8736 7.8746 7.9302 7.9325 7.9928 7.9933 8.1069 8.1090 8.4504 8.4515 8.5753 8.5755 10.6067 10.6071 10.8580 10.8583 13.2176 13.2179 13.2398 13.2406 13.4829 13.4834 13.6075 13.6081 k = 0.0714 0.1237-0.0000 ( 4799 PWs) bands (ev): -9.6233 -9.6232 -8.4455 -8.4454 -8.4141 -8.4140 -7.6505 -7.6504 -7.5369 -7.5369 -6.8204 -6.8202 -5.3987 -5.3986 -4.9498 -4.9497 0.0661 0.0666 0.4173 0.4174 0.8890 0.8895 1.8714 1.8717 1.9246 1.9249 3.5604 3.5609 3.5938 3.5945 3.6938 3.6943 3.8670 3.8685 4.5006 4.5017 4.5178 4.5189 4.8219 4.8239 5.0351 5.0387 5.0920 5.1010 5.2498 5.2549 5.3247 5.3309 5.7337 5.7349 7.8231 7.8239 7.8703 7.8713 7.9559 7.9578 8.0026 8.0030 8.1120 8.1140 8.4921 8.4930 8.5880 8.5882 10.5884 10.5887 10.8294 10.8297 13.2323 13.2326 13.2494 13.2501 13.4904 13.4909 13.5903 13.5909 k = 0.0595 0.1031-0.0000 ( 4801 PWs) bands (ev): -9.6332 -9.6332 -8.4261 -8.4260 -8.4026 -8.4026 -7.6370 -7.6369 -7.5529 -7.5529 -6.8462 -6.8461 -5.4029 -5.4028 -4.9500 -4.9499 0.1537 0.1543 0.4417 0.4418 0.8619 0.8625 1.8425 1.8427 1.8777 1.8779 3.5710 3.5715 3.5924 3.5929 3.6601 3.6606 3.8592 3.8604 4.5115 4.5124 4.5240 4.5250 4.8450 4.8475 5.0184 5.0215 5.0803 5.0901 5.2362 5.2409 5.2888 5.2951 5.7305 5.7315 7.8629 7.8656 7.8843 7.8871 7.9777 7.9793 8.0105 8.0108 8.1173 8.1192 8.5291 8.5298 8.5983 8.5984 10.5722 10.5725 10.8037 10.8039 13.2451 13.2453 13.2574 13.2580 13.4999 13.5003 13.5754 13.5759 k = 0.0476 0.0825-0.0000 ( 4789 PWs) bands (ev): -9.6413 -9.6413 -8.4095 -8.4094 -8.3934 -8.3934 -7.6237 -7.6236 -7.5668 -7.5668 -6.8696 -6.8695 -5.4060 -5.4059 -4.9502 -4.9502 0.2402 0.2407 0.4635 0.4636 0.8257 0.8263 1.8173 1.8175 1.8389 1.8390 3.5794 3.5799 3.5913 3.5916 3.6324 3.6329 3.8528 3.8538 4.5209 4.5216 4.5293 4.5301 4.8692 4.8723 5.0033 5.0058 5.0654 5.0756 5.2260 5.2301 5.2592 5.2652 5.7283 5.7290 7.8620 7.8629 7.9340 7.9350 7.9952 7.9965 8.0169 8.0172 8.1229 8.1245 8.5605 8.5610 8.6062 8.6064 10.5585 10.5587 10.7815 10.7816 13.2555 13.2556 13.2639 13.2644 13.5107 13.5110 13.5630 13.5635 k = 0.0357 0.0619-0.0000 ( 4795 PWs) bands (ev): -9.6477 -9.6477 -8.3961 -8.3960 -8.3865 -8.3864 -7.6117 -7.6116 -7.5782 -7.5782 -6.8896 -6.8895 -5.4082 -5.4082 -4.9505 -4.9505 0.3242 0.3248 0.4818 0.4818 0.7808 0.7814 1.7965 1.7966 1.8087 1.8088 3.5831 3.5834 3.5915 3.5916 3.6124 3.6130 3.8477 3.8485 4.5285 4.5291 4.5334 4.5341 4.8943 4.8982 4.9907 4.9926 5.0468 5.0568 5.2188 5.2221 5.2369 5.2420 5.7267 5.7272 7.8598 7.8603 7.9738 7.9745 8.0084 8.0094 8.0221 8.0223 8.1284 8.1298 8.5855 8.5859 8.6120 8.6121 10.5474 10.5476 10.7634 10.7636 13.2633 13.2633 13.2689 13.2692 13.5217 13.5219 13.5533 13.5536 k = 0.0238 0.0412-0.0000 ( 4791 PWs) bands (ev): -9.6522 -9.6522 -8.3862 -8.3862 -8.3815 -8.3815 -7.6021 -7.6021 -7.5866 -7.5866 -6.9048 -6.9048 -5.4098 -5.4097 -4.9507 -4.9507 0.4036 0.4041 0.4956 0.4957 0.7294 0.7299 1.7807 1.7808 1.7876 1.7877 3.5783 3.5784 3.5948 3.5949 3.6023 3.6029 3.8442 3.8447 4.5342 4.5347 4.5365 4.5369 4.9202 4.9250 4.9812 4.9825 5.0249 5.0340 5.2142 5.2165 5.2220 5.2256 5.7257 5.7260 7.8582 7.8585 8.0021 8.0025 8.0174 8.0181 8.0265 8.0266 8.1335 8.1344 8.6038 8.6041 8.6158 8.6159 10.5394 10.5395 10.7501 10.7502 13.2684 13.2685 13.2727 13.2728 13.5314 13.5316 13.5462 13.5465 k = 0.0119 0.0206-0.0000 ( 4795 PWs) bands (ev): -9.6549 -9.6549 -8.3804 -8.3804 -8.3783 -8.3783 -7.5961 -7.5961 -7.5917 -7.5917 -6.9145 -6.9144 -5.4106 -5.4106 -4.9508 -4.9508 0.4725 0.4730 0.5043 0.5043 0.6772 0.6776 1.7704 1.7704 1.7756 1.7756 3.5718 3.5718 3.5975 3.5976 3.5992 3.5995 3.8421 3.8424 4.5378 4.5380 4.5384 4.5386 4.9466 4.9525 4.9754 4.9761 5.0007 5.0083 5.2117 5.2129 5.2141 5.2156 5.7251 5.7253 7.8571 7.8573 8.0174 8.0176 8.0227 8.0231 8.0308 8.0309 8.1372 8.1377 8.6149 8.6150 8.6180 8.6180 10.5345 10.5346 10.7420 10.7420 13.2712 13.2713 13.2751 13.2751 13.5382 13.5383 13.5420 13.5421 k = 0.0000 0.0000 0.0000 ( 4799 PWs) bands (ev): -9.6558 -9.6558 -8.3788 -8.3788 -8.3769 -8.3769 -7.5947 -7.5947 -7.5927 -7.5927 -6.9177 -6.9177 -5.4109 -5.4109 -4.9509 -4.9509 0.5063 0.5063 0.5081 0.5081 0.6485 0.6485 1.7667 1.7667 1.7718 1.7718 3.5692 3.5692 3.5983 3.5983 3.5989 3.5989 3.8415 3.8415 4.5391 4.5391 4.5391 4.5391 4.9704 4.9704 4.9749 4.9749 4.9830 4.9830 5.2112 5.2112 5.2121 5.2121 5.7250 5.7250 7.8568 7.8568 8.0211 8.0211 8.0249 8.0249 8.0333 8.0333 8.1387 8.1387 8.6184 8.6184 8.6190 8.6190 10.5329 10.5329 10.7392 10.7392 13.2721 13.2721 13.2760 13.2760 13.5405 13.5405 13.5408 13.5408 k = 0.0000 0.0000 0.0000 ( 4799 PWs) bands (ev): -9.6558 -9.6558 -8.3788 -8.3788 -8.3769 -8.3769 -7.5947 -7.5947 -7.5927 -7.5927 -6.9177 -6.9177 -5.4109 -5.4109 -4.9509 -4.9509 0.5063 0.5063 0.5081 0.5081 0.6485 0.6485 1.7667 1.7667 1.7718 1.7718 3.5692 3.5692 3.5983 3.5983 3.5989 3.5989 3.8415 3.8415 4.5391 4.5391 4.5391 4.5391 4.9704 4.9704 4.9749 4.9749 4.9830 4.9830 5.2112 5.2112 5.2121 5.2121 5.7250 5.7250 7.8568 7.8568 8.0211 8.0211 8.0249 8.0249 8.0333 8.0333 8.1387 8.1387 8.6184 8.6184 8.6190 8.6190 10.5329 10.5329 10.7392 10.7392 13.2721 13.2721 13.2760 13.2760 13.5405 13.5405 13.5408 13.5408 k = 0.0000 0.0000 0.0238 ( 4799 PWs) bands (ev): -9.6548 -9.6548 -8.3781 -8.3777 -8.3762 -8.3758 -7.5942 -7.5936 -7.5921 -7.5916 -6.9170 -6.9170 -5.4103 -5.4103 -4.9501 -4.9500 0.5045 0.5063 0.5088 0.5106 0.6490 0.6490 1.7653 1.7685 1.7705 1.7736 3.5699 3.5699 3.5938 3.5945 3.6029 3.6035 3.8360 3.8360 4.5322 4.5322 4.5390 4.5390 4.9386 4.9414 4.9773 4.9788 5.0025 5.0039 5.1760 5.1769 5.2437 5.2447 5.7204 5.7204 7.8493 7.8494 8.0198 8.0199 8.0199 8.0219 8.0321 8.0341 8.1334 8.1335 8.6174 8.6180 8.6206 8.6213 10.5446 10.5448 10.7487 10.7488 13.2761 13.2779 13.2801 13.2818 13.5430 13.5434 13.5467 13.5469 k = 0.0000 0.0000 0.0476 ( 4787 PWs) bands (ev): -9.6516 -9.6516 -8.3755 -8.3748 -8.3737 -8.3730 -7.5921 -7.5910 -7.5901 -7.5890 -6.9147 -6.9147 -5.4084 -5.4084 -4.9476 -4.9476 0.5034 0.5052 0.5121 0.5140 0.6504 0.6504 1.7644 1.7695 1.7707 1.7758 3.5722 3.5722 3.5893 3.5901 3.6076 3.6082 3.8196 3.8196 4.5184 4.5185 4.5322 4.5322 4.9017 4.9041 4.9697 4.9706 5.0242 5.0257 5.1406 5.1418 5.2730 5.2742 5.7070 5.7070 7.8274 7.8276 8.0017 8.0018 8.0182 8.0222 8.0305 8.0345 8.1213 8.1215 8.6176 8.6183 8.6240 8.6247 10.5795 10.5797 10.7769 10.7770 13.2900 13.2937 13.2940 13.2975 13.5542 13.5546 13.5614 13.5615 k = 0.0000 0.0000 0.0714 ( 4811 PWs) bands (ev): -9.6464 -9.6464 -8.3712 -8.3701 -8.3693 -8.3683 -7.5884 -7.5868 -7.5864 -7.5848 -6.9109 -6.9109 -5.4053 -5.4053 -4.9435 -4.9435 0.5030 0.5047 0.5161 0.5180 0.6527 0.6528 1.7638 1.7689 1.7734 1.7785 3.5758 3.5759 3.5846 3.5855 3.6125 3.6130 3.7924 3.7924 4.4979 4.4979 4.5189 4.5190 4.8609 4.8630 4.9561 4.9569 5.0286 5.0287 5.1161 5.1187 5.2992 5.3007 5.6848 5.6848 7.7917 7.7919 7.9638 7.9638 8.0161 8.0219 8.0283 8.0342 8.1103 8.1105 8.6191 8.6198 8.6285 8.6292 10.6357 10.6361 10.8229 10.8230 13.3134 13.3176 13.3191 13.3228 13.5739 13.5744 13.5843 13.5843 k = 0.0000 0.0000 0.0952 ( 4811 PWs) bands (ev): -9.6390 -9.6390 -8.3650 -8.3636 -8.3632 -8.3618 -7.5832 -7.5812 -7.5811 -7.5791 -6.9057 -6.9056 -5.4010 -5.4010 -4.9378 -4.9377 0.5032 0.5049 0.5209 0.5227 0.6560 0.6560 1.7636 1.7686 1.7765 1.7815 3.5793 3.5802 3.5810 3.5811 3.6174 3.6179 3.7550 3.7550 4.4711 4.4712 4.4998 4.5000 4.8161 4.8179 4.9365 4.9374 4.9985 4.9997 5.1184 5.1221 5.3229 5.3246 5.6547 5.6548 7.7438 7.7441 7.9040 7.9040 8.0136 8.0211 8.0259 8.0334 8.1050 8.1052 8.6218 8.6225 8.6341 8.6348 10.7111 10.7115 10.8850 10.8852 13.3461 13.3504 13.3539 13.3576 13.6018 13.6023 13.6149 13.6149 k = 0.0000 0.0000 0.1189 ( 4811 PWs) bands (ev): -9.6296 -9.6296 -8.3571 -8.3553 -8.3553 -8.3535 -7.5765 -7.5745 -7.5738 -7.5718 -6.8989 -6.8988 -5.3954 -5.3954 -4.9304 -4.9304 0.5040 0.5057 0.5263 0.5282 0.6601 0.6601 1.7636 1.7685 1.7799 1.7849 3.5728 3.5739 3.5875 3.5876 3.6221 3.6225 3.7079 3.7079 4.4388 4.4388 4.4757 4.4760 4.7673 4.7688 4.9101 4.9115 4.9478 4.9499 5.1358 5.1397 5.3444 5.3464 5.6175 5.6176 7.6854 7.6857 7.8256 7.8257 8.0107 8.0197 8.0230 8.0319 8.1044 8.1046 8.6256 8.6263 8.6406 8.6413 10.8029 10.8034 10.9617 10.9618 13.3876 13.3920 13.3977 13.4015 13.6373 13.6378 13.6524 13.6526 k = 0.0000 0.0000 0.1427 ( 4811 PWs) bands (ev): -9.6180 -9.6180 -8.3474 -8.3456 -8.3452 -8.3434 -7.5682 -7.5662 -7.5650 -7.5630 -6.8907 -6.8906 -5.3886 -5.3885 -4.9214 -4.9214 0.5054 0.5070 0.5324 0.5343 0.6649 0.6650 1.7636 1.7684 1.7836 1.7886 3.5647 3.5659 3.5954 3.5956 3.6261 3.6262 3.6517 3.6519 4.4018 4.4018 4.4476 4.4481 4.7144 4.7156 4.8746 4.8787 4.8873 4.8923 5.1571 5.1612 5.3643 5.3665 5.5742 5.5743 7.6181 7.6185 7.7326 7.7327 8.0074 8.0176 8.0198 8.0298 8.1067 8.1069 8.6305 8.6312 8.6478 8.6486 10.9086 10.9091 11.0509 11.0510 13.4372 13.4418 13.4499 13.4537 13.6798 13.6804 13.6961 13.6964 k = 0.0000 0.0000 0.1665 ( 4799 PWs) bands (ev): -9.6044 -9.6044 -8.3359 -8.3341 -8.3334 -8.3315 -7.5584 -7.5564 -7.5546 -7.5527 -6.8810 -6.8810 -5.3805 -5.3805 -4.9108 -4.9108 0.5071 0.5088 0.5391 0.5409 0.6705 0.6706 1.7637 1.7684 1.7875 1.7924 3.5542 3.5554 3.5870 3.5874 3.6046 3.6048 3.6288 3.6295 4.3612 4.3613 4.4168 4.4175 4.6575 4.6583 4.8185 4.8203 4.8383 4.8412 5.1796 5.1838 5.3831 5.3855 5.5261 5.5262 7.5437 7.5442 7.6283 7.6285 8.0038 8.0149 8.0162 8.0271 8.1107 8.1109 8.6362 8.6370 8.6557 8.6565 11.0258 11.0263 11.1509 11.1510 13.4943 13.4990 13.5099 13.5137 13.7284 13.7290 13.7446 13.7452 k = 0.0000 0.0000 0.1903 ( 4799 PWs) bands (ev): -9.5887 -9.5887 -8.3226 -8.3208 -8.3197 -8.3179 -7.5471 -7.5451 -7.5428 -7.5408 -6.8700 -6.8699 -5.3712 -5.3712 -4.8987 -4.8986 0.5092 0.5108 0.5462 0.5481 0.6766 0.6768 1.7635 1.7681 1.7915 1.7963 3.5149 3.5151 3.5404 3.5422 3.6150 3.6152 3.6294 3.6299 4.3185 4.3187 4.3848 4.3857 4.5967 4.5972 4.7479 4.7480 4.7895 4.7911 5.2026 5.2068 5.4010 5.4037 5.4743 5.4746 7.4638 7.4642 7.5152 7.5153 7.9997 8.0113 8.0120 8.0235 8.1157 8.1159 8.6428 8.6436 8.6640 8.6648 11.1524 11.1530 11.2598 11.2600 13.5577 13.5627 13.5767 13.5806 13.7819 13.7825 13.7965 13.7973 k = 0.0000 0.0000 0.2141 ( 4811 PWs) bands (ev): -9.5709 -9.5709 -8.3076 -8.3058 -8.3043 -8.3025 -7.5343 -7.5323 -7.5295 -7.5275 -6.8576 -6.8575 -5.3608 -5.3608 -4.8849 -4.8849 0.5114 0.5130 0.5538 0.5556 0.6832 0.6834 1.7630 1.7674 1.7953 1.8001 3.4365 3.4365 3.5223 3.5240 3.6265 3.6266 3.6267 3.6272 4.2756 4.2759 4.3532 4.3542 4.5322 4.5324 4.6711 4.6716 4.7319 4.7331 5.2258 5.2302 5.4168 5.4202 5.4215 5.4223 7.3796 7.3801 7.3950 7.3952 7.9951 8.0070 8.0074 8.0192 8.1212 8.1213 8.6500 8.6508 8.6726 8.6735 11.2866 11.2872 11.3762 11.3764 13.6264 13.6316 13.6492 13.6531 13.8389 13.8395 13.8496 13.8507 k = 0.0000 0.0000 0.2379 ( 4817 PWs) bands (ev): -9.5511 -9.5511 -8.2909 -8.2891 -8.2872 -8.2854 -7.5201 -7.5181 -7.5147 -7.5127 -6.8439 -6.8438 -5.3491 -5.3491 -4.8696 -4.8696 0.5137 0.5152 0.5616 0.5635 0.6902 0.6904 1.7619 1.7662 1.7990 1.8036 3.3523 3.3523 3.4988 3.5006 3.6191 3.6196 3.6388 3.6390 4.2346 4.2350 4.3236 4.3248 4.4644 4.4645 4.5903 4.5911 4.6651 4.6661 5.2494 5.2538 5.3648 5.3649 5.4364 5.4392 7.2692 7.2694 7.2926 7.2931 7.9900 8.0018 8.0023 8.0140 8.1268 8.1269 8.6577 8.6586 8.6815 8.6824 11.4270 11.4276 11.4986 11.4988 13.6986 13.7040 13.7260 13.7299 13.8974 13.8980 13.9011 13.9026 k = 0.0000 0.0000 0.2617 ( 4805 PWs) bands (ev): -9.5292 -9.5292 -8.2724 -8.2706 -8.2684 -8.2665 -7.5044 -7.5024 -7.4984 -7.4965 -6.8290 -6.8289 -5.3363 -5.3363 -4.8528 -4.8527 0.5159 0.5173 0.5696 0.5714 0.6973 0.6975 1.7599 1.7640 1.8021 1.8066 3.2633 3.2634 3.4691 3.4710 3.6050 3.6055 3.6518 3.6521 4.1981 4.1986 4.2979 4.2992 4.3937 4.3940 4.5061 4.5072 4.5890 4.5901 5.2731 5.2779 5.3090 5.3092 5.4542 5.4572 7.1392 7.1393 7.2037 7.2043 7.9844 7.9958 7.9967 8.0079 8.1323 8.1323 8.6658 8.6668 8.6904 8.6914 11.5722 11.5728 11.6259 11.6260 13.7724 13.7780 13.8051 13.8090 13.9470 13.9490 13.9549 13.9554 k = 0.0000 0.0000 0.2855 ( 4835 PWs) bands (ev): -9.5053 -9.5053 -8.2523 -8.2505 -8.2478 -8.2460 -7.4874 -7.4854 -7.4808 -7.4789 -6.8129 -6.8128 -5.3222 -5.3222 -4.8345 -4.8344 0.5177 0.5191 0.5776 0.5794 0.7043 0.7045 1.7567 1.7606 1.8045 1.8088 3.1705 3.1706 3.4324 3.4344 3.5826 3.5831 3.6651 3.6654 4.1683 4.1689 4.2770 4.2785 4.3206 4.3213 4.4192 4.4206 4.5041 4.5052 5.2523 5.2530 5.2984 5.3024 5.4724 5.4755 7.0055 7.0057 7.1138 7.1144 7.9782 7.9889 7.9905 8.0010 8.1373 8.1374 8.6742 8.6752 8.6991 8.7002 11.7209 11.7215 11.7569 11.7571 13.8446 13.8506 13.8840 13.8878 13.9820 13.9846 14.0077 14.0080 k = 0.0000 0.0000 0.3093 ( 4835 PWs) bands (ev): -9.4794 -9.4793 -8.2304 -8.2287 -8.2256 -8.2237 -7.4689 -7.4669 -7.4617 -7.4598 -6.7957 -6.7955 -5.3070 -5.3070 -4.8147 -4.8146 0.5191 0.5204 0.5854 0.5872 0.7109 0.7112 1.7520 1.7557 1.8059 1.8101 3.0750 3.0751 3.3886 3.3907 3.5509 3.5513 3.6781 3.6786 4.1473 4.1480 4.2460 4.2470 4.2623 4.2639 4.3304 4.3319 4.4113 4.4124 5.1966 5.1971 5.3232 5.3275 5.4912 5.4944 6.8693 6.8694 7.0240 7.0246 7.9715 7.9811 7.9837 7.9932 8.1419 8.1420 8.6827 8.6837 8.7078 8.7089 11.8723 11.8729 11.8909 11.8910 13.9113 13.9174 13.9589 13.9625 13.9999 14.0031 14.0509 14.0509 k = 0.0000 0.0000 0.3331 ( 4835 PWs) bands (ev): -9.4514 -9.4514 -8.2069 -8.2052 -8.2017 -8.1998 -7.4492 -7.4472 -7.4414 -7.4395 -6.7774 -6.7772 -5.2907 -5.2906 -4.7934 -4.7934 0.5196 0.5209 0.5928 0.5945 0.7169 0.7172 1.7455 1.7489 1.8060 1.8099 2.9778 2.9779 3.3379 3.3400 3.5097 3.5101 3.6901 3.6906 4.1359 4.1365 4.1706 4.1719 4.2401 4.2420 4.2542 4.2560 4.3120 4.3131 5.1406 5.1411 5.3489 5.3531 5.5107 5.5140 6.7310 6.7311 6.9349 6.9355 7.9641 7.9725 7.9763 7.9845 8.1457 8.1458 8.6913 8.6923 8.7163 8.7174 12.0252 12.0258 12.0269 12.0270 13.9665 13.9726 13.9948 13.9985 14.0245 14.0278 14.0777 14.0780 k = 0.0000 0.0000 0.3568 ( 4823 PWs) bands (ev): -9.4215 -9.4215 -8.1818 -8.1801 -8.1762 -8.1743 -7.4282 -7.4262 -7.4197 -7.4179 -6.7581 -6.7580 -5.2732 -5.2731 -4.7708 -4.7707 0.5192 0.5204 0.5995 0.6012 0.7219 0.7221 1.7366 1.7398 1.8043 1.8080 2.8798 2.8799 3.2811 3.2832 3.4601 3.4604 3.6993 3.6999 4.0949 4.0966 4.1337 4.1346 4.1496 4.1517 4.2085 4.2097 4.2526 4.2544 5.0844 5.0849 5.3752 5.3794 5.5309 5.5343 6.5912 6.5913 6.8472 6.8477 7.9561 7.9630 7.9683 7.9750 8.1488 8.1488 8.6998 8.7009 8.7243 8.7255 12.1644 12.1645 12.1789 12.1795 13.9638 13.9679 14.0022 14.0080 14.0735 14.0754 14.0823 14.0826 k = 0.0000 0.0000 0.3806 ( 4811 PWs) bands (ev): -9.3896 -9.3895 -8.1551 -8.1534 -8.1490 -8.1472 -7.4059 -7.4039 -7.3968 -7.3950 -6.7381 -6.7379 -5.2545 -5.2545 -4.7467 -4.7467 0.5174 0.5186 0.6053 0.6070 0.7253 0.7256 1.7250 1.7279 1.8004 1.8038 2.7821 2.7823 3.2192 3.2212 3.4038 3.4039 3.7024 3.7032 4.0200 4.0220 4.0594 4.0616 4.1049 4.1063 4.1399 4.1408 4.2572 4.2591 5.0276 5.0280 5.4021 5.4064 5.5520 5.5555 6.4504 6.4505 6.7613 6.7619 7.9475 7.9526 7.9597 7.9645 8.1508 8.1508 8.7082 8.7093 8.7320 8.7332 12.3027 12.3028 12.3325 12.3330 13.9085 13.9127 14.0095 14.0146 14.0583 14.0596 14.0968 14.0991 k = 0.0000 0.0000 0.4044 ( 4805 PWs) bands (ev): -9.3557 -9.3557 -8.1269 -8.1252 -8.1203 -8.1185 -7.3824 -7.3804 -7.3727 -7.3709 -6.7172 -6.7170 -5.2347 -5.2347 -4.7214 -4.7213 0.5141 0.5152 0.6098 0.6114 0.7268 0.7271 1.7100 1.7126 1.7937 1.7969 2.6859 2.6861 3.1534 3.1553 3.3426 3.3427 3.6917 3.6926 3.9466 3.9489 3.9702 3.9728 4.0094 4.0108 4.1533 4.1541 4.2677 4.2695 4.9701 4.9705 5.4298 5.4340 5.5739 5.5774 6.3091 6.3091 6.6777 6.6783 7.9383 7.9414 7.9504 7.9533 8.1516 8.1517 8.7162 8.7174 8.7391 8.7403 12.4414 12.4415 12.4852 12.4857 13.8330 13.8371 13.9821 13.9861 14.0082 14.0098 14.0866 14.0878 k = 0.0000 0.0000 0.4282 ( 4811 PWs) bands (ev): -9.3199 -9.3199 -8.0971 -8.0954 -8.0901 -8.0883 -7.3578 -7.3558 -7.3474 -7.3456 -6.6958 -6.6956 -5.2138 -5.2137 -4.6947 -4.6947 0.5088 0.5097 0.6127 0.6143 0.7257 0.7260 1.6913 1.6935 1.7838 1.7867 2.5921 2.5923 3.0850 3.0869 3.2785 3.2786 3.6529 3.6539 3.8755 3.8782 3.8831 3.8859 3.9369 3.9382 4.1725 4.1733 4.2834 4.2852 4.9118 4.9121 5.4581 5.4623 5.5965 5.6001 6.1675 6.1675 6.5969 6.5975 7.9284 7.9294 7.9405 7.9412 8.1513 8.1513 8.7240 8.7251 8.7455 8.7468 12.5800 12.5800 12.6362 12.6368 13.7420 13.7461 13.9202 13.9227 13.9354 13.9371 14.0404 14.0404 k = 0.0000 0.0000 0.4520 ( 4799 PWs) bands (ev): -9.2822 -9.2821 -8.0658 -8.0641 -8.0583 -8.0565 -7.3321 -7.3302 -7.3211 -7.3193 -6.6738 -6.6736 -5.1917 -5.1917 -4.6669 -4.6668 0.5012 0.5021 0.6136 0.6151 0.7213 0.7217 1.6682 1.6701 1.7699 1.7725 2.5020 2.5023 3.0155 3.0172 3.2133 3.2135 3.5754 3.5760 3.7990 3.8021 3.8076 3.8106 3.8985 3.8994 4.1966 4.1975 4.3037 4.3055 4.8529 4.8532 5.4871 5.4912 5.6199 5.6235 6.0260 6.0260 6.5193 6.5199 7.9166 7.9180 7.9283 7.9300 8.1496 8.1496 8.7313 8.7324 8.7514 8.7526 12.7181 12.7181 12.7850 12.7855 13.6397 13.6437 13.8295 13.8308 13.8452 13.8470 13.9614 13.9625 k = 0.0000 0.0000 0.4758 ( 4811 PWs) bands (ev): -9.2426 -9.2425 -8.0331 -8.0314 -8.0251 -8.0233 -7.3054 -7.3035 -7.2937 -7.2919 -6.6515 -6.6513 -5.1686 -5.1685 -4.6378 -4.6377 0.4908 0.4917 0.6120 0.6134 0.7129 0.7133 1.6403 1.6419 1.7516 1.7538 2.4168 2.4171 2.9460 2.9476 3.1484 3.1488 3.4680 3.4683 3.7187 3.7221 3.7436 3.7470 3.8849 3.8854 4.2248 4.2257 4.3283 4.3300 4.7938 4.7940 5.5167 5.5208 5.6441 5.6477 5.8849 5.8849 6.4452 6.4458 7.9031 7.9069 7.9147 7.9188 8.1464 8.1465 8.7381 8.7392 8.7565 8.7577 12.8554 12.8555 12.9307 12.9311 13.5291 13.5329 13.7179 13.7180 13.7423 13.7442 13.8587 13.8606 k = 0.0000 0.0000 0.4996 ( 4811 PWs) bands (ev): -9.2011 -9.2011 -7.9990 -7.9973 -7.9905 -7.9887 -7.2777 -7.2758 -7.2653 -7.2636 -6.6289 -6.6287 -5.1443 -5.1442 -4.6077 -4.6076 0.4775 0.4782 0.6076 0.6089 0.6998 0.7002 1.6071 1.6083 1.7280 1.7299 2.3377 2.3380 2.8779 2.8793 3.0852 3.0857 3.3446 3.3447 3.6432 3.6470 3.6844 3.6881 3.8819 3.8821 4.2566 4.2575 4.3565 4.3583 4.7352 4.7353 5.5469 5.5510 5.6689 5.6725 5.7447 5.7447 6.3747 6.3753 7.8889 7.8953 7.9004 7.9071 8.1418 8.1418 8.7443 8.7454 8.7607 8.7620 12.9917 12.9917 13.0728 13.0732 13.4123 13.4160 13.5913 13.5921 13.6303 13.6322 13.7396 13.7421 k = 0.0000 0.0000 0.5234 ( 4799 PWs) bands (ev): -9.1578 -9.1578 -7.9635 -7.9619 -7.9545 -7.9527 -7.2492 -7.2473 -7.2360 -7.2343 -6.6064 -6.6061 -5.1188 -5.1188 -4.5764 -4.5763 0.4608 0.4615 0.5997 0.6010 0.6812 0.6817 1.5683 1.5692 1.6987 1.7002 2.2657 2.2660 2.8122 2.8135 3.0248 3.0254 3.2128 3.2129 3.5734 3.5774 3.6304 3.6344 3.8811 3.8811 4.2914 4.2924 4.3881 4.3899 4.6782 4.6782 5.5777 5.5817 5.6055 5.6056 5.6943 5.6979 6.3082 6.3088 7.8742 7.8832 7.8856 7.8950 8.1355 8.1355 8.7498 8.7509 8.7642 8.7654 13.1266 13.1267 13.2107 13.2111 13.2910 13.2947 13.4555 13.4570 13.5117 13.5137 13.6098 13.6128 k = 0.0000 0.0000 0.5472 ( 4799 PWs) bands (ev): -9.1127 -9.1127 -7.9267 -7.9251 -7.9172 -7.9154 -7.2199 -7.2180 -7.2060 -7.2043 -6.5840 -6.5837 -5.0923 -5.0922 -4.5442 -4.5441 0.4405 0.4410 0.5881 0.5892 0.6565 0.6571 1.5236 1.5242 1.6631 1.6643 2.2018 2.2022 2.7501 2.7512 2.9681 2.9688 3.0763 3.0765 3.5098 3.5141 3.5821 3.5865 3.8778 3.8780 4.3289 4.3299 4.4228 4.4245 4.6241 4.6242 5.4677 5.4677 5.6090 5.6130 5.7202 5.7238 6.2456 6.2463 7.8590 7.8703 7.8706 7.8823 8.1275 8.1275 8.7546 8.7557 8.7666 8.7679 13.1663 13.1698 13.2601 13.2602 13.3138 13.3154 13.3442 13.3444 13.3884 13.3905 13.4730 13.4765 k = 0.0000 0.0000 0.5710 ( 4794 PWs) bands (ev): -9.0659 -9.0658 -7.8887 -7.8871 -7.8786 -7.8769 -7.1898 -7.1880 -7.1752 -7.1735 -6.5619 -6.5616 -5.0645 -5.0645 -4.5111 -4.5110 0.4162 0.4166 0.5722 0.5732 0.6254 0.6259 1.4730 1.4732 1.6210 1.6218 2.1468 2.1472 2.6924 2.6935 2.9159 2.9167 2.9370 2.9372 3.4531 3.4577 3.5400 3.5446 3.8690 3.8694 4.3689 4.3699 4.4601 4.4619 4.5747 4.5750 5.3314 5.3315 5.6407 5.6446 5.7464 5.7500 6.1872 6.1878 7.8434 7.8546 7.8577 7.8693 8.1176 8.1177 8.7586 8.7596 8.7680 8.7693 13.0392 13.0428 13.1684 13.1709 13.2618 13.2639 13.3320 13.3355 13.3919 13.3919 13.4721 13.4724 k = 0.0000 0.0000 0.5947 ( 4812 PWs) bands (ev): -9.0173 -9.0172 -7.8494 -7.8479 -7.8389 -7.8371 -7.1591 -7.1573 -7.1437 -7.1421 -6.5403 -6.5400 -5.0357 -5.0356 -4.4772 -4.4771 0.3878 0.3881 0.5517 0.5526 0.5875 0.5881 1.4163 1.4164 1.5720 1.5725 2.1011 2.1015 2.6401 2.6410 2.7959 2.7962 2.8688 2.8698 3.4034 3.4083 3.5039 3.5088 3.8521 3.8527 4.4110 4.4120 4.5000 4.5018 4.5319 4.5323 5.1971 5.1972 5.6727 5.6765 5.7729 5.7765 6.1329 6.1336 7.8276 7.8386 7.8444 7.8560 8.1058 8.1059 8.7617 8.7627 8.7683 8.7696 12.9104 12.9140 13.0209 13.0238 13.1329 13.1351 13.1885 13.1923 13.5217 13.5218 13.5946 13.5949 k = 0.0000 0.0000 0.6185 ( 4812 PWs) bands (ev): -8.9670 -8.9669 -7.8091 -7.8075 -7.7979 -7.7962 -7.1279 -7.1261 -7.1117 -7.1101 -6.5195 -6.5192 -5.0056 -5.0056 -4.4426 -4.4425 0.3552 0.3555 0.5263 0.5271 0.5432 0.5437 1.3538 1.3541 1.5164 1.5165 2.0648 2.0653 2.5939 2.5946 2.6540 2.6543 2.8274 2.8285 3.3611 3.3662 3.4741 3.4791 3.8252 3.8260 4.4551 4.4562 4.4971 4.4977 4.5422 4.5439 5.0649 5.0651 5.7050 5.7088 5.7995 5.8031 6.0830 6.0837 7.8117 7.8226 7.8311 7.8425 8.0921 8.0922 8.7638 8.7647 8.7675 8.7687 12.7807 12.7844 12.8725 12.8758 13.0024 13.0049 13.0438 13.0477 13.6495 13.6496 13.7113 13.7116 k = 0.0000 0.0000 0.6423 ( 4824 PWs) bands (ev): -8.9150 -8.9149 -7.7677 -7.7662 -7.7559 -7.7542 -7.0963 -7.0946 -7.0793 -7.0778 -6.4998 -6.4994 -4.9744 -4.9743 -4.4073 -4.4072 0.3185 0.3186 0.4928 0.4934 0.4959 0.4966 1.2859 1.2865 1.4541 1.4543 2.0377 2.0382 2.5117 2.5120 2.5541 2.5547 2.7920 2.7932 3.3260 3.3313 3.4501 3.4553 3.7874 3.7883 4.4711 4.4718 4.5010 4.5021 4.5865 4.5882 4.9352 4.9354 5.7375 5.7411 5.8261 5.8297 6.0375 6.0382 7.7957 7.8065 7.8175 7.8289 8.0763 8.0764 8.7648 8.7654 8.7657 8.7666 12.6505 12.6542 12.7240 12.7275 12.8711 12.8738 12.8991 12.9029 13.7753 13.7754 13.8220 13.8223 k = 0.0000 0.0000 0.6661 ( 4830 PWs) bands (ev): -8.8614 -8.8613 -7.7253 -7.7238 -7.7129 -7.7112 -7.0644 -7.0627 -7.0466 -7.0451 -6.4812 -6.4809 -4.9420 -4.9419 -4.3715 -4.3714 0.2776 0.2776 0.4373 0.4378 0.4606 0.4611 1.2132 1.2140 1.3858 1.3862 2.0192 2.0196 2.3696 2.3699 2.5213 2.5217 2.7628 2.7641 3.2976 3.3030 3.4318 3.4371 3.7390 3.7401 4.4534 4.4543 4.5486 4.5498 4.6327 4.6345 4.8083 4.8085 5.7700 5.7736 5.8525 5.8560 5.9965 5.9973 7.7801 7.7907 7.8042 7.8154 8.0583 8.0584 8.7621 8.7632 8.7648 8.7655 12.5202 12.5241 12.5761 12.5799 12.7391 12.7426 12.7553 12.7586 13.8988 13.8989 13.9265 13.9267 k = 0.0000 0.0000 0.6899 ( 4824 PWs) bands (ev): -8.8063 -8.8062 -7.6820 -7.6805 -7.6690 -7.6673 -7.0323 -7.0306 -7.0136 -7.0122 -6.4641 -6.4638 -4.9083 -4.9082 -4.3354 -4.3352 0.2329 0.2329 0.3774 0.3780 0.4204 0.4208 1.1363 1.1372 1.3122 1.3128 2.0084 2.0088 2.2279 2.2282 2.4955 2.4957 2.7399 2.7413 3.2755 3.2810 3.4186 3.4239 3.6813 3.6823 4.4427 4.4436 4.5977 4.5989 4.6804 4.6826 4.6847 4.6849 5.8024 5.8059 5.8785 5.8821 5.9603 5.9611 7.7650 7.7753 7.7911 7.8022 8.0382 8.0383 8.7574 8.7585 8.7636 8.7642 12.3902 12.3944 12.4295 12.4333 12.6052 12.6117 12.6148 12.6154 14.0198 14.0200 14.0248 14.0250 k = 0.0000 0.0000 0.7137 ( 4836 PWs) bands (ev): -8.7496 -8.7495 -7.6378 -7.6364 -7.6242 -7.6225 -7.0001 -6.9984 -6.9806 -6.9792 -6.4488 -6.4485 -4.8734 -4.8733 -4.2989 -4.2988 0.1846 0.1847 0.3144 0.3149 0.3757 0.3760 1.0556 1.0567 1.2339 1.2347 2.0045 2.0049 2.0871 2.0875 2.4766 2.4767 2.7232 2.7247 3.2590 3.2646 3.4099 3.4153 3.6158 3.6169 4.4371 4.4380 4.5640 4.5642 4.6482 4.6495 4.7305 4.7323 5.8345 5.8380 5.9039 5.9075 5.9291 5.9299 7.7505 7.7606 7.7784 7.7894 8.0157 8.0158 8.7513 8.7523 8.7610 8.7616 12.2607 12.2655 12.2847 12.2883 12.4668 12.4738 12.4812 12.4815 14.1167 14.1169 14.1385 14.1386 k = 0.0000 0.0000 0.7375 ( 4842 PWs) bands (ev): -8.6915 -8.6914 -7.5930 -7.5916 -7.5787 -7.5770 -6.9680 -6.9664 -6.9477 -6.9463 -6.4355 -6.4351 -4.8373 -4.8371 -4.2623 -4.2622 0.1332 0.1334 0.2492 0.2497 0.3269 0.3271 0.9719 0.9731 1.1517 1.1526 1.9475 1.9478 2.0064 2.0068 2.4645 2.4646 2.7126 2.7141 3.2475 3.2531 3.4054 3.4107 3.5444 3.5456 4.4346 4.4355 4.4473 4.4476 4.7000 4.7013 4.7816 4.7835 5.8662 5.8696 5.9030 5.9037 5.9289 5.9322 7.7369 7.7468 7.7663 7.7771 7.9909 7.9910 8.7437 8.7446 8.7573 8.7577 12.1309 12.1376 12.1433 12.1452 12.3279 12.3343 12.3513 12.3525 14.2025 14.2027 14.2545 14.2547 k = 0.0000 0.0000 0.7613 ( 4842 PWs) bands (ev): -8.6319 -8.6318 -7.5475 -7.5461 -7.5325 -7.5309 -6.9362 -6.9345 -6.9149 -6.9136 -6.4244 -6.4240 -4.7999 -4.7997 -4.2257 -4.2256 0.0793 0.0795 0.1830 0.1835 0.2747 0.2748 0.8857 0.8871 1.0664 1.0675 1.8093 1.8097 2.0132 2.0136 2.4589 2.4590 2.7077 2.7093 3.2402 3.2458 3.4043 3.4095 3.4689 3.4701 4.3348 4.3351 4.4334 4.4343 4.7528 4.7542 4.8342 4.8361 5.8823 5.8832 5.8977 5.9007 5.9526 5.9560 7.7244 7.7341 7.7551 7.7658 7.9637 7.9639 8.7345 8.7353 8.7520 8.7523 11.9965 12.0046 12.0104 12.0113 12.1910 12.1973 12.2233 12.2249 14.2824 14.2825 14.3678 14.3681 k = 0.0000 0.0000 0.7851 ( 4830 PWs) bands (ev): -8.5710 -8.5709 -7.5014 -7.5001 -7.4857 -7.4841 -6.9046 -6.9031 -6.8825 -6.8812 -6.4158 -6.4154 -4.7612 -4.7611 -4.1892 -4.1891 0.0233 0.0235 0.1166 0.1171 0.2197 0.2198 0.7978 0.7992 0.9789 0.9800 1.6729 1.6732 2.0239 2.0242 2.4592 2.4595 2.7084 2.7100 3.2364 3.2419 3.3905 3.3911 3.4061 3.4119 4.2269 4.2271 4.4318 4.4328 4.8067 4.8082 4.8880 4.8899 5.8676 5.8685 5.9280 5.9311 5.9751 5.9786 7.7134 7.7229 7.7449 7.7554 7.9342 7.9343 8.7237 8.7244 8.7452 8.7454 11.8597 11.8666 11.8843 11.8867 12.0568 12.0630 12.0973 12.0991 14.3566 14.3567 14.4784 14.4786 k = 0.0000 0.0000 0.8089 ( 4830 PWs) bands (ev): -8.5088 -8.5087 -7.4550 -7.4537 -7.4386 -7.4370 -6.8737 -6.8721 -6.8506 -6.8494 -6.4099 -6.4095 -4.7213 -4.7212 -4.1531 -4.1530 -0.0342 -0.0339 0.0510 0.0514 0.1626 0.1626 0.7087 0.7102 0.8897 0.8908 1.5384 1.5388 2.0375 2.0379 2.4652 2.4655 2.7141 2.7158 3.2355 3.2408 3.3104 3.3113 3.4102 3.4156 4.1239 4.1242 4.4288 4.4297 4.8615 4.8630 4.9429 4.9448 5.8589 5.8597 5.9575 5.9605 5.9963 5.9997 7.7040 7.7132 7.7360 7.7464 7.9021 7.9023 8.7112 8.7119 8.7368 8.7369 11.7250 11.7317 11.7613 11.7642 11.9257 11.9319 11.9735 11.9755 14.4254 14.4255 14.5858 14.5861 k = 0.0000 0.0000 0.8326 ( 4824 PWs) bands (ev): -8.4454 -8.4453 -7.4082 -7.4070 -7.3910 -7.3895 -6.8433 -6.8418 -6.8194 -6.8182 -6.4070 -6.4066 -4.6803 -4.6801 -4.1175 -4.1174 -0.0925 -0.0923 -0.0131 -0.0127 0.1040 0.1041 0.6189 0.6204 0.7995 0.8008 1.4062 1.4066 2.0533 2.0536 2.4762 2.4766 2.7245 2.7262 3.2289 3.2305 3.2366 3.2425 3.4162 3.4213 4.0264 4.0267 4.4233 4.4242 4.9170 4.9185 4.9987 5.0006 5.8563 5.8571 5.9858 5.9888 6.0159 6.0193 7.6966 7.7056 7.7286 7.7388 7.8676 7.8678 8.6971 8.6976 8.7267 8.7269 11.5935 11.6003 11.6408 11.6440 11.7980 11.8043 11.8521 11.8543 14.4892 14.4893 14.6901 14.6904 k = 0.0000 0.0000 0.8564 ( 4824 PWs) bands (ev): -8.3809 -8.3807 -7.3613 -7.3601 -7.3433 -7.3418 -6.8139 -6.8124 -6.7891 -6.7880 -6.4073 -6.4069 -4.6381 -4.6379 -4.0826 -4.0825 -0.1511 -0.1508 -0.0750 -0.0746 0.0448 0.0450 0.5291 0.5306 0.7091 0.7104 1.2765 1.2769 2.0702 2.0705 2.4918 2.4922 2.7392 2.7409 3.1485 3.1496 3.2393 3.2445 3.4233 3.4284 3.9349 3.9353 4.4146 4.4154 4.9730 4.9746 5.0552 5.0572 5.8601 5.8609 6.0128 6.0157 6.0337 6.0371 7.6914 7.7000 7.7231 7.7331 7.8306 7.8308 8.6811 8.6815 8.7147 8.7152 11.4656 11.4725 11.5230 11.5265 11.6740 11.6805 11.7336 11.7359 14.5484 14.5485 14.7908 14.7912 k = 0.0000 0.0000 0.8802 ( 4836 PWs) bands (ev): -8.3153 -8.3151 -7.3143 -7.3131 -7.2955 -7.2940 -6.7855 -6.7841 -6.7598 -6.7587 -6.4109 -6.4105 -4.5948 -4.5947 -4.0487 -4.0486 -0.2093 -0.2091 -0.1342 -0.1339 -0.0143 -0.0142 0.4396 0.4411 0.6189 0.6202 1.1495 1.1499 2.0877 2.0879 2.5113 2.5117 2.7577 2.7594 3.0683 3.0694 3.2429 3.2480 3.4313 3.4361 3.8500 3.8503 4.4022 4.4029 5.0295 5.0312 5.1124 5.1144 5.8701 5.8709 6.0381 6.0410 6.0495 6.0529 7.6886 7.6969 7.7195 7.7293 7.7912 7.7914 8.6634 8.6637 8.7009 8.7016 11.3417 11.3487 11.4081 11.4118 11.5542 11.5607 11.6180 11.6206 14.6034 14.6035 14.8877 14.8882 k = 0.0000 0.0000 0.9040 ( 4818 PWs) bands (ev): -8.2487 -8.2485 -7.2673 -7.2662 -7.2478 -7.2463 -6.7583 -6.7569 -6.7318 -6.7307 -6.4180 -6.4176 -4.5506 -4.5505 -4.0158 -4.0157 -0.2667 -0.2665 -0.1901 -0.1898 -0.0728 -0.0726 0.3509 0.3525 0.5295 0.5308 1.0256 1.0259 2.1048 2.1050 2.5344 2.5348 2.7797 2.7813 2.9894 2.9904 3.2471 3.2520 3.4396 3.4442 3.7723 3.7726 4.3858 4.3865 5.0862 5.0880 5.1701 5.1721 5.8865 5.8872 6.0617 6.0632 6.0645 6.0666 7.6884 7.6964 7.7182 7.7278 7.7494 7.7496 8.6439 8.6440 8.6853 8.6862 11.2222 11.2294 11.2965 11.3004 11.4387 11.4453 11.5060 11.5086 14.6549 14.6550 14.9804 14.9809 k = 0.0000 0.0000 0.9278 ( 4818 PWs) bands (ev): -8.1812 -8.1810 -7.2206 -7.2195 -7.2003 -7.1989 -6.7325 -6.7312 -6.7051 -6.7042 -6.4288 -6.4284 -4.5056 -4.5054 -3.9844 -3.9843 -0.3225 -0.3223 -0.2424 -0.2421 -0.1298 -0.1296 0.2636 0.2651 0.4415 0.4427 0.9048 0.9052 2.1208 2.1210 2.5604 2.5609 2.8047 2.8063 2.9121 2.9131 3.2513 3.2559 3.4477 3.4522 3.7024 3.7028 4.3653 4.3660 5.1430 5.1449 5.2280 5.2301 5.9088 5.9095 6.0746 6.0780 6.0833 6.0860 7.6910 7.6987 7.7052 7.7054 7.7194 7.7288 8.6225 8.6225 8.6676 8.6688 11.1075 11.1148 11.1884 11.1925 11.3280 11.3346 11.3975 11.4004 14.7032 14.7033 15.0684 15.0690 k = 0.0000 0.0000 0.9516 ( 4824 PWs) bands (ev): -8.1129 -8.1127 -7.1743 -7.1733 -7.1531 -7.1517 -6.7083 -6.7070 -6.6801 -6.6792 -6.4433 -6.4429 -4.4598 -4.4596 -3.9545 -3.9544 -0.3764 -0.3762 -0.2906 -0.2904 -0.1850 -0.1848 0.1779 0.1794 0.3551 0.3563 0.7875 0.7878 2.1351 2.1352 2.5891 2.5896 2.8323 2.8339 2.8368 2.8378 3.2550 3.2594 3.4552 3.4595 3.6409 3.6413 4.3409 4.3415 5.1997 5.2016 5.2861 5.2882 5.9367 5.9374 6.0835 6.0869 6.1025 6.1052 7.6587 7.6589 7.6965 7.7039 7.7233 7.7325 8.5992 8.5994 8.6479 8.6493 10.9978 11.0053 11.0841 11.0884 11.2222 11.2288 11.2931 11.2961 14.7489 14.7490 15.1510 15.1517 k = 0.0000 0.0000 0.9754 ( 4824 PWs) bands (ev): -8.0439 -8.0437 -7.1285 -7.1275 -7.1065 -7.1052 -6.6858 -6.6846 -6.6569 -6.6560 -6.4616 -6.4612 -4.4135 -4.4133 -3.9265 -3.9264 -0.4277 -0.4276 -0.3346 -0.3344 -0.2376 -0.2374 0.0943 0.0958 0.2708 0.2720 0.6739 0.6743 2.1470 2.1471 2.6200 2.6205 2.7641 2.7651 2.8622 2.8637 3.2579 3.2621 3.4619 3.4659 3.5884 3.5888 4.3127 4.3133 5.2562 5.2582 5.3440 5.3462 5.9699 5.9706 6.0899 6.0933 6.1193 6.1219 7.6099 7.6101 7.7050 7.7121 7.7301 7.7391 8.5741 8.5744 8.6261 8.6278 10.8936 10.9013 10.9838 10.9884 11.1217 11.1284 11.1929 11.1961 14.7925 14.7925 15.2275 15.2283 k = 0.0000 0.0000 0.9992 ( 4824 PWs) bands (ev): -7.9743 -7.9742 -7.0834 -7.0825 -7.0605 -7.0593 -6.6654 -6.6642 -6.6357 -6.6349 -6.4837 -6.4833 -4.3669 -4.3667 -3.9006 -3.9005 -0.4760 -0.4760 -0.3739 -0.3737 -0.2873 -0.2871 0.0132 0.0147 0.1891 0.1903 0.5643 0.5647 2.1561 2.1562 2.6527 2.6531 2.6943 2.6952 2.8939 2.8953 3.2597 3.2637 3.4672 3.4710 3.5454 3.5457 4.2810 4.2815 5.3121 5.3142 5.4016 5.4038 6.0080 6.0086 6.0938 6.0972 6.1335 6.1360 7.5590 7.5592 7.7166 7.7233 7.7399 7.7487 8.5473 8.5477 8.6021 8.6042 10.7952 10.8031 10.8880 10.8928 11.0267 11.0335 11.0974 11.1008 14.8343 14.8344 15.2968 15.2977 k = 0.0000 0.0000 1.0230 ( 4836 PWs) bands (ev): -7.9043 -7.9041 -7.0392 -7.0384 -7.0155 -7.0143 -6.6470 -6.6460 -6.6167 -6.6160 -6.5096 -6.5092 -4.3202 -4.3200 -3.8771 -3.8770 -0.5209 -0.5209 -0.4084 -0.4083 -0.3335 -0.3333 -0.0651 -0.0637 0.1102 0.1114 0.4590 0.4593 2.1621 2.1622 2.6277 2.6286 2.6867 2.6871 2.9271 2.9285 3.2600 3.2637 3.4710 3.4746 3.5120 3.5123 4.2461 4.2466 5.3674 5.3696 5.4588 5.4610 6.0505 6.0511 6.0951 6.0984 6.1447 6.1472 7.5060 7.5062 7.7311 7.7376 7.7529 7.7614 8.5186 8.5193 8.5760 8.5783 10.7030 10.7110 10.7969 10.8019 10.9377 10.9445 11.0068 11.0104 14.8748 14.8748 15.3579 15.3589 k = 0.0000 0.0000 1.0468 ( 4824 PWs) bands (ev): -7.8339 -7.8337 -6.9961 -6.9953 -6.9715 -6.9703 -6.6311 -6.6300 -6.6001 -6.5994 -6.5392 -6.5389 -4.2736 -4.2734 -3.8562 -3.8562 -0.5621 -0.5620 -0.4379 -0.4379 -0.3757 -0.3756 -0.1403 -0.1389 0.0346 0.0358 0.3581 0.3584 2.1650 2.1650 2.5645 2.5654 2.7219 2.7223 2.9616 2.9629 3.2586 3.2622 3.4730 3.4762 3.4884 3.4887 4.2084 4.2088 5.4219 5.4241 5.5152 5.5174 6.0929 6.0970 6.0971 6.0983 6.1530 6.1555 7.4511 7.4513 7.7487 7.7548 7.7690 7.7773 8.4884 8.4892 8.5477 8.5503 10.6173 10.6255 10.7109 10.7161 10.8548 10.8616 10.9216 10.9253 14.9145 14.9145 15.4093 15.4104 k = 0.0000 0.0000 1.0705 ( 4824 PWs) bands (ev): -7.7633 -7.7631 -6.9542 -6.9535 -6.9287 -6.9276 -6.6176 -6.6166 -6.5866 -6.5854 -6.5722 -6.5721 -4.2275 -4.2273 -3.8383 -3.8382 -0.5990 -0.5989 -0.4623 -0.4623 -0.4138 -0.4137 -0.2121 -0.2107 -0.0374 -0.0363 0.2619 0.2622 2.1649 2.1650 2.5051 2.5060 2.7578 2.7581 2.9969 2.9981 3.2554 3.2586 3.4728 3.4745 3.4747 3.4758 4.1682 4.1686 5.4753 5.4776 5.5706 5.5729 6.0897 6.0932 6.1467 6.1476 6.1584 6.1606 7.3943 7.3945 7.7691 7.7748 7.7883 7.7964 8.4567 8.4577 8.5172 8.5201 10.5386 10.5468 10.6302 10.6356 10.7784 10.7852 10.8419 10.8458 14.9535 14.9535 15.4495 15.4511 k = 0.0000 0.0000 1.0943 ( 4836 PWs) bands (ev): -7.6926 -7.6924 -6.9137 -6.9130 -6.8874 -6.8864 -6.6115 -6.6102 -6.6058 -6.6046 -6.5742 -6.5741 -4.1821 -4.1819 -3.8234 -3.8234 -0.6313 -0.6312 -0.4814 -0.4814 -0.4472 -0.4471 -0.2801 -0.2787 -0.1056 -0.1046 0.1706 0.1709 2.1623 2.1624 2.4497 2.4505 2.7941 2.7943 3.0327 3.0338 3.2499 3.2530 3.4697 3.4699 3.4703 3.4730 4.1259 4.1263 5.5273 5.5297 5.6248 5.6271 6.0832 6.0866 6.1598 6.1624 6.2002 6.2006 7.3358 7.3361 7.7921 7.7976 7.8108 7.8186 8.4235 8.4246 8.4846 8.4879 10.4671 10.4754 10.5551 10.5609 10.7087 10.7155 10.7682 10.7723 14.9921 14.9922 15.4660 15.4799 k = 0.0000 0.0000 1.1181 ( 4812 PWs) bands (ev): -7.6220 -7.6218 -6.8749 -6.8742 -6.8477 -6.8467 -6.6505 -6.6503 -6.5983 -6.5977 -6.5658 -6.5656 -4.1377 -4.1376 -3.8120 -3.8120 -0.6588 -0.6586 -0.4951 -0.4951 -0.4757 -0.4756 -0.3440 -0.3427 -0.1697 -0.1687 0.0845 0.0849 2.1580 2.1582 2.3986 2.3994 2.8306 2.8308 3.0688 3.0698 3.2423 3.2451 3.4653 3.4678 3.4735 3.4737 4.0820 4.0823 5.5779 5.5804 5.6776 5.6800 6.0741 6.0775 6.1584 6.1609 6.2559 6.2564 7.2758 7.2761 7.8177 7.8229 7.8364 7.8439 8.3890 8.3903 8.4500 8.4536 10.4031 10.4116 10.4862 10.4921 10.6460 10.6527 10.7007 10.7051 15.0307 15.0308 15.4645 15.4915 k = 0.0000 0.0000 1.1419 ( 4824 PWs) bands (ev): -7.5516 -7.5514 -6.8378 -6.8372 -6.8099 -6.8089 -6.6944 -6.6941 -6.5931 -6.5926 -6.5603 -6.5602 -4.0947 -4.0946 -3.8042 -3.8042 -0.6812 -0.6809 -0.5034 -0.5033 -0.4990 -0.4988 -0.4036 -0.4024 -0.2293 -0.2284 0.0038 0.0042 2.1526 2.1528 2.3518 2.3526 2.8670 2.8670 3.1048 3.1057 3.2323 3.2349 3.4578 3.4600 3.4850 3.4852 4.0366 4.0369 5.6268 5.6294 5.7287 5.7311 6.0625 6.0659 6.1534 6.1559 6.3140 6.3145 7.2144 7.2147 7.8456 7.8505 7.8648 7.8721 8.3533 8.3549 8.4135 8.4174 10.3470 10.3555 10.4235 10.4297 10.5905 10.5972 10.6398 10.6444 15.0692 15.0693 15.4649 15.4740 k = 0.0000 0.0000 1.1657 ( 4824 PWs) bands (ev): -7.4816 -7.4814 -6.8027 -6.8022 -6.7740 -6.7732 -6.7415 -6.7411 -6.5910 -6.5905 -6.5579 -6.5578 -4.0535 -4.0534 -3.8002 -3.8002 -0.6983 -0.6979 -0.5171 -0.5169 -0.5058 -0.5056 -0.4587 -0.4575 -0.2843 -0.2834 -0.0714 -0.0710 2.1471 2.1474 2.3096 2.3104 2.9028 2.9029 3.1405 3.1412 3.2199 3.2222 3.4476 3.4495 3.5034 3.5036 3.9903 3.9905 5.6739 5.6765 5.7778 5.7802 6.0482 6.0516 6.1449 6.1474 6.3742 6.3746 7.1518 7.1521 7.8757 7.8802 7.8960 7.9031 8.3167 8.3184 8.3753 8.3795 10.2989 10.3074 10.3675 10.3739 10.5425 10.5491 10.5858 10.5906 15.1078 15.1080 15.4678 15.4949 k = 0.0000 0.0000 1.1895 ( 4812 PWs) bands (ev): -7.4122 -7.4119 -6.7916 -6.7912 -6.7698 -6.7694 -6.7404 -6.7396 -6.5919 -6.5915 -6.5586 -6.5586 -4.0143 -4.0142 -3.8001 -3.8001 -0.7098 -0.7093 -0.5294 -0.5292 -0.5089 -0.5078 -0.5026 -0.5024 -0.3343 -0.3335 -0.1408 -0.1404 2.1424 2.1427 2.2721 2.2728 2.9380 2.9382 3.1755 3.1760 3.2051 3.2072 3.4347 3.4364 3.5278 3.5280 3.9433 3.9435 5.7188 5.7215 5.8248 5.8273 6.0314 6.0347 6.1329 6.1354 6.4360 6.4364 7.0881 7.0884 7.9076 7.9118 7.9297 7.9366 8.2793 8.2812 8.3356 8.3401 10.2591 10.2676 10.3184 10.3251 10.5021 10.5086 10.5390 10.5439 15.1466 15.1468 15.4731 15.4831 k = 0.0000 0.0000 1.2133 ( 4812 PWs) bands (ev): -7.3435 -7.3432 -6.8444 -6.8441 -6.7392 -6.7389 -6.7092 -6.7084 -6.5959 -6.5956 -6.5627 -6.5626 -3.9776 -3.9774 -3.8041 -3.8041 -0.7156 -0.7151 -0.5541 -0.5530 -0.5361 -0.5358 -0.4936 -0.4934 -0.3792 -0.3785 -0.2043 -0.2039 2.1392 2.1396 2.2394 2.2401 2.9722 2.9726 3.1878 3.1896 3.2096 3.2100 3.4191 3.4205 3.5573 3.5574 3.8961 3.8962 5.7615 5.7643 5.8694 5.8718 6.0120 6.0153 6.1172 6.1197 6.4991 6.4995 7.0235 7.0238 7.9411 7.9451 7.9657 7.9723 8.2412 8.2433 8.2947 8.2994 10.2276 10.2360 10.2765 10.2835 10.4695 10.4760 10.4996 10.5047 15.1855 15.1856 15.4622 15.4630 k = 0.0000 0.0000 1.2371 ( 4818 PWs) bands (ev): -7.2757 -7.2755 -6.9000 -6.8996 -6.7112 -6.7109 -6.6805 -6.6798 -6.6031 -6.6028 -6.5700 -6.5698 -3.9435 -3.9434 -3.8122 -3.8122 -0.7157 -0.7151 -0.5941 -0.5931 -0.5369 -0.5366 -0.4787 -0.4785 -0.4188 -0.4181 -0.2618 -0.2615 2.1384 2.1388 2.2114 2.2121 3.0053 3.0058 3.1681 3.1697 3.2425 3.2427 3.4008 3.4020 3.5912 3.5913 3.8489 3.8490 5.8019 5.8047 5.9113 5.9138 5.9899 5.9932 6.0980 6.1005 6.5634 6.5637 6.9582 6.9585 7.9761 7.9798 8.0035 8.0099 8.2028 8.2051 8.2529 8.2579 10.2046 10.2129 10.2421 10.2494 10.4449 10.4513 10.4677 10.4731 15.2242 15.2244 15.4362 15.4368 k = 0.0000 0.0000 1.2609 ( 4818 PWs) bands (ev): -7.2091 -7.2088 -6.9578 -6.9575 -6.6858 -6.6856 -6.6545 -6.6540 -6.6134 -6.6133 -6.5806 -6.5803 -3.9126 -3.9125 -3.8244 -3.8244 -0.7099 -0.7093 -0.6286 -0.6276 -0.5319 -0.5315 -0.4578 -0.4576 -0.4529 -0.4523 -0.3133 -0.3130 2.1405 2.1410 2.1883 2.1889 3.0370 3.0376 3.1460 3.1475 3.2739 3.2740 3.3800 3.3809 3.6287 3.6288 3.8022 3.8023 5.8398 5.8427 5.9504 5.9529 5.9652 5.9684 6.0753 6.0778 6.6285 6.6288 6.8924 6.8928 8.0123 8.0157 8.0432 8.0493 8.1642 8.1667 8.2106 8.2159 10.1900 10.1983 10.2155 10.2230 10.4284 10.4346 10.4438 10.4493 15.2626 15.2629 15.4060 15.4065 k = 0.0000 0.0000 1.2847 ( 4824 PWs) bands (ev): -7.1437 -7.1435 -7.0179 -7.0176 -6.6632 -6.6631 -6.6315 -6.6310 -6.6269 -6.6268 -6.5944 -6.5940 -3.8850 -3.8849 -3.8407 -3.8406 -0.6983 -0.6976 -0.6576 -0.6567 -0.5209 -0.5205 -0.4814 -0.4808 -0.4309 -0.4306 -0.3586 -0.3583 2.1462 2.1467 2.1698 2.1704 3.0671 3.0679 3.1217 3.1230 3.3035 3.3037 3.3567 3.3574 3.6691 3.6691 3.7563 3.7564 5.8751 5.8781 5.9379 5.9410 5.9865 5.9890 6.0491 6.0516 6.6942 6.6945 6.8264 6.8267 8.0494 8.0526 8.0840 8.0899 8.1256 8.1283 8.1681 8.1736 10.1839 10.1920 10.1968 10.2045 10.4200 10.4261 10.4278 10.4335 15.3005 15.3007 15.3728 15.3732 k = 0.0000 0.0000 1.3084 ( 4836 PWs) bands (ev): -7.0800 -7.0800 -7.0797 -7.0797 -6.6435 -6.6435 -6.6435 -6.6435 -6.6114 -6.6114 -6.6109 -6.6109 -3.8609 -3.8609 -3.8608 -3.8608 -0.6808 -0.6808 -0.6800 -0.6800 -0.5041 -0.5041 -0.5036 -0.5036 -0.3978 -0.3978 -0.3976 -0.3976 2.1558 2.1558 2.1564 2.1564 3.0954 3.0954 3.0964 3.0964 3.3312 3.3312 3.3316 3.3316 3.7118 3.7118 3.7119 3.7119 5.9078 5.9078 5.9108 5.9108 6.0194 6.0194 6.0219 6.0219 6.7602 6.7602 6.7605 6.7605 8.0872 8.0872 8.0902 8.0902 8.1258 8.1258 8.1314 8.1314 10.1862 10.1862 10.1941 10.1941 10.4198 10.4198 10.4257 10.4257 15.3373 15.3373 15.3377 15.3377 k = 0.0000 0.0000 1.3084 ( 4836 PWs) bands (ev): -7.0800 -7.0800 -7.0797 -7.0797 -6.6435 -6.6435 -6.6435 -6.6435 -6.6114 -6.6114 -6.6109 -6.6109 -3.8609 -3.8609 -3.8608 -3.8608 -0.6808 -0.6808 -0.6800 -0.6800 -0.5041 -0.5041 -0.5036 -0.5036 -0.3978 -0.3978 -0.3976 -0.3976 2.1558 2.1558 2.1564 2.1564 3.0954 3.0954 3.0964 3.0964 3.3312 3.3312 3.3316 3.3316 3.7118 3.7118 3.7119 3.7119 5.9078 5.9078 5.9108 5.9108 6.0194 6.0194 6.0219 6.0219 6.7602 6.7602 6.7605 6.7605 8.0872 8.0872 8.0902 8.0902 8.1258 8.1258 8.1314 8.1314 10.1862 10.1862 10.1941 10.1941 10.4198 10.4198 10.4257 10.4257 15.3373 15.3373 15.3377 15.3377 k = 0.0208 0.0120 1.3084 ( 4836 PWs) bands (ev): -7.0796 -7.0796 -7.0793 -7.0793 -6.6438 -6.6438 -6.6437 -6.6437 -6.6117 -6.6117 -6.6112 -6.6112 -3.8610 -3.8610 -3.8609 -3.8609 -0.6844 -0.6844 -0.6836 -0.6836 -0.5084 -0.5084 -0.5079 -0.5079 -0.3878 -0.3878 -0.3875 -0.3875 2.1550 2.1550 2.1556 2.1556 3.0939 3.0939 3.0950 3.0950 3.3283 3.3283 3.3292 3.3292 3.7125 3.7125 3.7128 3.7128 5.9087 5.9087 5.9117 5.9117 6.0199 6.0199 6.0224 6.0224 6.7584 6.7584 6.7587 6.7587 8.0882 8.0882 8.0912 8.0912 8.1267 8.1267 8.1324 8.1324 10.1893 10.1893 10.1971 10.1971 10.4224 10.4224 10.4283 10.4283 15.3338 15.3338 15.3341 15.3341 k = 0.0417 0.0241 1.3084 ( 4840 PWs) bands (ev): -7.0784 -7.0784 -7.0782 -7.0782 -6.6445 -6.6445 -6.6442 -6.6442 -6.6125 -6.6125 -6.6120 -6.6120 -3.8611 -3.8611 -3.8610 -3.8610 -0.6951 -0.6951 -0.6943 -0.6943 -0.5163 -0.5163 -0.5157 -0.5157 -0.3629 -0.3629 -0.3627 -0.3627 2.1524 2.1524 2.1530 2.1530 3.0895 3.0895 3.0909 3.0909 3.3204 3.3204 3.3220 3.3220 3.7146 3.7146 3.7152 3.7152 5.9111 5.9111 5.9142 5.9142 6.0214 6.0214 6.0239 6.0239 6.7529 6.7529 6.7533 6.7533 8.0909 8.0909 8.0939 8.0939 8.1299 8.1299 8.1355 8.1355 10.1982 10.1982 10.2060 10.2060 10.4303 10.4303 10.4362 10.4362 15.3230 15.3230 15.3232 15.3232 k = 0.0625 0.0361 1.3084 ( 4840 PWs) bands (ev): -7.0765 -7.0765 -7.0763 -7.0763 -6.6457 -6.6457 -6.6452 -6.6452 -6.6139 -6.6139 -6.6133 -6.6133 -3.8613 -3.8613 -3.8612 -3.8612 -0.7127 -0.7127 -0.7118 -0.7118 -0.5208 -0.5208 -0.5203 -0.5203 -0.3303 -0.3303 -0.3300 -0.3300 2.1482 2.1482 2.1488 2.1488 3.0819 3.0819 3.0835 3.0835 3.3085 3.3085 3.3107 3.3107 3.7178 3.7178 3.7185 3.7185 5.9148 5.9148 5.9179 5.9179 6.0241 6.0241 6.0266 6.0266 6.7442 6.7442 6.7445 6.7445 8.0947 8.0947 8.0975 8.0975 8.1359 8.1359 8.1413 8.1413 10.2126 10.2126 10.2204 10.2204 10.4437 10.4437 10.4495 10.4495 15.3047 15.3047 15.3050 15.3050 k = 0.0833 0.0481 1.3084 ( 4830 PWs) bands (ev): -7.0739 -7.0739 -7.0736 -7.0736 -6.6473 -6.6473 -6.6467 -6.6467 -6.6158 -6.6158 -6.6150 -6.6150 -3.8615 -3.8615 -3.8614 -3.8614 -0.7359 -0.7359 -0.7351 -0.7351 -0.5197 -0.5197 -0.5192 -0.5192 -0.2936 -0.2936 -0.2934 -0.2934 2.1424 2.1424 2.1430 2.1430 3.0707 3.0707 3.0726 3.0726 3.2940 3.2940 3.2968 3.2968 3.7214 3.7214 3.7224 3.7224 5.9193 5.9193 5.9223 5.9223 6.0284 6.0284 6.0309 6.0309 6.7325 6.7325 6.7328 6.7328 8.0986 8.0986 8.1012 8.1012 8.1456 8.1456 8.1505 8.1505 10.2317 10.2317 10.2394 10.2394 10.4629 10.4629 10.4686 10.4686 15.2787 15.2787 15.2792 15.2792 k = 0.1042 0.0601 1.3084 ( 4828 PWs) bands (ev): -7.0705 -7.0705 -7.0703 -7.0703 -6.6493 -6.6493 -6.6486 -6.6486 -6.6181 -6.6181 -6.6173 -6.6173 -3.8618 -3.8618 -3.8617 -3.8617 -0.7630 -0.7630 -0.7623 -0.7623 -0.5129 -0.5129 -0.5125 -0.5125 -0.2549 -0.2549 -0.2546 -0.2546 2.1350 2.1350 2.1356 2.1356 3.0552 3.0552 3.0574 3.0574 3.2783 3.2783 3.2816 3.2816 3.7250 3.7250 3.7260 3.7260 5.9239 5.9239 5.9267 5.9267 6.0346 6.0346 6.0370 6.0370 6.7183 6.7183 6.7187 6.7187 8.1023 8.1023 8.1044 8.1044 8.1590 8.1590 8.1633 8.1633 10.2547 10.2547 10.2621 10.2621 10.4882 10.4882 10.4938 10.4938 15.2449 15.2449 15.2456 15.2456 k = 0.1250 0.0722 1.3084 ( 4828 PWs) bands (ev): -7.0665 -7.0665 -7.0662 -7.0662 -6.6518 -6.6518 -6.6510 -6.6510 -6.6208 -6.6208 -6.6199 -6.6199 -3.8621 -3.8621 -3.8620 -3.8620 -0.7923 -0.7923 -0.7916 -0.7916 -0.5014 -0.5014 -0.5011 -0.5011 -0.2150 -0.2150 -0.2148 -0.2148 2.1261 2.1261 2.1266 2.1266 3.0352 3.0352 3.0376 3.0376 3.2629 3.2629 3.2666 3.2666 3.7278 3.7278 3.7290 3.7290 5.9279 5.9279 5.9306 5.9306 6.0429 6.0429 6.0451 6.0451 6.7022 6.7022 6.7025 6.7025 8.1055 8.1055 8.1073 8.1073 8.1756 8.1756 8.1793 8.1793 10.2804 10.2804 10.2875 10.2875 10.5202 10.5202 10.5254 10.5254 15.2036 15.2036 15.2046 15.2046 k = 0.1458 0.0842 1.3084 ( 4828 PWs) bands (ev): -7.0618 -7.0618 -7.0615 -7.0615 -6.6548 -6.6548 -6.6539 -6.6539 -6.6239 -6.6239 -6.6228 -6.6228 -3.8624 -3.8624 -3.8623 -3.8623 -0.8225 -0.8225 -0.8219 -0.8219 -0.4861 -0.4861 -0.4858 -0.4858 -0.1748 -0.1748 -0.1745 -0.1745 2.1158 2.1158 2.1163 2.1163 3.0105 3.0105 3.0129 3.0129 3.2490 3.2490 3.2529 3.2529 3.7297 3.7297 3.7309 3.7309 5.9311 5.9311 5.9335 5.9335 6.0533 6.0533 6.0553 6.0553 6.6847 6.6847 6.6851 6.6851 8.1085 8.1085 8.1103 8.1103 8.1948 8.1948 8.1981 8.1981 10.3077 10.3077 10.3143 10.3143 10.5591 10.5591 10.5638 10.5638 15.1555 15.1555 15.1567 15.1567 k = 0.1667 0.0962 1.3084 ( 4830 PWs) bands (ev): -7.0564 -7.0564 -7.0561 -7.0561 -6.6583 -6.6583 -6.6573 -6.6573 -6.6271 -6.6271 -6.6260 -6.6260 -3.8628 -3.8628 -3.8627 -3.8627 -0.8528 -0.8528 -0.8523 -0.8523 -0.4676 -0.4676 -0.4674 -0.4674 -0.1346 -0.1346 -0.1344 -0.1344 2.1042 2.1042 2.1047 2.1047 2.9814 2.9814 2.9839 2.9839 3.2371 3.2371 3.2411 3.2411 3.7303 3.7303 3.7315 3.7315 5.9333 5.9333 5.9354 5.9354 6.0656 6.0656 6.0673 6.0673 6.6664 6.6664 6.6668 6.6668 8.1117 8.1117 8.1135 8.1135 8.2160 8.2160 8.2190 8.2190 10.3358 10.3358 10.3419 10.3419 10.6047 10.6047 10.6089 10.6089 15.1017 15.1017 15.1030 15.1030 k = 0.1875 0.1083 1.3084 ( 4834 PWs) bands (ev): -7.0505 -7.0505 -7.0502 -7.0502 -6.6624 -6.6624 -6.6613 -6.6613 -6.6305 -6.6305 -6.6293 -6.6293 -3.8631 -3.8631 -3.8630 -3.8630 -0.8827 -0.8827 -0.8822 -0.8822 -0.4465 -0.4465 -0.4463 -0.4463 -0.0949 -0.0949 -0.0947 -0.0947 2.0914 2.0914 2.0919 2.0919 2.9487 2.9487 2.9510 2.9510 3.2274 3.2274 3.2313 3.2313 3.7293 3.7293 3.7306 3.7306 5.9345 5.9345 5.9364 5.9364 6.0791 6.0791 6.0807 6.0807 6.6478 6.6478 6.6482 6.6482 8.1153 8.1153 8.1171 8.1171 8.2387 8.2387 8.2414 8.2414 10.3641 10.3641 10.3694 10.3694 10.6567 10.6567 10.6602 10.6602 15.0436 15.0436 15.0451 15.0451 k = 0.2083 0.1203 1.3084 ( 4834 PWs) bands (ev): -7.0440 -7.0440 -7.0437 -7.0437 -6.6671 -6.6671 -6.6660 -6.6660 -6.6339 -6.6339 -6.6327 -6.6327 -3.8635 -3.8635 -3.8633 -3.8633 -0.9117 -0.9117 -0.9112 -0.9112 -0.4232 -0.4232 -0.4231 -0.4231 -0.0561 -0.0561 -0.0558 -0.0558 2.0775 2.0775 2.0780 2.0780 2.9132 2.9132 2.9155 2.9155 3.2195 3.2195 3.2233 3.2233 3.7269 3.7269 3.7282 3.7282 5.9350 5.9350 5.9366 5.9366 6.0933 6.0933 6.0948 6.0948 6.6294 6.6294 6.6297 6.6297 8.1193 8.1193 8.1211 8.1211 8.2624 8.2624 8.2649 8.2649 10.3919 10.3919 10.3966 10.3966 10.7142 10.7142 10.7171 10.7171 14.9829 14.9829 14.9844 14.9844 k = 0.2292 0.1323 1.3084 ( 4830 PWs) bands (ev): -7.0370 -7.0370 -7.0367 -7.0367 -6.6724 -6.6724 -6.6712 -6.6712 -6.6372 -6.6372 -6.6361 -6.6361 -3.8638 -3.8638 -3.8636 -3.8636 -0.9395 -0.9395 -0.9391 -0.9391 -0.3982 -0.3982 -0.3981 -0.3981 -0.0184 -0.0184 -0.0181 -0.0181 2.0628 2.0628 2.0633 2.0633 2.8761 2.8761 2.8783 2.8783 3.2134 3.2134 3.2170 3.2170 3.7229 3.7229 3.7243 3.7243 5.9349 5.9349 5.9364 5.9364 6.1078 6.1078 6.1091 6.1091 6.6115 6.6115 6.6119 6.6119 8.1239 8.1239 8.1258 8.1258 8.2867 8.2867 8.2890 8.2890 10.4192 10.4192 10.4232 10.4232 10.7763 10.7763 10.7786 10.7786 14.9209 14.9209 14.9224 14.9224 k = 0.2500 0.1443 1.3084 ( 4830 PWs) bands (ev): -7.0296 -7.0296 -7.0294 -7.0294 -6.6782 -6.6782 -6.6771 -6.6771 -6.6404 -6.6404 -6.6393 -6.6393 -3.8640 -3.8640 -3.8639 -3.8639 -0.9659 -0.9659 -0.9655 -0.9655 -0.3721 -0.3721 -0.3720 -0.3720 0.0177 0.0177 0.0180 0.0180 2.0474 2.0474 2.0479 2.0479 2.8383 2.8383 2.8403 2.8403 3.2085 3.2085 3.2120 3.2120 3.7176 3.7176 3.7190 3.7190 5.9346 5.9346 5.9359 5.9359 6.1218 6.1218 6.1230 6.1230 6.5945 6.5945 6.5949 6.5949 8.1291 8.1291 8.1309 8.1309 8.3111 8.3111 8.3134 8.3134 10.4456 10.4456 10.4491 10.4491 10.8418 10.8418 10.8436 10.8436 14.8591 14.8591 14.8605 14.8605 k = 0.2708 0.1564 1.3084 ( 4820 PWs) bands (ev): -7.0219 -7.0219 -7.0216 -7.0216 -6.6845 -6.6845 -6.6835 -6.6835 -6.6434 -6.6434 -6.6424 -6.6424 -3.8643 -3.8643 -3.8641 -3.8641 -0.9907 -0.9907 -0.9903 -0.9903 -0.3451 -0.3451 -0.3450 -0.3450 0.0521 0.0521 0.0524 0.0524 2.0315 2.0315 2.0319 2.0319 2.8007 2.8007 2.8026 2.8026 3.2048 3.2048 3.2081 3.2081 3.7111 3.7111 3.7125 3.7125 5.9341 5.9341 5.9353 5.9353 6.1352 6.1352 6.1363 6.1363 6.5786 6.5786 6.5790 6.5790 8.1347 8.1347 8.1365 8.1365 8.3354 8.3354 8.3375 8.3375 10.4711 10.4711 10.4741 10.4741 10.9095 10.9095 10.9109 10.9109 14.7986 14.7986 14.8000 14.8000 k = 0.2917 0.1684 1.3084 ( 4832 PWs) bands (ev): -7.0139 -7.0139 -7.0137 -7.0137 -6.6912 -6.6912 -6.6903 -6.6903 -6.6462 -6.6462 -6.6452 -6.6452 -3.8644 -3.8644 -3.8643 -3.8643 -1.0138 -1.0138 -1.0134 -1.0134 -0.3178 -0.3178 -0.3177 -0.3177 0.0843 0.0843 0.0847 0.0847 2.0153 2.0153 2.0157 2.0157 2.7641 2.7641 2.7659 2.7659 3.2019 3.2019 3.2051 3.2051 3.7036 3.7036 3.7050 3.7050 5.9336 5.9336 5.9347 5.9347 6.1474 6.1474 6.1484 6.1484 6.5641 6.5641 6.5645 6.5645 8.1407 8.1407 8.1424 8.1424 8.3591 8.3591 8.3611 8.3611 10.4954 10.4954 10.4980 10.4980 10.9781 10.9781 10.9792 10.9792 14.7404 14.7404 14.7417 14.7417 k = 0.3125 0.1804 1.3084 ( 4824 PWs) bands (ev): -7.0059 -7.0059 -7.0056 -7.0056 -6.6983 -6.6983 -6.6974 -6.6974 -6.6487 -6.6487 -6.6478 -6.6478 -3.8646 -3.8646 -3.8645 -3.8645 -1.0349 -1.0349 -1.0346 -1.0346 -0.2906 -0.2906 -0.2905 -0.2905 0.1142 0.1142 0.1146 0.1146 1.9991 1.9991 1.9995 1.9995 2.7292 2.7292 2.7308 2.7308 3.1997 3.1997 3.2027 3.2027 3.6954 3.6954 3.6967 3.6967 5.9333 5.9333 5.9342 5.9342 6.1583 6.1583 6.1593 6.1593 6.5510 6.5510 6.5514 6.5514 8.1469 8.1469 8.1486 8.1486 8.3819 8.3819 8.3839 8.3839 10.5184 10.5184 10.5206 10.5206 11.0464 11.0464 11.0472 11.0472 14.6855 14.6855 14.6869 14.6869 k = 0.3333 0.1925 1.3084 ( 4822 PWs) bands (ev): -6.9978 -6.9978 -6.9976 -6.9976 -6.7054 -6.7054 -6.7047 -6.7047 -6.6510 -6.6510 -6.6502 -6.6502 -3.8647 -3.8647 -3.8646 -3.8646 -1.0542 -1.0542 -1.0539 -1.0539 -0.2642 -0.2642 -0.2641 -0.2641 0.1415 0.1415 0.1419 0.1419 1.9832 1.9832 1.9836 1.9836 2.6966 2.6966 2.6981 2.6981 3.1981 3.1981 3.2010 3.2010 3.6868 3.6868 3.6881 3.6881 5.9331 5.9331 5.9339 5.9339 6.1679 6.1679 6.1688 6.1688 6.5395 6.5395 6.5399 6.5399 8.1532 8.1532 8.1549 8.1549 8.4035 8.4035 8.4053 8.4053 10.5399 10.5399 10.5417 10.5417 11.1129 11.1129 11.1136 11.1136 14.6349 14.6349 14.6362 14.6362 k = 0.3542 0.2045 1.3084 ( 4826 PWs) bands (ev): -6.9899 -6.9899 -6.9897 -6.9897 -6.7126 -6.7126 -6.7120 -6.7120 -6.6530 -6.6530 -6.6524 -6.6524 -3.8648 -3.8648 -3.8647 -3.8647 -1.0713 -1.0713 -1.0711 -1.0711 -0.2389 -0.2389 -0.2388 -0.2388 0.1660 0.1660 0.1663 0.1663 1.9680 1.9680 1.9683 1.9683 2.6668 2.6668 2.6682 2.6682 3.1969 3.1969 3.1997 3.1997 3.6781 3.6781 3.6794 3.6794 5.9330 5.9330 5.9338 5.9338 6.1759 6.1759 6.1768 6.1768 6.5295 6.5295 6.5299 6.5299 8.1593 8.1593 8.1609 8.1609 8.4234 8.4234 8.4252 8.4252 10.5595 10.5595 10.5611 10.5611 11.1762 11.1762 11.1769 11.1769 14.5891 14.5891 14.5904 14.5904 k = 0.3750 0.2165 1.3084 ( 4838 PWs) bands (ev): -6.9823 -6.9823 -6.9821 -6.9821 -6.7196 -6.7196 -6.7190 -6.7190 -6.6548 -6.6548 -6.6543 -6.6543 -3.8648 -3.8648 -3.8647 -3.8647 -1.0864 -1.0864 -1.0861 -1.0861 -0.2155 -0.2155 -0.2154 -0.2154 0.1874 0.1874 0.1878 0.1878 1.9537 1.9537 1.9540 1.9540 2.6402 2.6402 2.6416 2.6416 3.1961 3.1961 3.1987 3.1987 3.6697 3.6697 3.6710 3.6710 5.9331 5.9331 5.9338 5.9338 6.1826 6.1826 6.1834 6.1834 6.5210 6.5210 6.5213 6.5213 8.1651 8.1651 8.1667 8.1667 8.4415 8.4415 8.4432 8.4432 10.5771 10.5771 10.5784 10.5784 11.2350 11.2350 11.2358 11.2358 14.5490 14.5490 14.5501 14.5501 k = 0.3958 0.2285 1.3084 ( 4846 PWs) bands (ev): -6.9753 -6.9753 -6.9751 -6.9751 -6.7261 -6.7261 -6.7256 -6.7256 -6.6563 -6.6563 -6.6559 -6.6559 -3.8648 -3.8648 -3.8647 -3.8647 -1.0992 -1.0992 -1.0990 -1.0990 -0.1944 -0.1944 -0.1943 -0.1943 0.2057 0.2057 0.2061 0.2061 1.9408 1.9408 1.9411 1.9411 2.6173 2.6173 2.6185 2.6185 3.1956 3.1956 3.1981 3.1981 3.6619 3.6619 3.6631 3.6631 5.9333 5.9333 5.9339 5.9339 6.1880 6.1880 6.1887 6.1887 6.5140 6.5140 6.5143 6.5143 8.1705 8.1705 8.1720 8.1720 8.4574 8.4574 8.4591 8.4591 10.5924 10.5924 10.5935 10.5935 11.2878 11.2878 11.2888 11.2888 14.5149 14.5149 14.5160 14.5160 k = 0.4167 0.2406 1.3084 ( 4842 PWs) bands (ev): -6.9690 -6.9690 -6.9689 -6.9689 -6.7319 -6.7319 -6.7316 -6.7316 -6.6576 -6.6576 -6.6572 -6.6572 -3.8648 -3.8648 -3.8647 -3.8647 -1.1098 -1.1098 -1.1096 -1.1096 -0.1762 -0.1762 -0.1761 -0.1761 0.2207 0.2207 0.2211 0.2211 1.9297 1.9297 1.9299 1.9299 2.5981 2.5981 2.5993 2.5993 3.1953 3.1953 3.1977 3.1977 3.6551 3.6551 3.6562 3.6562 5.9336 5.9336 5.9341 5.9341 6.1921 6.1921 6.1927 6.1927 6.5085 6.5085 6.5087 6.5087 8.1751 8.1751 8.1765 8.1765 8.4708 8.4708 8.4725 8.4725 10.6053 10.6053 10.6061 10.6061 11.3334 11.3334 11.3344 11.3344 14.4872 14.4872 14.4883 14.4883 k = 0.4375 0.2526 1.3084 ( 4838 PWs) bands (ev): -6.9638 -6.9638 -6.9637 -6.9637 -6.7369 -6.7369 -6.7365 -6.7365 -6.6585 -6.6585 -6.6583 -6.6583 -3.8648 -3.8648 -3.8647 -3.8647 -1.1180 -1.1180 -1.1179 -1.1179 -0.1614 -0.1614 -0.1613 -0.1613 0.2324 0.2324 0.2328 0.2328 1.9206 1.9206 1.9208 1.9208 2.5831 2.5831 2.5842 2.5842 3.1951 3.1951 3.1974 3.1974 3.6495 3.6495 3.6505 3.6505 5.9339 5.9339 5.9343 5.9343 6.1952 6.1952 6.1957 6.1957 6.5042 6.5042 6.5044 6.5044 8.1789 8.1789 8.1803 8.1803 8.4815 8.4815 8.4832 8.4832 10.6155 10.6155 10.6162 10.6162 11.3704 11.3704 11.3715 11.3715 14.4662 14.4662 14.4671 14.4671 k = 0.4583 0.2646 1.3084 ( 4844 PWs) bands (ev): -6.9599 -6.9599 -6.9598 -6.9598 -6.7406 -6.7406 -6.7403 -6.7403 -6.6592 -6.6592 -6.6590 -6.6590 -3.8648 -3.8648 -3.8647 -3.8647 -1.1240 -1.1240 -1.1238 -1.1238 -0.1505 -0.1505 -0.1504 -0.1504 0.2407 0.2407 0.2412 0.2412 1.9139 1.9139 1.9140 1.9140 2.5722 2.5722 2.5733 2.5733 3.1951 3.1951 3.1972 3.1972 3.6453 3.6453 3.6463 3.6463 5.9341 5.9341 5.9345 5.9345 6.1973 6.1973 6.1977 6.1977 6.5012 6.5012 6.5014 6.5014 8.1818 8.1818 8.1831 8.1831 8.4893 8.4893 8.4909 8.4909 10.6229 10.6229 10.6234 10.6234 11.3977 11.3977 11.3989 11.3989 14.4516 14.4516 14.4524 14.4524 k = 0.4792 0.2766 1.3084 ( 4848 PWs) bands (ev): -6.9574 -6.9574 -6.9573 -6.9573 -6.7429 -6.7429 -6.7427 -6.7427 -6.6597 -6.6597 -6.6595 -6.6595 -3.8648 -3.8648 -3.8647 -3.8647 -1.1275 -1.1275 -1.1274 -1.1274 -0.1438 -0.1438 -0.1437 -0.1437 0.2457 0.2457 0.2462 0.2462 1.9097 1.9097 1.9099 1.9099 2.5657 2.5657 2.5667 2.5667 3.1950 3.1950 3.1971 3.1971 3.6427 3.6427 3.6436 3.6436 5.9343 5.9343 5.9346 5.9346 6.1985 6.1985 6.1988 6.1988 6.4995 6.4995 6.4996 6.4996 8.1835 8.1835 8.1848 8.1848 8.4940 8.4940 8.4956 8.4956 10.6274 10.6274 10.6278 10.6278 11.4145 11.4145 11.4157 11.4157 14.4432 14.4432 14.4438 14.4438 k = 0.5000 0.2887 1.3084 ( 4844 PWs) bands (ev): -6.9566 -6.9566 -6.9565 -6.9565 -6.7437 -6.7437 -6.7435 -6.7435 -6.6598 -6.6598 -6.6597 -6.6597 -3.8648 -3.8648 -3.8647 -3.8647 -1.1287 -1.1287 -1.1286 -1.1286 -0.1415 -0.1415 -0.1414 -0.1414 0.2474 0.2474 0.2479 0.2479 1.9084 1.9084 1.9085 1.9085 2.5635 2.5635 2.5645 2.5645 3.1950 3.1950 3.1971 3.1971 3.6418 3.6418 3.6428 3.6428 5.9344 5.9344 5.9346 5.9346 6.1989 6.1989 6.1992 6.1992 6.4989 6.4989 6.4990 6.4990 8.1841 8.1841 8.1854 8.1854 8.4956 8.4956 8.4972 8.4972 10.6289 10.6289 10.6293 10.6293 11.4202 11.4202 11.4214 11.4214 14.4404 14.4404 14.4410 14.4410 k = 0.5000 0.2887 1.3084 ( 4844 PWs) bands (ev): -6.9566 -6.9566 -6.9565 -6.9565 -6.7437 -6.7437 -6.7435 -6.7435 -6.6598 -6.6598 -6.6597 -6.6597 -3.8648 -3.8648 -3.8647 -3.8647 -1.1287 -1.1287 -1.1286 -1.1286 -0.1415 -0.1415 -0.1414 -0.1414 0.2474 0.2474 0.2479 0.2479 1.9084 1.9084 1.9085 1.9085 2.5635 2.5635 2.5645 2.5645 3.1950 3.1950 3.1971 3.1971 3.6418 3.6418 3.6428 3.6428 5.9344 5.9344 5.9346 5.9346 6.1989 6.1989 6.1992 6.1992 6.4989 6.4989 6.4990 6.4990 8.1841 8.1841 8.1854 8.1854 8.4956 8.4956 8.4972 8.4972 10.6289 10.6289 10.6293 10.6293 11.4202 11.4202 11.4214 11.4214 14.4404 14.4404 14.4410 14.4410 k = 0.4881 0.3093 1.3084 ( 4852 PWs) bands (ev): -6.9564 -6.9564 -6.9563 -6.9563 -6.7436 -6.7436 -6.7434 -6.7434 -6.6602 -6.6602 -6.6600 -6.6600 -3.8647 -3.8647 -3.8647 -3.8647 -1.1293 -1.1293 -1.1292 -1.1292 -0.1404 -0.1404 -0.1403 -0.1403 0.2477 0.2477 0.2482 0.2482 1.9083 1.9083 1.9085 1.9085 2.5612 2.5612 2.5626 2.5626 3.1959 3.1959 3.1982 3.1982 3.6416 3.6416 3.6426 3.6426 5.9320 5.9320 5.9326 5.9326 6.2007 6.2007 6.2014 6.2014 6.4989 6.4989 6.4991 6.4991 8.1852 8.1852 8.1865 8.1865 8.4947 8.4947 8.4963 8.4963 10.6320 10.6320 10.6325 10.6325 11.4184 11.4184 11.4197 11.4197 14.4420 14.4420 14.4426 14.4426 k = 0.4762 0.3299 1.3084 ( 4852 PWs) bands (ev): -6.9558 -6.9558 -6.9557 -6.9557 -6.7432 -6.7432 -6.7430 -6.7430 -6.6613 -6.6613 -6.6611 -6.6611 -3.8646 -3.8646 -3.8646 -3.8646 -1.1310 -1.1310 -1.1309 -1.1309 -0.1371 -0.1371 -0.1369 -0.1369 0.2487 0.2487 0.2492 0.2492 1.9082 1.9082 1.9086 1.9086 2.5548 2.5548 2.5570 2.5570 3.1983 3.1983 3.2013 3.2013 3.6409 3.6409 3.6419 3.6419 5.9255 5.9255 5.9266 5.9266 6.2062 6.2062 6.2075 6.2075 6.4990 6.4990 6.4992 6.4992 8.1887 8.1887 8.1900 8.1900 8.4920 8.4920 8.4937 8.4937 10.6414 10.6414 10.6420 10.6420 11.4130 11.4130 11.4145 11.4145 14.4467 14.4467 14.4473 14.4473 k = 0.4643 0.3505 1.3084 ( 4840 PWs) bands (ev): -6.9549 -6.9549 -6.9548 -6.9548 -6.7425 -6.7425 -6.7423 -6.7423 -6.6631 -6.6631 -6.6629 -6.6629 -3.8645 -3.8645 -3.8645 -3.8645 -1.1338 -1.1338 -1.1336 -1.1336 -0.1316 -0.1316 -0.1314 -0.1314 0.2504 0.2504 0.2509 0.2509 1.9082 1.9082 1.9088 1.9088 2.5447 2.5447 2.5478 2.5478 3.2024 3.2024 3.2061 3.2061 3.6397 3.6397 3.6409 3.6409 5.9159 5.9159 5.9174 5.9174 6.2148 6.2148 6.2165 6.2165 6.4991 6.4991 6.4994 6.4994 8.1945 8.1945 8.1958 8.1958 8.4877 8.4877 8.4894 8.4894 10.6567 10.6567 10.6575 10.6575 11.4043 11.4043 11.4060 11.4060 14.4541 14.4541 14.4548 14.4548 k = 0.4524 0.3712 1.3084 ( 4844 PWs) bands (ev): -6.9536 -6.9536 -6.9535 -6.9535 -6.7416 -6.7416 -6.7413 -6.7413 -6.6656 -6.6656 -6.6654 -6.6654 -3.8643 -3.8643 -3.8643 -3.8643 -1.1374 -1.1374 -1.1373 -1.1373 -0.1243 -0.1243 -0.1241 -0.1241 0.2525 0.2525 0.2531 0.2531 1.9081 1.9081 1.9089 1.9089 2.5316 2.5316 2.5354 2.5354 3.2078 3.2078 3.2123 3.2123 3.6381 3.6381 3.6394 3.6394 5.9041 5.9041 5.9059 5.9059 6.2253 6.2253 6.2274 6.2274 6.4993 6.4993 6.4996 6.4996 8.2024 8.2024 8.2037 8.2037 8.4817 8.4817 8.4835 8.4835 10.6777 10.6777 10.6786 10.6786 11.3922 11.3922 11.3943 11.3943 14.4637 14.4637 14.4644 14.4644 k = 0.4405 0.3918 1.3084 ( 4846 PWs) bands (ev): -6.9521 -6.9521 -6.9520 -6.9520 -6.7405 -6.7405 -6.7402 -6.7402 -6.6687 -6.6687 -6.6684 -6.6684 -3.8641 -3.8641 -3.8641 -3.8641 -1.1418 -1.1418 -1.1416 -1.1416 -0.1155 -0.1155 -0.1152 -0.1152 0.2552 0.2552 0.2557 0.2557 1.9080 1.9080 1.9089 1.9089 2.5161 2.5161 2.5207 2.5207 3.2143 3.2143 3.2194 3.2194 3.6359 3.6359 3.6374 3.6374 5.8912 5.8912 5.8933 5.8933 6.2369 6.2369 6.2394 6.2394 6.4995 6.4995 6.4999 6.4999 8.2124 8.2124 8.2138 8.2138 8.4741 8.4741 8.4761 8.4761 10.7037 10.7037 10.7048 10.7048 11.3772 11.3772 11.3796 11.3796 14.4746 14.4746 14.4752 14.4752 k = 0.4286 0.4124 1.3084 ( 4858 PWs) bands (ev): -6.9503 -6.9503 -6.9501 -6.9501 -6.7391 -6.7391 -6.7388 -6.7388 -6.6722 -6.6722 -6.6720 -6.6720 -3.8639 -3.8639 -3.8639 -3.8639 -1.1466 -1.1466 -1.1465 -1.1465 -0.1055 -0.1055 -0.1052 -0.1052 0.2582 0.2582 0.2588 0.2588 1.9079 1.9079 1.9089 1.9089 2.4991 2.4991 2.5043 2.5043 3.2214 3.2214 3.2271 3.2271 3.6333 3.6333 3.6349 3.6349 5.8780 5.8780 5.8803 5.8803 6.2486 6.2486 6.2514 6.2514 6.4997 6.4997 6.5000 6.5000 8.2242 8.2242 8.2256 8.2256 8.4652 8.4652 8.4673 8.4673 10.7342 10.7342 10.7354 10.7354 11.3593 11.3593 11.3622 11.3622 14.4854 14.4854 14.4860 14.4860 k = 0.4167 0.4330 1.3084 ( 4846 PWs) bands (ev): -6.9483 -6.9483 -6.9481 -6.9481 -6.7375 -6.7375 -6.7372 -6.7372 -6.6762 -6.6762 -6.6760 -6.6760 -3.8637 -3.8637 -3.8636 -3.8636 -1.1517 -1.1517 -1.1516 -1.1516 -0.0949 -0.0949 -0.0945 -0.0945 0.2614 0.2614 0.2620 0.2620 1.9077 1.9077 1.9088 1.9088 2.4813 2.4813 2.4871 2.4871 3.2288 3.2288 3.2350 3.2350 3.6303 3.6303 3.6320 3.6320 5.8653 5.8653 5.8677 5.8677 6.2601 6.2601 6.2631 6.2631 6.4998 6.4998 6.5002 6.5002 8.2378 8.2378 8.2392 8.2392 8.4550 8.4550 8.4573 8.4573 10.7683 10.7683 10.7695 10.7695 11.3392 11.3392 11.3424 11.3424 14.4950 14.4950 14.4956 14.4956 k = 0.4048 0.4536 1.3084 ( 4842 PWs) bands (ev): -6.9462 -6.9462 -6.9460 -6.9460 -6.7358 -6.7358 -6.7355 -6.7355 -6.6805 -6.6805 -6.6802 -6.6802 -3.8634 -3.8634 -3.8634 -3.8634 -1.1569 -1.1569 -1.1567 -1.1567 -0.0840 -0.0840 -0.0836 -0.0836 0.2648 0.2648 0.2654 0.2654 1.9074 1.9074 1.9086 1.9086 2.4637 2.4637 2.4699 2.4699 3.2361 3.2361 3.2427 3.2427 3.6269 3.6269 3.6287 3.6287 5.8536 5.8536 5.8561 5.8561 6.2706 6.2706 6.2738 6.2738 6.4999 6.4999 6.5002 6.5002 8.2528 8.2528 8.2542 8.2542 8.4437 8.4437 8.4462 8.4462 10.8049 10.8049 10.8061 10.8061 11.3171 11.3171 11.3208 11.3208 14.5022 14.5022 14.5031 14.5031 k = 0.3929 0.4743 1.3084 ( 4842 PWs) bands (ev): -6.9441 -6.9441 -6.9439 -6.9439 -6.7341 -6.7341 -6.7337 -6.7337 -6.6848 -6.6848 -6.6845 -6.6845 -3.8632 -3.8632 -3.8631 -3.8631 -1.1618 -1.1618 -1.1616 -1.1616 -0.0734 -0.0734 -0.0730 -0.0730 0.2680 0.2680 0.2687 0.2687 1.9070 1.9070 1.9082 1.9082 2.4470 2.4470 2.4536 2.4536 3.2429 3.2429 3.2499 3.2499 3.6234 3.6234 3.6253 3.6253 5.8432 5.8432 5.8459 5.8459 6.2799 6.2799 6.2833 6.2833 6.4999 6.4999 6.5001 6.5001 8.2689 8.2689 8.2702 8.2702 8.4314 8.4314 8.4342 8.4342 10.8427 10.8427 10.8438 10.8438 11.2938 11.2938 11.2980 11.2980 14.5072 14.5072 14.5084 14.5084 k = 0.3810 0.4949 1.3084 ( 4834 PWs) bands (ev): -6.9420 -6.9420 -6.9418 -6.9418 -6.7323 -6.7323 -6.7319 -6.7319 -6.6890 -6.6890 -6.6886 -6.6886 -3.8630 -3.8630 -3.8629 -3.8629 -1.1662 -1.1662 -1.1660 -1.1660 -0.0637 -0.0637 -0.0632 -0.0632 0.2711 0.2711 0.2718 0.2718 1.9066 1.9066 1.9077 1.9077 2.4320 2.4320 2.4390 2.4390 3.2491 3.2491 3.2563 3.2563 3.6199 3.6199 3.6219 3.6219 5.8346 5.8346 5.8373 5.8373 6.2877 6.2877 6.2913 6.2913 6.4997 6.4997 6.4999 6.4999 8.2858 8.2858 8.2870 8.2870 8.4183 8.4183 8.4214 8.4214 10.8801 10.8801 10.8810 10.8810 11.2702 11.2702 11.2749 11.2749 14.5104 14.5104 14.5118 14.5118 k = 0.3690 0.5155 1.3084 ( 4838 PWs) bands (ev): -6.9402 -6.9402 -6.9400 -6.9400 -6.7307 -6.7307 -6.7303 -6.7303 -6.6928 -6.6928 -6.6924 -6.6924 -3.8628 -3.8628 -3.8627 -3.8627 -1.1700 -1.1700 -1.1697 -1.1697 -0.0553 -0.0553 -0.0548 -0.0548 0.2738 0.2738 0.2746 0.2746 1.9060 1.9060 1.9071 1.9071 2.4194 2.4194 2.4268 2.4268 3.2542 3.2542 3.2616 3.2616 3.6167 3.6167 3.6187 3.6187 5.8279 5.8279 5.8306 5.8306 6.2939 6.2939 6.2976 6.2976 6.4995 6.4995 6.4997 6.4997 8.3028 8.3028 8.3039 8.3039 8.4046 8.4046 8.4081 8.4081 10.9149 10.9149 10.9154 10.9154 11.2477 11.2477 11.2530 11.2530 14.5126 14.5126 14.5142 14.5142 k = 0.3571 0.5361 1.3084 ( 4836 PWs) bands (ev): -6.9387 -6.9387 -6.9385 -6.9385 -6.7295 -6.7295 -6.7290 -6.7290 -6.6958 -6.6958 -6.6954 -6.6954 -3.8627 -3.8627 -3.8626 -3.8626 -1.1729 -1.1729 -1.1726 -1.1726 -0.0488 -0.0488 -0.0483 -0.0483 0.2760 0.2760 0.2767 0.2767 1.9054 1.9054 1.9065 1.9065 2.4099 2.4099 2.4175 2.4175 3.2580 3.2580 3.2656 3.2656 3.6141 3.6141 3.6161 3.6161 5.8231 5.8231 5.8259 5.8259 6.2983 6.2983 6.3021 6.3021 6.4993 6.4993 6.4994 6.4994 8.3192 8.3192 8.3205 8.3205 8.3906 8.3906 8.3949 8.3949 10.9441 10.9441 10.9443 10.9443 11.2284 11.2284 11.2343 11.2343 14.5142 14.5142 14.5160 14.5160 k = 0.3452 0.5567 1.3084 ( 4844 PWs) bands (ev): -6.9377 -6.9377 -6.9375 -6.9375 -6.7287 -6.7287 -6.7283 -6.7283 -6.6977 -6.6977 -6.6974 -6.6974 -3.8626 -3.8626 -3.8625 -3.8625 -1.1747 -1.1747 -1.1745 -1.1745 -0.0445 -0.0445 -0.0441 -0.0441 0.2774 0.2774 0.2781 0.2781 1.9049 1.9049 1.9060 1.9060 2.4039 2.4039 2.4116 2.4116 3.2604 3.2604 3.2680 3.2680 3.6123 3.6123 3.6143 3.6143 5.8202 5.8202 5.8230 5.8230 6.3010 6.3010 6.3049 6.3049 6.4991 6.4991 6.4991 6.4991 8.3330 8.3330 8.3356 8.3356 8.3774 8.3774 8.3832 8.3832 10.9638 10.9638 10.9641 10.9641 11.2151 11.2151 11.2216 11.2216 14.5154 14.5154 14.5172 14.5172 k = 0.3333 0.5774 1.3084 ( 4848 PWs) bands (ev): -6.9373 -6.9373 -6.9371 -6.9371 -6.7285 -6.7285 -6.7280 -6.7280 -6.6984 -6.6984 -6.6980 -6.6980 -3.8626 -3.8626 -3.8625 -3.8625 -1.1754 -1.1754 -1.1751 -1.1751 -0.0431 -0.0431 -0.0426 -0.0426 0.2779 0.2779 0.2787 0.2787 1.9047 1.9047 1.9058 1.9058 2.4019 2.4019 2.4096 2.4096 3.2612 3.2612 3.2689 3.2689 3.6116 3.6116 3.6136 3.6136 5.8193 5.8193 5.8221 5.8221 6.3019 6.3019 6.3057 6.3057 6.4990 6.4990 6.4990 6.4990 8.3394 8.3394 8.3436 8.3436 8.3701 8.3701 8.3776 8.3776 10.9707 10.9707 10.9712 10.9712 11.2105 11.2105 11.2172 11.2172 14.5159 14.5159 14.5178 14.5178 k = 0.3333 0.5774 1.3084 ( 4848 PWs) bands (ev): -6.9373 -6.9373 -6.9371 -6.9371 -6.7285 -6.7285 -6.7280 -6.7280 -6.6984 -6.6984 -6.6980 -6.6980 -3.8626 -3.8626 -3.8625 -3.8625 -1.1754 -1.1754 -1.1751 -1.1751 -0.0431 -0.0431 -0.0426 -0.0426 0.2779 0.2779 0.2787 0.2787 1.9047 1.9047 1.9058 1.9058 2.4019 2.4019 2.4096 2.4096 3.2612 3.2612 3.2689 3.2689 3.6116 3.6116 3.6136 3.6136 5.8193 5.8193 5.8221 5.8221 6.3019 6.3019 6.3057 6.3057 6.4990 6.4990 6.4990 6.4990 8.3394 8.3394 8.3436 8.3436 8.3701 8.3701 8.3776 8.3776 10.9707 10.9707 10.9712 10.9712 11.2105 11.2105 11.2172 11.2172 14.5159 14.5159 14.5178 14.5178 k = 0.3214 0.5567 1.3084 ( 4844 PWs) bands (ev): -6.9377 -6.9377 -6.9375 -6.9375 -6.7286 -6.7286 -6.7282 -6.7282 -6.6978 -6.6978 -6.6974 -6.6974 -3.8626 -3.8626 -3.8625 -3.8625 -1.1747 -1.1747 -1.1744 -1.1744 -0.0446 -0.0446 -0.0442 -0.0442 0.2773 0.2773 0.2781 0.2781 1.9050 1.9050 1.9061 1.9061 2.4040 2.4040 2.4117 2.4117 3.2604 3.2604 3.2680 3.2680 3.6123 3.6123 3.6144 3.6144 5.8202 5.8202 5.8230 5.8230 6.3010 6.3010 6.3049 6.3049 6.4991 6.4991 6.4992 6.4992 8.3333 8.3333 8.3359 8.3359 8.3770 8.3770 8.3829 8.3829 10.9641 10.9641 10.9644 10.9644 11.2145 11.2145 11.2210 11.2210 14.5152 14.5152 14.5170 14.5170 k = 0.3095 0.5361 1.3084 ( 4838 PWs) bands (ev): -6.9390 -6.9390 -6.9389 -6.9389 -6.7288 -6.7288 -6.7283 -6.7283 -6.6961 -6.6961 -6.6957 -6.6957 -3.8627 -3.8627 -3.8626 -3.8626 -1.1725 -1.1725 -1.1723 -1.1723 -0.0495 -0.0495 -0.0490 -0.0490 0.2754 0.2754 0.2762 0.2762 1.9060 1.9060 1.9071 1.9071 2.4104 2.4104 2.4179 2.4179 3.2581 3.2581 3.2657 3.2657 3.6145 3.6145 3.6165 3.6165 5.8227 5.8227 5.8255 5.8255 6.2985 6.2985 6.3023 6.3023 6.4995 6.4995 6.4996 6.4996 8.3203 8.3203 8.3216 8.3216 8.3887 8.3887 8.3930 8.3930 10.9461 10.9461 10.9464 10.9464 11.2237 11.2237 11.2297 11.2297 14.5127 14.5127 14.5146 14.5146 k = 0.2976 0.5155 1.3084 ( 4842 PWs) bands (ev): -6.9413 -6.9413 -6.9411 -6.9411 -6.7287 -6.7287 -6.7281 -6.7281 -6.6937 -6.6937 -6.6932 -6.6932 -3.8628 -3.8628 -3.8627 -3.8627 -1.1688 -1.1688 -1.1686 -1.1686 -0.0578 -0.0578 -0.0573 -0.0573 0.2719 0.2719 0.2727 0.2727 1.9080 1.9080 1.9092 1.9092 2.4210 2.4210 2.4283 2.4283 3.2545 3.2545 3.2619 3.2619 3.6181 3.6181 3.6202 3.6202 5.8267 5.8267 5.8295 5.8295 6.2943 6.2943 6.2980 6.2980 6.5004 6.5004 6.5005 6.5005 8.3051 8.3051 8.3060 8.3060 8.3996 8.3996 8.4032 8.4032 10.9202 10.9202 10.9209 10.9209 11.2337 11.2337 11.2390 11.2390 14.5088 14.5088 14.5105 14.5105 k = 0.2857 0.4949 1.3084 ( 4830 PWs) bands (ev): -6.9446 -6.9446 -6.9444 -6.9444 -6.7279 -6.7279 -6.7273 -6.7273 -6.6907 -6.6907 -6.6901 -6.6901 -3.8630 -3.8630 -3.8629 -3.8629 -1.1635 -1.1635 -1.1633 -1.1633 -0.0694 -0.0694 -0.0689 -0.0689 0.2667 0.2667 0.2674 0.2674 1.9113 1.9113 1.9125 1.9125 2.4357 2.4357 2.4427 2.4427 3.2498 3.2498 3.2570 3.2570 3.6231 3.6231 3.6253 3.6253 5.8321 5.8321 5.8348 5.8348 6.2886 6.2886 6.2922 6.2922 6.5017 6.5017 6.5020 6.5020 8.2892 8.2892 8.2901 8.2901 8.4085 8.4085 8.4116 8.4116 10.8895 10.8895 10.8905 10.8905 11.2407 11.2407 11.2454 11.2454 14.5045 14.5045 14.5061 14.5061 k = 0.2738 0.4743 1.3084 ( 4834 PWs) bands (ev): -6.9489 -6.9489 -6.9488 -6.9488 -6.7264 -6.7264 -6.7258 -6.7258 -6.6873 -6.6873 -6.6867 -6.6867 -3.8632 -3.8632 -3.8631 -3.8631 -1.1565 -1.1565 -1.1563 -1.1563 -0.0844 -0.0844 -0.0839 -0.0839 0.2593 0.2593 0.2600 0.2600 1.9159 1.9159 1.9172 1.9172 2.4544 2.4544 2.4611 2.4611 3.2443 3.2443 3.2513 3.2513 3.6295 3.6295 3.6316 3.6316 5.8384 5.8384 5.8411 5.8411 6.2814 6.2814 6.2849 6.2849 6.5037 6.5037 6.5040 6.5040 8.2730 8.2730 8.2740 8.2740 8.4150 8.4150 8.4178 8.4178 10.8557 10.8557 10.8571 10.8571 11.2422 11.2422 11.2463 11.2463 14.5020 14.5020 14.5034 14.5034 k = 0.2619 0.4536 1.3084 ( 4822 PWs) bands (ev): -6.9542 -6.9542 -6.9540 -6.9540 -6.7241 -6.7241 -6.7234 -6.7234 -6.6836 -6.6836 -6.6830 -6.6830 -3.8634 -3.8634 -3.8633 -3.8633 -1.1478 -1.1478 -1.1476 -1.1476 -0.1024 -0.1024 -0.1019 -0.1019 0.2498 0.2498 0.2505 0.2505 1.9221 1.9221 1.9235 1.9235 2.4769 2.4769 2.4831 2.4831 3.2385 3.2385 3.2452 3.2452 3.6369 3.6369 3.6390 3.6390 5.8456 5.8456 5.8483 5.8483 6.2730 6.2730 6.2763 6.2763 6.5064 6.5064 6.5068 6.5068 8.2570 8.2570 8.2580 8.2580 8.4187 8.4187 8.4212 8.4212 10.8202 10.8202 10.8219 10.8219 11.2368 11.2368 11.2403 11.2403 14.5033 14.5033 14.5045 14.5045 k = 0.2500 0.4330 1.3084 ( 4830 PWs) bands (ev): -6.9603 -6.9603 -6.9601 -6.9601 -6.7210 -6.7210 -6.7202 -6.7202 -6.6798 -6.6798 -6.6790 -6.6790 -3.8636 -3.8636 -3.8635 -3.8635 -1.1373 -1.1373 -1.1371 -1.1371 -0.1232 -0.1232 -0.1227 -0.1227 0.2377 0.2377 0.2384 0.2384 1.9298 1.9298 1.9313 1.9313 2.5028 2.5028 2.5085 2.5085 3.2325 3.2325 3.2389 3.2389 3.6452 3.6452 3.6473 3.6473 5.8535 5.8535 5.8561 5.8561 6.2632 6.2632 6.2664 6.2664 6.5099 6.5099 6.5104 6.5104 8.2412 8.2412 8.2422 8.2422 8.4194 8.4194 8.4217 8.4217 10.7837 10.7837 10.7856 10.7856 11.2235 11.2235 11.2264 11.2264 14.5100 14.5100 14.5110 14.5110 k = 0.2381 0.4124 1.3084 ( 4826 PWs) bands (ev): -6.9671 -6.9671 -6.9669 -6.9669 -6.7171 -6.7171 -6.7163 -6.7163 -6.6758 -6.6758 -6.6750 -6.6750 -3.8638 -3.8638 -3.8637 -3.8637 -1.1251 -1.1251 -1.1248 -1.1248 -0.1465 -0.1465 -0.1460 -0.1460 0.2231 0.2231 0.2238 0.2238 1.9391 1.9391 1.9406 1.9406 2.5319 2.5319 2.5371 2.5371 3.2268 3.2268 3.2328 3.2328 3.6541 3.6541 3.6562 3.6562 5.8617 5.8617 5.8643 5.8643 6.2523 6.2523 6.2553 6.2553 6.5144 6.5144 6.5149 6.5149 8.2259 8.2259 8.2269 8.2269 8.4170 8.4170 8.4192 8.4192 10.7467 10.7467 10.7488 10.7488 11.2022 11.2022 11.2046 11.2046 14.5232 14.5232 14.5241 14.5241 k = 0.2262 0.3918 1.3084 ( 4824 PWs) bands (ev): -6.9744 -6.9744 -6.9742 -6.9742 -6.7127 -6.7127 -6.7118 -6.7118 -6.6717 -6.6717 -6.6708 -6.6708 -3.8640 -3.8640 -3.8639 -3.8639 -1.1110 -1.1110 -1.1108 -1.1108 -0.1718 -0.1718 -0.1714 -0.1714 0.2058 0.2058 0.2064 0.2064 1.9500 1.9500 1.9515 1.9515 2.5639 2.5639 2.5686 2.5686 3.2216 3.2216 3.2271 3.2271 3.6634 3.6634 3.6655 3.6655 5.8701 5.8701 5.8726 5.8726 6.2404 6.2404 6.2432 6.2432 6.5200 6.5200 6.5206 6.5206 8.2112 8.2112 8.2122 8.2122 8.4116 8.4116 8.4137 8.4137 10.7095 10.7095 10.7118 10.7118 11.1729 11.1729 11.1748 11.1748 14.5435 14.5435 14.5443 14.5443 k = 0.2143 0.3712 1.3084 ( 4820 PWs) bands (ev): -6.9822 -6.9822 -6.9820 -6.9820 -6.7078 -6.7078 -6.7068 -6.7068 -6.6676 -6.6676 -6.6666 -6.6666 -3.8641 -3.8641 -3.8640 -3.8640 -1.0952 -1.0952 -1.0950 -1.0950 -0.1988 -0.1988 -0.1984 -0.1984 0.1858 0.1858 0.1864 0.1864 1.9621 1.9621 1.9636 1.9636 2.5983 2.5983 2.6025 2.6025 3.2170 3.2170 3.2222 3.2222 3.6729 3.6729 3.6749 3.6749 5.8786 5.8786 5.8810 5.8810 6.2273 6.2273 6.2300 6.2300 6.5269 6.5269 6.5275 6.5275 8.1972 8.1972 8.1982 8.1982 8.4032 8.4032 8.4051 8.4051 10.6725 10.6725 10.6750 10.6750 11.1361 11.1361 11.1376 11.1376 14.5709 14.5709 14.5717 14.5717 k = 0.2024 0.3505 1.3084 ( 4812 PWs) bands (ev): -6.9903 -6.9903 -6.9901 -6.9901 -6.7025 -6.7025 -6.7015 -6.7015 -6.6634 -6.6634 -6.6623 -6.6623 -3.8642 -3.8642 -3.8641 -3.8641 -1.0776 -1.0776 -1.0774 -1.0774 -0.2270 -0.2270 -0.2266 -0.2266 0.1630 0.1630 0.1636 0.1636 1.9754 1.9754 1.9768 1.9768 2.6350 2.6350 2.6387 2.6387 3.2134 3.2134 3.2182 3.2182 3.6823 3.6823 3.6843 3.6843 5.8869 5.8869 5.8893 5.8893 6.2133 6.2133 6.2158 6.2158 6.5351 6.5351 6.5357 6.5357 8.1841 8.1841 8.1851 8.1851 8.3919 8.3919 8.3938 8.3938 10.6358 10.6358 10.6385 10.6385 11.0927 11.0927 11.0939 11.0939 14.6053 14.6053 14.6062 14.6062 k = 0.1905 0.3299 1.3084 ( 4812 PWs) bands (ev): -6.9985 -6.9985 -6.9983 -6.9983 -6.6970 -6.6970 -6.6959 -6.6959 -6.6592 -6.6592 -6.6581 -6.6581 -3.8643 -3.8643 -3.8641 -3.8641 -1.0583 -1.0583 -1.0581 -1.0581 -0.2560 -0.2560 -0.2556 -0.2556 0.1377 0.1377 0.1383 0.1383 1.9896 1.9896 1.9910 1.9910 2.6734 2.6734 2.6767 2.6767 3.2107 3.2107 3.2152 3.2152 3.6913 3.6913 3.6932 3.6932 5.8949 5.8949 5.8971 5.8971 6.1984 6.1984 6.2007 6.2007 6.5447 6.5447 6.5453 6.5453 8.1719 8.1719 8.1729 8.1729 8.3779 8.3779 8.3798 8.3798 10.5997 10.5997 10.6026 10.6026 11.0435 11.0435 11.0447 11.0447 14.6462 14.6462 14.6473 14.6473 k = 0.1786 0.3093 1.3084 ( 4820 PWs) bands (ev): -7.0067 -7.0067 -7.0065 -7.0065 -6.6914 -6.6914 -6.6903 -6.6903 -6.6550 -6.6550 -6.6538 -6.6538 -3.8643 -3.8643 -3.8641 -3.8641 -1.0374 -1.0374 -1.0371 -1.0371 -0.2854 -0.2854 -0.2850 -0.2850 0.1098 0.1098 0.1104 0.1104 2.0044 2.0044 2.0057 2.0057 2.7131 2.7131 2.7161 2.7161 3.2092 3.2092 3.2133 3.2133 3.6999 3.6999 3.7017 3.7017 5.9023 5.9023 5.9046 5.9046 6.1826 6.1826 6.1848 6.1848 6.5557 6.5557 6.5564 6.5564 8.1608 8.1608 8.1617 8.1617 8.3616 8.3616 8.3634 8.3634 10.5641 10.5641 10.5673 10.5673 10.9898 10.9898 10.9911 10.9911 14.6931 14.6931 14.6942 14.6942 k = 0.1667 0.2887 1.3084 ( 4824 PWs) bands (ev): -7.0148 -7.0148 -7.0146 -7.0146 -6.6859 -6.6859 -6.6847 -6.6847 -6.6508 -6.6508 -6.6496 -6.6496 -3.8642 -3.8642 -3.8641 -3.8641 -1.0148 -1.0148 -1.0144 -1.0144 -0.3148 -0.3148 -0.3144 -0.3144 0.0796 0.0796 0.0801 0.0801 2.0196 2.0196 2.0208 2.0208 2.7538 2.7538 2.7564 2.7564 3.2088 3.2088 3.2127 3.2127 3.7077 3.7077 3.7094 3.7094 5.9092 5.9092 5.9114 5.9114 6.1661 6.1661 6.1682 6.1682 6.5683 6.5683 6.5690 6.5690 8.1507 8.1507 8.1516 8.1516 8.3433 8.3433 8.3451 8.3451 10.5293 10.5293 10.5328 10.5328 10.9329 10.9329 10.9344 10.9344 14.7450 14.7450 14.7462 14.7462 k = 0.1548 0.2681 1.3084 ( 4822 PWs) bands (ev): -7.0228 -7.0228 -7.0225 -7.0225 -6.6804 -6.6804 -6.6792 -6.6792 -6.6467 -6.6467 -6.6454 -6.6454 -3.8641 -3.8641 -3.8639 -3.8639 -0.9906 -0.9906 -0.9902 -0.9902 -0.3437 -0.3437 -0.3434 -0.3434 0.0473 0.0473 0.0477 0.0477 2.0350 2.0350 2.0361 2.0361 2.7948 2.7948 2.7973 2.7973 3.2097 3.2097 3.2135 3.2135 3.7146 3.7146 3.7162 3.7162 5.9154 5.9154 5.9175 5.9175 6.1491 6.1491 6.1511 6.1511 6.5824 6.5824 6.5830 6.5830 8.1418 8.1418 8.1426 8.1426 8.3233 8.3233 8.3251 8.3251 10.4952 10.4952 10.4990 10.4990 10.8740 10.8740 10.8759 10.8759 14.8010 14.8010 14.8024 14.8024 k = 0.1429 0.2474 1.3084 ( 4822 PWs) bands (ev): -7.0304 -7.0304 -7.0302 -7.0302 -6.6752 -6.6752 -6.6740 -6.6740 -6.6426 -6.6426 -6.6413 -6.6413 -3.8639 -3.8639 -3.8638 -3.8638 -0.9650 -0.9650 -0.9646 -0.9646 -0.3718 -0.3718 -0.3715 -0.3715 0.0130 0.0130 0.0134 0.0134 2.0502 2.0502 2.0512 2.0512 2.8357 2.8357 2.8380 2.8380 3.2120 3.2120 3.2157 3.2157 3.7204 3.7204 3.7220 3.7220 5.9208 5.9208 5.9228 5.9228 6.1317 6.1317 6.1337 6.1337 6.5978 6.5978 6.5983 6.5983 8.1340 8.1340 8.1348 8.1348 8.3020 8.3020 8.3039 8.3039 10.4620 10.4620 10.4661 10.4661 10.8146 10.8146 10.8169 10.8169 14.8603 14.8603 14.8616 14.8616 k = 0.1310 0.2268 1.3084 ( 4818 PWs) bands (ev): -7.0377 -7.0377 -7.0375 -7.0375 -6.6703 -6.6703 -6.6691 -6.6691 -6.6385 -6.6385 -6.6372 -6.6372 -3.8637 -3.8637 -3.8635 -3.8635 -0.9380 -0.9380 -0.9376 -0.9376 -0.3987 -0.3987 -0.3984 -0.3984 -0.0230 -0.0230 -0.0226 -0.0226 2.0650 2.0650 2.0659 2.0659 2.8757 2.8757 2.8780 2.8780 3.2158 3.2158 3.2196 3.2196 3.7250 3.7250 3.7265 3.7265 5.9251 5.9251 5.9271 5.9271 6.1144 6.1144 6.1163 6.1163 6.6143 6.6143 6.6148 6.6148 8.1272 8.1272 8.1281 8.1281 8.2799 8.2799 8.2820 8.2820 10.4295 10.4295 10.4341 10.4341 10.7560 10.7560 10.7588 10.7588 14.9214 14.9214 14.9228 14.9228 k = 0.1190 0.2062 1.3084 ( 4818 PWs) bands (ev): -7.0446 -7.0446 -7.0444 -7.0444 -6.6657 -6.6657 -6.6645 -6.6645 -6.6346 -6.6346 -6.6333 -6.6333 -3.8634 -3.8634 -3.8633 -3.8633 -0.9098 -0.9098 -0.9094 -0.9094 -0.4241 -0.4241 -0.4238 -0.4238 -0.0603 -0.0603 -0.0599 -0.0599 2.0793 2.0793 2.0801 2.0801 2.9142 2.9142 2.9165 2.9165 3.2213 3.2213 3.2251 3.2251 3.7283 3.7283 3.7298 3.7298 5.9283 5.9283 5.9304 5.9304 6.0975 6.0975 6.0993 6.0993 6.6318 6.6318 6.6323 6.6323 8.1215 8.1215 8.1224 8.1224 8.2574 8.2574 8.2597 8.2597 10.3977 10.3977 10.4028 10.4028 10.6996 10.6996 10.7028 10.7028 14.9833 14.9833 14.9846 14.9846 k = 0.1071 0.1856 1.3084 ( 4818 PWs) bands (ev): -7.0510 -7.0510 -7.0508 -7.0508 -6.6615 -6.6615 -6.6604 -6.6604 -6.6308 -6.6308 -6.6296 -6.6296 -3.8631 -3.8631 -3.8629 -3.8629 -0.8807 -0.8807 -0.8802 -0.8802 -0.4475 -0.4475 -0.4472 -0.4472 -0.0988 -0.0988 -0.0984 -0.0984 2.0927 2.0927 2.0934 2.0934 2.9503 2.9503 2.9527 2.9527 3.2287 3.2287 3.2326 3.2326 3.7302 3.7302 3.7316 3.7316 5.9303 5.9303 5.9324 5.9324 6.0814 6.0814 6.0832 6.0832 6.6499 6.6499 6.6503 6.6503 8.1167 8.1167 8.1176 8.1176 8.2351 8.2351 8.2376 8.2376 10.3666 10.3666 10.3723 10.3723 10.6464 10.6464 10.6503 10.6503 15.0442 15.0442 15.0455 15.0455 k = 0.0952 0.1650 1.3084 ( 4822 PWs) bands (ev): -7.0569 -7.0569 -7.0566 -7.0566 -6.6578 -6.6578 -6.6567 -6.6567 -6.6272 -6.6272 -6.6260 -6.6260 -3.8627 -3.8627 -3.8626 -3.8626 -0.8508 -0.8508 -0.8502 -0.8502 -0.4686 -0.4686 -0.4683 -0.4683 -0.1380 -0.1380 -0.1377 -0.1377 2.1052 2.1052 2.1059 2.1059 2.9831 2.9831 2.9856 2.9856 3.2382 3.2382 3.2422 3.2422 3.7307 3.7307 3.7320 3.7320 5.9307 5.9307 5.9330 5.9330 6.0666 6.0666 6.0685 6.0685 6.6681 6.6681 6.6685 6.6685 8.1126 8.1126 8.1136 8.1136 8.2134 8.2134 8.2162 8.2162 10.3364 10.3364 10.3426 10.3426 10.5978 10.5978 10.6022 10.6022 15.1027 15.1027 15.1038 15.1038 k = 0.0833 0.1443 1.3084 ( 4826 PWs) bands (ev): -7.0621 -7.0621 -7.0619 -7.0619 -6.6545 -6.6545 -6.6535 -6.6535 -6.6238 -6.6238 -6.6227 -6.6227 -3.8624 -3.8624 -3.8623 -3.8623 -0.8205 -0.8205 -0.8199 -0.8199 -0.4870 -0.4870 -0.4866 -0.4866 -0.1778 -0.1778 -0.1775 -0.1775 2.1166 2.1166 2.1172 2.1172 3.0121 3.0121 3.0145 3.0145 3.2500 3.2500 3.2539 3.2539 3.7298 3.7298 3.7311 3.7311 5.9297 5.9297 5.9322 5.9322 6.0536 6.0536 6.0557 6.0557 6.6861 6.6861 6.6865 6.6865 8.1089 8.1089 8.1102 8.1102 8.1930 8.1930 8.1961 8.1961 10.3071 10.3071 10.3139 10.3139 10.5546 10.5546 10.5595 10.5595 15.1569 15.1569 15.1578 15.1578 k = 0.0714 0.1237 1.3084 ( 4822 PWs) bands (ev): -7.0668 -7.0668 -7.0665 -7.0665 -6.6516 -6.6516 -6.6507 -6.6507 -6.6207 -6.6207 -6.6198 -6.6198 -3.8621 -3.8621 -3.8620 -3.8620 -0.7905 -0.7905 -0.7899 -0.7899 -0.5021 -0.5021 -0.5017 -0.5017 -0.2175 -0.2175 -0.2173 -0.2173 2.1267 2.1267 2.1273 2.1273 3.0364 3.0364 3.0388 3.0388 3.2639 3.2639 3.2675 3.2675 3.7278 3.7278 3.7290 3.7290 5.9272 5.9272 5.9298 5.9298 6.0428 6.0428 6.0451 6.0451 6.7033 6.7033 6.7036 6.7036 8.1056 8.1056 8.1072 8.1072 8.1743 8.1743 8.1780 8.1780 10.2793 10.2793 10.2865 10.2865 10.5175 10.5175 10.5227 10.5227 15.2052 15.2052 15.2059 15.2059 k = 0.0595 0.1031 1.3084 ( 4830 PWs) bands (ev): -7.0707 -7.0707 -7.0705 -7.0705 -6.6492 -6.6492 -6.6485 -6.6485 -6.6180 -6.6180 -6.6172 -6.6172 -3.8618 -3.8618 -3.8616 -3.8616 -0.7616 -0.7616 -0.7608 -0.7608 -0.5133 -0.5133 -0.5129 -0.5129 -0.2569 -0.2569 -0.2567 -0.2567 2.1354 2.1354 2.1360 2.1360 3.0561 3.0561 3.0582 3.0582 3.2791 3.2791 3.2824 3.2824 3.7248 3.7248 3.7259 3.7259 5.9234 5.9234 5.9263 5.9263 6.0344 6.0344 6.0368 6.0368 6.7191 6.7191 6.7194 6.7194 8.1022 8.1022 8.1042 8.1042 8.1582 8.1582 8.1624 8.1624 10.2536 10.2536 10.2611 10.2611 10.4866 10.4866 10.4921 10.4921 15.2464 15.2464 15.2469 15.2469 k = 0.0476 0.0825 1.3084 ( 4826 PWs) bands (ev): -7.0740 -7.0740 -7.0738 -7.0738 -6.6472 -6.6472 -6.6466 -6.6466 -6.6157 -6.6157 -6.6150 -6.6150 -3.8615 -3.8615 -3.8614 -3.8614 -0.7349 -0.7349 -0.7341 -0.7341 -0.5198 -0.5198 -0.5193 -0.5193 -0.2952 -0.2952 -0.2949 -0.2949 2.1427 2.1427 2.1432 2.1432 3.0712 3.0712 3.0731 3.0731 3.2946 3.2946 3.2974 3.2974 3.7213 3.7213 3.7222 3.7222 5.9191 5.9191 5.9220 5.9220 6.0283 6.0283 6.0308 6.0308 6.7330 6.7330 6.7334 6.7334 8.0985 8.0985 8.1010 8.1010 8.1452 8.1452 8.1501 8.1501 10.2309 10.2309 10.2386 10.2386 10.4619 10.4619 10.4676 10.4676 15.2799 15.2799 15.2802 15.2802 k = 0.0357 0.0619 1.3084 ( 4838 PWs) bands (ev): -7.0766 -7.0766 -7.0763 -7.0763 -6.6456 -6.6456 -6.6452 -6.6452 -6.6138 -6.6138 -6.6132 -6.6132 -3.8612 -3.8612 -3.8612 -3.8612 -0.7120 -0.7120 -0.7112 -0.7112 -0.5208 -0.5208 -0.5202 -0.5202 -0.3313 -0.3313 -0.3311 -0.3311 2.1484 2.1484 2.1490 2.1490 3.0822 3.0822 3.0838 3.0838 3.3089 3.3089 3.3111 3.3111 3.7177 3.7177 3.7184 3.7184 5.9147 5.9147 5.9177 5.9177 6.0240 6.0240 6.0265 6.0265 6.7445 6.7445 6.7448 6.7448 8.0945 8.0945 8.0974 8.0974 8.1357 8.1357 8.1411 8.1411 10.2121 10.2121 10.2199 10.2199 10.4432 10.4432 10.4490 10.4490 15.3054 15.3054 15.3056 15.3056 k = 0.0238 0.0412 1.3084 ( 4836 PWs) bands (ev): -7.0785 -7.0785 -7.0782 -7.0782 -6.6445 -6.6445 -6.6442 -6.6442 -6.6125 -6.6125 -6.6120 -6.6120 -3.8611 -3.8611 -3.8610 -3.8610 -0.6948 -0.6948 -0.6940 -0.6940 -0.5161 -0.5161 -0.5156 -0.5156 -0.3635 -0.3635 -0.3633 -0.3633 2.1525 2.1525 2.1531 2.1531 3.0897 3.0897 3.0910 3.0910 3.3206 3.3206 3.3222 3.3222 3.7146 3.7146 3.7151 3.7151 5.9111 5.9111 5.9141 5.9141 6.0214 6.0214 6.0239 6.0239 6.7531 6.7531 6.7534 6.7534 8.0908 8.0908 8.0938 8.0938 8.1298 8.1298 8.1354 8.1354 10.1979 10.1979 10.2058 10.2058 10.4301 10.4301 10.4359 10.4359 15.3233 15.3233 15.3235 15.3235 k = 0.0119 0.0206 1.3084 ( 4844 PWs) bands (ev): -7.0796 -7.0796 -7.0793 -7.0793 -6.6438 -6.6438 -6.6436 -6.6436 -6.6116 -6.6116 -6.6112 -6.6112 -3.8610 -3.8610 -3.8609 -3.8609 -0.6843 -0.6843 -0.6835 -0.6835 -0.5084 -0.5084 -0.5078 -0.5078 -0.3880 -0.3880 -0.3877 -0.3877 2.1550 2.1550 2.1556 2.1556 3.0939 3.0939 3.0951 3.0951 3.3284 3.3284 3.3292 3.3292 3.7125 3.7125 3.7127 3.7127 5.9086 5.9086 5.9117 5.9117 6.0199 6.0199 6.0224 6.0224 6.7584 6.7584 6.7587 6.7587 8.0881 8.0881 8.0911 8.0911 8.1267 8.1267 8.1323 8.1323 10.1892 10.1892 10.1971 10.1971 10.4224 10.4224 10.4282 10.4282 15.3338 15.3338 15.3342 15.3342 k = 0.0000 0.0000 1.3084 ( 4836 PWs) bands (ev): -7.0800 -7.0800 -7.0797 -7.0797 -6.6435 -6.6435 -6.6435 -6.6435 -6.6114 -6.6114 -6.6109 -6.6109 -3.8609 -3.8609 -3.8608 -3.8608 -0.6808 -0.6808 -0.6800 -0.6800 -0.5041 -0.5041 -0.5036 -0.5036 -0.3978 -0.3978 -0.3976 -0.3976 2.1558 2.1558 2.1564 2.1564 3.0954 3.0954 3.0964 3.0964 3.3312 3.3312 3.3316 3.3316 3.7118 3.7118 3.7119 3.7119 5.9078 5.9078 5.9108 5.9108 6.0194 6.0194 6.0219 6.0219 6.7602 6.7602 6.7605 6.7605 8.0872 8.0872 8.0902 8.0902 8.1258 8.1258 8.1314 8.1314 10.1862 10.1862 10.1941 10.1941 10.4198 10.4198 10.4257 10.4257 15.3373 15.3373 15.3377 15.3377 k = 0.5000 0.2887 1.3084 ( 4844 PWs) bands (ev): -6.9566 -6.9566 -6.9565 -6.9565 -6.7437 -6.7437 -6.7435 -6.7435 -6.6598 -6.6598 -6.6597 -6.6597 -3.8648 -3.8648 -3.8647 -3.8647 -1.1287 -1.1287 -1.1286 -1.1286 -0.1415 -0.1415 -0.1414 -0.1414 0.2474 0.2474 0.2479 0.2479 1.9084 1.9084 1.9085 1.9085 2.5635 2.5635 2.5645 2.5645 3.1950 3.1950 3.1971 3.1971 3.6418 3.6418 3.6428 3.6428 5.9344 5.9344 5.9346 5.9346 6.1989 6.1989 6.1992 6.1992 6.4989 6.4989 6.4990 6.4990 8.1841 8.1841 8.1854 8.1854 8.4956 8.4956 8.4972 8.4972 10.6289 10.6289 10.6293 10.6293 11.4202 11.4202 11.4214 11.4214 14.4404 14.4404 14.4410 14.4410 k = 0.5000 0.2887 1.2847 ( 4852 PWs) bands (ev): -6.9826 -6.9825 -6.9469 -6.9469 -6.7676 -6.7674 -6.7174 -6.7173 -6.6760 -6.6760 -6.6375 -6.6373 -3.8748 -3.8748 -3.8574 -3.8574 -1.1476 -1.1475 -1.1041 -1.1039 -0.1631 -0.1630 -0.1144 -0.1143 0.2062 0.2067 0.2940 0.2945 1.8585 1.8586 1.9552 1.9553 2.5492 2.5502 2.5850 2.5860 3.1575 3.1596 3.2331 3.2351 3.5913 3.5922 3.6918 3.6928 5.9199 5.9200 5.9296 5.9300 6.1887 6.1889 6.2179 6.2183 6.4656 6.4657 6.5391 6.5393 8.1629 8.1641 8.2046 8.2060 8.4940 8.4945 8.4957 8.4961 10.6290 10.6294 10.6351 10.6355 11.4137 11.4148 11.4309 11.4322 14.4273 14.4277 14.4464 14.4471 k = 0.5000 0.2887 1.2609 ( 4844 PWs) bands (ev): -7.0182 -7.0181 -6.9606 -6.9605 -6.7749 -6.7748 -6.7271 -6.7270 -6.6546 -6.6542 -6.6163 -6.6161 -3.8875 -3.8874 -3.8530 -3.8530 -1.1606 -1.1605 -1.0737 -1.0735 -0.1791 -0.1790 -0.0821 -0.0820 0.1708 0.1713 0.3459 0.3464 1.8059 1.8059 1.9990 1.9992 2.5427 2.5436 2.6128 2.6138 3.1212 3.1235 3.2711 3.2731 3.5406 3.5415 3.7409 3.7420 5.8885 5.8886 5.9088 5.9093 6.1811 6.1813 6.2456 6.2461 6.4437 6.4437 6.5831 6.5833 8.1413 8.1425 8.2243 8.2257 8.4899 8.4907 8.4916 8.4922 10.6354 10.6358 10.6476 10.6480 11.4116 11.4126 11.4458 11.4472 14.4103 14.4105 14.4449 14.4457 k = 0.5000 0.2887 1.2371 ( 4848 PWs) bands (ev): -7.0598 -7.0597 -6.9949 -6.9947 -6.7678 -6.7678 -6.7559 -6.7557 -6.6156 -6.6152 -6.5970 -6.5968 -3.9026 -3.9025 -3.8515 -3.8515 -1.1678 -1.1676 -1.0378 -1.0376 -0.1893 -0.1892 -0.0449 -0.0448 0.1416 0.1421 0.4029 0.4033 1.7508 1.7509 2.0398 2.0402 2.5440 2.5448 2.6453 2.6464 3.0875 3.0900 3.3086 3.3105 3.4901 3.4909 3.7890 3.7901 5.8450 5.8452 5.8770 5.8775 6.1676 6.1678 6.2784 6.2788 6.4369 6.4370 6.6288 6.6290 8.1198 8.1209 8.2429 8.2443 8.4834 8.4841 8.4851 8.4856 10.6479 10.6483 10.6665 10.6669 11.4139 11.4148 11.4648 11.4662 14.3924 14.3924 14.4387 14.4395 k = 0.5000 0.2887 1.2133 ( 4852 PWs) bands (ev): -7.1056 -7.1055 -7.0410 -7.0408 -6.7891 -6.7890 -6.7549 -6.7548 -6.5805 -6.5804 -6.5742 -6.5740 -3.9199 -3.9198 -3.8531 -3.8531 -1.1690 -1.1689 -0.9964 -0.9962 -0.1937 -0.1936 -0.0042 -0.0040 0.1196 0.1202 0.4648 0.4652 1.6940 1.6940 2.0779 2.0783 2.5529 2.5537 2.6801 2.6813 3.0582 3.0608 3.3452 3.3471 3.4403 3.4410 3.8357 3.8369 5.7938 5.7940 5.8386 5.8391 6.1443 6.1446 6.3129 6.3133 6.4454 6.4457 6.6747 6.6749 8.0987 8.0997 8.2601 8.2617 8.4745 8.4748 8.4761 8.4764 10.6664 10.6668 10.6918 10.6921 11.4206 11.4215 11.4877 11.4893 14.3751 14.3751 14.4309 14.4317 k = 0.5000 0.2887 1.1895 ( 4848 PWs) bands (ev): -7.1546 -7.1545 -7.0935 -7.0932 -6.8251 -6.8249 -6.7418 -6.7417 -6.5649 -6.5647 -6.5352 -6.5349 -3.9392 -3.9391 -3.8578 -3.8577 -1.1645 -1.1644 -0.9498 -0.9496 -0.1924 -0.1923 0.0355 0.0357 0.1097 0.1103 0.5314 0.5318 1.6359 1.6359 2.1132 2.1138 2.5692 2.5700 2.7140 2.7152 3.0362 3.0389 3.3806 3.3826 3.3917 3.3925 3.8809 3.8822 5.7376 5.7378 5.7961 5.7966 6.1128 6.1131 6.3471 6.3474 6.4654 6.4658 6.7199 6.7201 8.0785 8.0794 8.2759 8.2775 8.4627 8.4637 8.4640 8.4656 10.6909 10.6913 10.7235 10.7238 11.4319 11.4326 11.5146 11.5161 14.3592 14.3593 14.4235 14.4243 k = 0.5000 0.2887 1.1657 ( 4852 PWs) bands (ev): -7.2062 -7.2061 -7.1495 -7.1492 -6.8635 -6.8633 -6.7312 -6.7310 -6.5516 -6.5514 -6.4976 -6.4973 -3.9604 -3.9603 -3.8656 -3.8655 -1.1541 -1.1540 -0.8983 -0.8981 -0.1853 -0.1852 0.0571 0.0572 0.1285 0.1289 0.6024 0.6028 1.5774 1.5774 2.1456 2.1463 2.5924 2.5931 2.7422 2.7432 3.0258 3.0286 3.3452 3.3460 3.4148 3.4167 3.9244 3.9258 5.6778 5.6781 5.7514 5.7519 6.0764 6.0767 6.3795 6.3799 6.4924 6.4928 6.7635 6.7638 8.0595 8.0603 8.2900 8.2917 8.4479 8.4491 8.4510 8.4530 10.7213 10.7217 10.7615 10.7618 11.4477 11.4483 11.5452 11.5468 14.3452 14.3454 14.4174 14.4182 k = 0.5000 0.2887 1.1419 ( 4858 PWs) bands (ev): -7.2598 -7.2598 -7.2078 -7.2075 -6.9039 -6.9037 -6.7242 -6.7241 -6.5402 -6.5400 -6.4622 -6.4619 -3.9833 -3.9832 -3.8763 -3.8763 -1.1381 -1.1380 -0.8422 -0.8420 -0.1726 -0.1725 0.0595 0.0596 0.1769 0.1772 0.6778 0.6782 1.5190 1.5190 2.1746 2.1754 2.6219 2.6226 2.7595 2.7601 3.0318 3.0343 3.3018 3.3026 3.4475 3.4495 3.9660 3.9675 5.6156 5.6160 5.7055 5.7060 6.0377 6.0381 6.4095 6.4098 6.5228 6.5233 6.8049 6.8052 8.0422 8.0430 8.3023 8.3040 8.4304 8.4315 8.4369 8.4389 10.7573 10.7577 10.8059 10.8062 11.4681 11.4686 11.5794 11.5811 14.3333 14.3334 14.4130 14.4137 k = 0.5000 0.2887 1.1181 ( 4846 PWs) bands (ev): -7.3152 -7.3151 -7.2676 -7.2673 -6.9461 -6.9459 -6.7215 -6.7213 -6.5307 -6.5305 -6.4294 -6.4290 -4.0078 -4.0076 -3.8901 -3.8900 -1.1165 -1.1164 -0.7818 -0.7816 -0.1542 -0.1541 0.0604 0.0606 0.2369 0.2371 0.7573 0.7577 1.4615 1.4616 2.1994 2.2004 2.6573 2.6580 2.7639 2.7640 3.0556 3.0578 3.2628 3.2636 3.4788 3.4808 4.0057 4.0073 5.5518 5.5521 5.6593 5.6598 5.9984 5.9989 6.4364 6.4366 6.5547 6.5552 6.8434 6.8437 8.0272 8.0279 8.3123 8.3141 8.4105 8.4115 8.4220 8.4241 10.7989 10.7993 10.8565 10.8567 11.4931 11.4935 11.6172 11.6189 14.3233 14.3235 14.4103 14.4110 k = 0.5000 0.2887 1.0943 ( 4832 PWs) bands (ev): -7.3720 -7.3719 -7.3285 -7.3282 -6.9900 -6.9898 -6.7231 -6.7229 -6.5231 -6.5230 -6.3992 -6.3988 -4.0335 -4.0334 -3.9066 -3.9065 -1.0894 -1.0894 -0.7176 -0.7175 -0.1305 -0.1304 0.0650 0.0652 0.3030 0.3031 0.8407 0.8411 1.4058 1.4058 2.2191 2.2203 2.6979 2.6985 2.7575 2.7581 3.0938 3.0956 3.2301 3.2309 3.5087 3.5108 4.0432 4.0449 5.4867 5.4871 5.6133 5.6137 5.9597 5.9603 6.4599 6.4601 6.5867 6.5872 6.8786 6.8790 8.0148 8.0153 8.3192 8.3211 8.3881 8.3891 8.4072 8.4093 10.8459 10.8463 10.9132 10.9134 11.5227 11.5230 11.6585 11.6602 14.3153 14.3155 14.4091 14.4099 k = 0.5000 0.2887 1.0705 ( 4822 PWs) bands (ev): -7.4298 -7.4298 -7.3901 -7.3899 -7.0353 -7.0351 -6.7289 -6.7287 -6.5177 -6.5175 -6.3718 -6.3714 -4.0606 -4.0604 -3.9259 -3.9258 -1.0572 -1.0571 -0.6504 -0.6502 -0.1015 -0.1014 0.0743 0.0746 0.3737 0.3738 0.9278 0.9282 1.3527 1.3527 2.2327 2.2341 2.7426 2.7429 2.7454 2.7461 3.1407 3.1423 3.2060 3.2069 3.5374 3.5396 4.0785 4.0804 5.4209 5.4213 5.5679 5.5684 5.9223 5.9229 6.4799 6.4800 6.6178 6.6184 6.9101 6.9104 8.0053 8.0058 8.3215 8.3233 8.3636 8.3645 8.3944 8.3965 10.8982 10.8985 10.9758 10.9760 11.5569 11.5571 11.7031 11.7049 14.3090 14.3092 14.4093 14.4101 k = 0.5000 0.2887 1.0468 ( 4826 PWs) bands (ev): -7.4886 -7.4886 -7.4522 -7.4520 -7.0819 -7.0817 -6.7387 -6.7386 -6.5144 -6.5143 -6.3473 -6.3469 -4.0887 -4.0885 -3.9476 -3.9475 -1.0199 -1.0199 -0.5807 -0.5806 -0.0674 -0.0673 0.0888 0.0891 0.4483 0.4483 1.0182 1.0186 1.3031 1.3031 2.2398 2.2413 2.7275 2.7289 2.7919 2.7925 3.1824 3.1829 3.2041 3.2042 3.5652 3.5674 4.1115 4.1135 5.3547 5.3551 5.5237 5.5241 5.8865 5.8871 6.4960 6.4960 6.6476 6.6481 6.9374 6.9378 7.9990 7.9993 8.3170 8.3185 8.3370 8.3377 8.3862 8.3878 10.9555 10.9559 11.0443 11.0445 11.5957 11.5958 11.7510 11.7528 14.3042 14.3044 14.4105 14.4112 k = 0.5000 0.2887 1.0230 ( 4830 PWs) bands (ev): -7.5481 -7.5480 -7.5147 -7.5144 -7.1295 -7.1293 -6.7523 -6.7521 -6.5135 -6.5133 -6.3258 -6.3254 -4.1178 -4.1176 -3.9717 -3.9716 -0.9780 -0.9780 -0.5097 -0.5095 -0.0286 -0.0285 0.1085 0.1088 0.5260 0.5261 1.1119 1.1123 1.2583 1.2583 2.2403 2.2419 2.7069 2.7085 2.8436 2.8443 3.1861 3.1865 3.2544 3.2552 3.5925 3.5948 4.1421 4.1443 5.2885 5.2889 5.4810 5.4814 5.8527 5.8534 6.5083 6.5083 6.6755 6.6761 6.9605 6.9609 7.9961 7.9963 8.3050 8.3059 8.3085 8.3091 8.3834 8.3845 11.0178 11.0181 11.1184 11.1186 11.6392 11.6392 11.8022 11.8040 14.3005 14.3007 14.4120 14.4128 k = 0.5000 0.2887 0.9992 ( 4834 PWs) bands (ev): -7.6079 -7.6079 -7.5771 -7.5769 -7.1780 -7.1778 -6.7692 -6.7691 -6.5149 -6.5147 -6.3071 -6.3067 -4.1477 -4.1475 -3.9980 -3.9978 -0.9316 -0.9316 -0.4386 -0.4385 0.0148 0.0149 0.1336 0.1339 0.6062 0.6063 1.2084 1.2088 1.2197 1.2197 2.2351 2.2367 2.6825 2.6842 2.8972 2.8979 3.1973 3.1978 3.3124 3.3132 3.6199 3.6223 4.1705 4.1727 5.2225 5.2229 5.4403 5.4407 5.8211 5.8218 6.5167 6.5167 6.7014 6.7020 6.9792 6.9796 7.9966 7.9966 8.2783 8.2787 8.2874 8.2878 8.3843 8.3849 11.0848 11.0852 11.1980 11.1981 11.6872 11.6873 11.8564 11.8583 14.2978 14.2980 14.4135 14.4143 k = 0.5000 0.2887 0.9754 ( 4826 PWs) bands (ev): -7.6681 -7.6680 -7.6396 -7.6394 -7.2272 -7.2270 -6.7893 -6.7891 -6.5186 -6.5184 -6.2914 -6.2910 -4.1784 -4.1783 -4.0261 -4.0260 -0.8812 -0.8812 -0.3692 -0.3691 0.0623 0.0625 0.1647 0.1649 0.6879 0.6880 1.1893 1.1893 1.3075 1.3080 2.2254 2.2270 2.6546 2.6563 2.9516 2.9523 3.2204 3.2208 3.3721 3.3728 3.6483 3.6508 4.1965 4.1989 5.1572 5.1575 5.4019 5.4023 5.7919 5.7927 6.5214 6.5214 6.7250 6.7256 6.9937 6.9940 8.0000 8.0003 8.2468 8.2470 8.2664 8.2665 8.3866 8.3869 11.1564 11.1567 11.2827 11.2828 11.7398 11.7400 11.9138 11.9156 14.2956 14.2957 14.4141 14.4149 k = 0.5000 0.2887 0.9516 ( 4826 PWs) bands (ev): -7.7283 -7.7283 -7.7018 -7.7016 -7.2769 -7.2768 -6.8121 -6.8120 -6.5246 -6.5245 -6.2784 -6.2781 -4.2098 -4.2096 -4.0560 -4.0558 -0.8272 -0.8272 -0.3038 -0.3038 0.1136 0.1138 0.2023 0.2024 0.7694 0.7694 1.1697 1.1697 1.4088 1.4092 2.2130 2.2146 2.6238 2.6255 3.0054 3.0061 3.2539 3.2542 3.4328 3.4335 3.6787 3.6812 4.2202 4.2227 5.0926 5.0930 5.3662 5.3666 5.7652 5.7660 6.5224 6.5225 6.7461 6.7467 7.0040 7.0043 8.0063 8.0069 8.2141 8.2141 8.2433 8.2434 8.3893 8.3893 11.2324 11.2327 11.3724 11.3724 11.7970 11.7973 11.9742 11.9760 14.2934 14.2936 14.4132 14.4140 k = 0.5000 0.2887 0.9278 ( 4826 PWs) bands (ev): -7.7885 -7.7885 -7.7636 -7.7634 -7.3270 -7.3269 -6.8374 -6.8373 -6.5329 -6.5328 -6.2683 -6.2679 -4.2418 -4.2416 -4.0874 -4.0872 -0.7699 -0.7699 -0.2453 -0.2453 0.1683 0.1684 0.2476 0.2476 0.8478 0.8479 1.1650 1.1650 1.5116 1.5121 2.1996 2.2012 2.5912 2.5929 3.0570 3.0577 3.2952 3.2954 3.4948 3.4954 3.7123 3.7149 4.2416 4.2443 5.0293 5.0298 5.3336 5.3340 5.7409 5.7418 6.5200 6.5202 6.7646 6.7652 7.0104 7.0107 8.0149 8.0158 8.1802 8.1806 8.2191 8.2193 8.3916 8.3917 11.3125 11.3128 11.4667 11.4667 11.8587 11.8591 12.0376 12.0394 14.2909 14.2911 14.4099 14.4107 k = 0.5000 0.2887 0.9040 ( 4822 PWs) bands (ev): -7.8484 -7.8484 -7.8250 -7.8248 -7.3773 -7.3772 -6.8649 -6.8647 -6.5434 -6.5432 -6.2608 -6.2605 -4.2742 -4.2740 -4.1200 -4.1199 -0.7100 -0.7100 -0.1964 -0.1964 0.2257 0.2259 0.3018 0.3018 0.9188 0.9190 1.1804 1.1804 1.6151 1.6156 2.1874 2.1889 2.5580 2.5597 3.1050 3.1057 3.3415 3.3416 3.5583 3.5589 3.7502 3.7528 4.2609 4.2637 4.9677 4.9682 5.3047 5.3051 5.7193 5.7201 6.5145 6.5147 6.7805 6.7810 7.0133 7.0136 8.0248 8.0265 8.1460 8.1471 8.1942 8.1945 8.3935 8.3937 11.3966 11.3969 11.5653 11.5654 11.9249 11.9253 12.1039 12.1057 14.2875 14.2877 14.4033 14.4040 k = 0.5000 0.2887 0.8802 ( 4824 PWs) bands (ev): -7.9080 -7.9080 -7.8857 -7.8856 -7.4277 -7.4275 -6.8942 -6.8941 -6.5558 -6.5557 -6.2559 -6.2555 -4.3070 -4.3069 -4.1538 -4.1536 -0.6480 -0.6479 -0.1596 -0.1595 0.2855 0.2857 0.3656 0.3657 0.9784 0.9786 1.2209 1.2210 1.7178 1.7184 2.1785 2.1800 2.5254 2.5271 3.1480 3.1487 3.3899 3.3899 3.6240 3.6245 3.7935 3.7961 4.2780 4.2810 4.9083 4.9087 5.2798 5.2802 5.7001 5.7010 6.5061 6.5064 6.7937 6.7942 7.0130 7.0133 8.0341 8.0371 8.1128 8.1153 8.1690 8.1693 8.3949 8.3950 11.4845 11.4848 11.6680 11.6681 11.9954 11.9959 12.1731 12.1749 14.2828 14.2829 14.3925 14.3932 k = 0.5000 0.2887 0.8564 ( 4824 PWs) bands (ev): -7.9671 -7.9671 -7.9458 -7.9457 -7.4779 -7.4778 -6.9252 -6.9250 -6.5702 -6.5700 -6.2534 -6.2531 -4.3401 -4.3400 -4.1884 -4.1883 -0.5844 -0.5843 -0.1360 -0.1359 0.3468 0.3470 0.4392 0.4393 1.0279 1.0281 1.2855 1.2856 1.8170 1.8177 2.1764 2.1779 2.4948 2.4965 3.1851 3.1856 3.4379 3.4380 3.6925 3.6930 3.8426 3.8452 4.2930 4.2961 4.8517 4.8522 5.2594 5.2598 5.6835 5.6843 6.4952 6.4955 6.8042 6.8047 7.0099 7.0102 8.0353 8.0406 8.0874 8.0920 8.1436 8.1440 8.3956 8.3958 11.5760 11.5763 11.7744 11.7746 12.0700 12.0706 12.2451 12.2469 14.2760 14.2761 14.3767 14.3773 k = 0.5000 0.2887 0.8326 ( 4818 PWs) bands (ev): -8.0256 -8.0256 -8.0051 -8.0049 -7.5280 -7.5279 -6.9575 -6.9573 -6.5862 -6.5861 -6.2532 -6.2529 -4.3735 -4.3733 -4.2238 -4.2236 -0.5199 -0.5198 -0.1251 -0.1250 0.4091 0.4093 0.5216 0.5217 1.0743 1.0746 1.3670 1.3671 1.9069 1.9078 2.1869 2.1883 2.4678 2.4696 3.2157 3.2162 3.4834 3.4836 3.7643 3.7647 3.8973 3.8999 4.3057 4.3090 4.7992 4.7997 5.2442 5.2446 5.6693 5.6702 6.4820 6.4824 6.8121 6.8126 7.0044 7.0047 8.0162 8.0208 8.0856 8.0896 8.1183 8.1187 8.3958 8.3960 11.6707 11.6710 11.8842 11.8844 12.1487 12.1494 12.3198 12.3216 14.2667 14.2668 14.3550 14.3556 k = 0.5000 0.2887 0.8089 ( 4812 PWs) bands (ev): -8.0833 -8.0833 -8.0635 -8.0633 -7.5777 -7.5776 -6.9909 -6.9908 -6.6038 -6.6037 -6.2552 -6.2548 -4.4070 -4.4068 -4.2597 -4.2595 -0.4552 -0.4552 -0.1258 -0.1256 0.4715 0.4717 0.6113 0.6114 1.1239 1.1242 1.4584 1.4586 1.9782 1.9792 2.2180 2.2192 2.4476 2.4494 3.2402 3.2406 3.5250 3.5253 3.8393 3.8397 3.9564 3.9590 4.3158 4.3191 4.7523 4.7528 5.2347 5.2351 5.6578 5.6586 6.4671 6.4674 6.8175 6.8179 6.9967 6.9970 7.9843 7.9875 8.0930 8.0934 8.0975 8.1001 8.3954 8.3956 11.7685 11.7688 11.9970 11.9973 12.2313 12.2320 12.3972 12.3990 14.2543 14.2544 14.3266 14.3272 k = 0.5000 0.2887 0.7851 ( 4816 PWs) bands (ev): -8.1402 -8.1402 -8.1209 -8.1208 -7.6270 -7.6269 -7.0252 -7.0251 -6.6228 -6.6227 -6.2591 -6.2588 -4.4405 -4.4403 -4.2959 -4.2958 -0.3911 -0.3911 -0.1361 -0.1360 0.5331 0.5333 0.7068 0.7070 1.1798 1.1801 1.5554 1.5555 2.0248 2.0261 2.2692 2.2703 2.4418 2.4437 3.2593 3.2596 3.5618 3.5623 3.9170 3.9172 4.0178 4.0204 4.3222 4.3256 4.7137 4.7141 5.2315 5.2319 5.6487 5.6496 6.4505 6.4510 6.8203 6.8207 6.9872 6.9875 7.9485 7.9510 8.0681 8.0685 8.1123 8.1142 8.3943 8.3945 11.8690 11.8692 12.1122 12.1126 12.3174 12.3182 12.4771 12.4789 14.2381 14.2382 14.2911 14.2916 k = 0.5000 0.2887 0.7613 ( 4820 PWs) bands (ev): -8.1962 -8.1962 -8.1773 -8.1771 -7.6757 -7.6756 -7.0602 -7.0601 -6.6430 -6.6428 -6.2648 -6.2645 -4.4739 -4.4738 -4.3323 -4.3322 -0.3284 -0.3283 -0.1544 -0.1543 0.5931 0.5933 0.8070 0.8071 1.2426 1.2429 1.6555 1.6557 2.0545 2.0558 2.3144 2.3148 2.4712 2.4726 3.2742 3.2743 3.5938 3.5944 3.9963 3.9965 4.0786 4.0812 4.3235 4.3268 4.6874 4.6876 5.2352 5.2356 5.6423 5.6432 6.4328 6.4333 6.8208 6.8212 6.9761 6.9763 7.9115 7.9136 8.0434 8.0437 8.1277 8.1291 8.3927 8.3928 11.9718 11.9721 12.2296 12.2300 12.4069 12.4076 12.5595 12.5612 14.2177 14.2177 14.2479 14.2485 k = 0.5000 0.2887 0.7375 ( 4816 PWs) bands (ev): -8.2512 -8.2512 -8.2325 -8.2324 -7.7237 -7.7236 -7.0957 -7.0956 -6.6642 -6.6641 -6.2722 -6.2719 -4.5073 -4.5071 -4.3688 -4.3687 -0.2677 -0.2676 -0.1788 -0.1787 0.6504 0.6505 0.9107 0.9108 1.3122 1.3125 1.7572 1.7574 2.0783 2.0797 2.3308 2.3312 2.5479 2.5484 3.2859 3.2861 3.6211 3.6218 4.0761 4.0762 4.1350 4.1375 4.3174 4.3205 4.6782 4.6782 5.2467 5.2471 5.6388 5.6396 6.4143 6.4148 6.8190 6.8194 6.9637 6.9639 7.8740 7.8758 8.0191 8.0194 8.1430 8.1442 8.3905 8.3906 12.0766 12.0769 12.3485 12.3490 12.4993 12.5001 12.6441 12.6457 14.1926 14.1926 14.1970 14.1975 k = 0.5000 0.2887 0.7137 ( 4824 PWs) bands (ev): -8.3051 -8.3050 -8.2865 -8.2864 -7.7710 -7.7709 -7.1314 -7.1313 -6.6863 -6.6861 -6.2811 -6.2808 -4.5404 -4.5403 -4.4052 -4.4051 -0.2102 -0.2101 -0.2077 -0.2075 0.7041 0.7042 1.0171 1.0172 1.3877 1.3880 1.8595 1.8597 2.1032 2.1046 2.3348 2.3356 2.6495 2.6496 3.2960 3.2961 3.6440 3.6448 4.1547 4.1547 4.1831 4.1853 4.3033 4.3059 4.6898 4.6900 5.2666 5.2670 5.6385 5.6393 6.3952 6.3957 6.8152 6.8155 6.9501 6.9503 7.8364 7.8380 7.9951 7.9954 8.1577 8.1587 8.3878 8.3879 12.1828 12.1830 12.4683 12.4690 12.5942 12.5951 12.7307 12.7323 14.1381 14.1386 14.1624 14.1625 k = 0.5000 0.2887 0.6899 ( 4816 PWs) bands (ev): -8.3578 -8.3577 -8.3393 -8.3392 -7.8174 -7.8173 -7.1673 -7.1672 -6.7090 -6.7089 -6.2912 -6.2909 -4.5732 -4.5731 -4.4414 -4.4412 -0.2404 -0.2403 -0.1557 -0.1556 0.7532 0.7533 1.1255 1.1257 1.4681 1.4685 1.9613 1.9615 2.1321 2.1335 2.3400 2.3410 2.7607 2.7608 3.3057 3.3058 3.6632 3.6641 4.2171 4.2187 4.2308 4.2309 4.2857 4.2876 4.7226 4.7231 5.2957 5.2961 5.6419 5.6426 6.3758 6.3764 6.8095 6.8098 6.9357 6.9359 7.7987 7.8002 7.9714 7.9717 8.1718 8.1726 8.3846 8.3847 12.2896 12.2899 12.5884 12.5892 12.6913 12.6922 12.8192 12.8207 14.0716 14.0721 14.1271 14.1272 k = 0.5000 0.2887 0.6661 ( 4822 PWs) bands (ev): -8.4092 -8.4092 -8.3908 -8.3906 -7.8628 -7.8627 -7.2031 -7.2030 -6.7323 -6.7322 -6.3026 -6.3023 -4.6056 -4.6055 -4.4772 -4.4770 -0.2754 -0.2753 -0.1057 -0.1056 0.7971 0.7971 1.2354 1.2355 1.5524 1.5528 2.0618 2.0620 2.1663 2.1676 2.3513 2.3524 2.8758 2.8760 3.3164 3.3165 3.6794 3.6805 4.2204 4.2205 4.2841 4.2842 4.3030 4.3032 4.7731 4.7736 5.3346 5.3350 5.6497 5.6504 6.3564 6.3570 6.8021 6.8024 6.9206 6.9208 7.7612 7.7626 7.9482 7.9484 8.1848 8.1856 8.3810 8.3811 12.3963 12.3965 12.7078 12.7087 12.7899 12.7908 12.9090 12.9105 13.9978 13.9982 14.0868 14.0870 k = 0.5000 0.2887 0.6423 ( 4818 PWs) bands (ev): -8.4593 -8.4593 -8.4408 -8.4407 -7.9073 -7.9072 -7.2387 -7.2386 -6.7560 -6.7558 -6.3149 -6.3146 -4.6376 -4.6375 -4.5125 -4.5124 -0.3120 -0.3119 -0.0605 -0.0604 0.8351 0.8351 1.3460 1.3461 1.6396 1.6399 2.1599 2.1602 2.2060 2.2072 2.3712 2.3722 2.9922 2.9926 3.3295 3.3296 3.6939 3.6952 4.1925 4.1932 4.3008 4.3012 4.3697 4.3700 4.8353 4.8358 5.3838 5.3841 5.6630 5.6636 6.3372 6.3378 6.7933 6.7935 6.9051 6.9053 7.7241 7.7253 7.9253 7.9255 8.1969 8.1975 8.3770 8.3771 12.5014 12.5017 12.8256 12.8266 12.8894 12.8903 12.9998 13.0011 13.9175 13.9179 14.0421 14.0424 k = 0.5000 0.2887 0.6185 ( 4804 PWs) bands (ev): -8.5080 -8.5080 -8.4895 -8.4893 -7.9506 -7.9505 -7.2739 -7.2738 -6.7799 -6.7797 -6.3280 -6.3277 -4.6691 -4.6689 -4.5473 -4.5472 -0.3496 -0.3495 -0.0203 -0.0203 0.8668 0.8668 1.4568 1.4569 1.7286 1.7289 2.2499 2.2505 2.2558 2.2559 2.4013 2.4021 3.1080 3.1085 3.3464 3.3466 3.7080 3.7095 4.1560 4.1569 4.3196 4.3200 4.4304 4.4307 4.9035 4.9038 5.4433 5.4435 5.6833 5.6838 6.3185 6.3191 6.7832 6.7834 6.8893 6.8894 7.6872 7.6884 7.9027 7.9029 8.2079 8.2085 8.3727 8.3727 12.6034 12.6036 12.9402 12.9415 12.9890 12.9899 13.0904 13.0916 13.8319 13.8323 13.9944 13.9947 k = 0.5000 0.2887 0.5947 ( 4804 PWs) bands (ev): -8.5553 -8.5553 -8.5366 -8.5365 -7.9928 -7.9927 -7.3087 -7.3086 -6.8039 -6.8037 -6.3418 -6.3415 -4.6999 -4.6998 -4.5814 -4.5813 -0.3876 -0.3876 0.0145 0.0145 0.8921 0.8922 1.5668 1.5669 1.8186 1.8189 2.2989 2.2996 2.3459 2.3462 2.4425 2.4432 3.2209 3.2215 3.3686 3.3687 3.7240 3.7256 4.1173 4.1180 4.3375 4.3377 4.4843 4.4847 4.9721 4.9723 5.5127 5.5129 5.7122 5.7127 6.3003 6.3009 6.7722 6.7724 6.8735 6.8736 7.6509 7.6520 7.8805 7.8806 8.2178 8.2183 8.3680 8.3680 12.6995 12.6997 13.0500 13.0515 13.0877 13.0887 13.1788 13.1798 13.7438 13.7441 13.9455 13.9460 k = 0.5000 0.2887 0.5710 ( 4806 PWs) bands (ev): -8.6011 -8.6011 -8.5822 -8.5821 -8.0338 -8.0337 -7.3429 -7.3428 -6.8278 -6.8277 -6.3561 -6.3559 -4.7300 -4.7299 -4.6148 -4.6147 -0.4257 -0.4257 0.0439 0.0440 0.9113 0.9114 1.6751 1.6751 1.9090 1.9094 2.3507 2.3511 2.4317 2.4321 2.4951 2.4955 3.3275 3.3284 3.3973 3.3974 3.7452 3.7470 4.0781 4.0788 4.3549 4.3549 4.5316 4.5321 5.0368 5.0369 5.5911 5.5913 5.7516 5.7520 6.2830 6.2836 6.7605 6.7607 6.8580 6.8581 7.6150 7.6160 7.8585 7.8587 8.2265 8.2269 8.3630 8.3630 12.7859 12.7861 13.1515 13.1533 13.1844 13.1855 13.2602 13.2609 13.6599 13.6601 13.8990 13.8996 k = 0.5000 0.2887 0.5472 ( 4802 PWs) bands (ev): -8.6454 -8.6454 -8.6262 -8.6261 -8.0734 -8.0733 -7.3764 -7.3763 -6.8516 -6.8515 -6.3708 -6.3706 -4.7594 -4.7593 -4.6473 -4.6472 -0.4636 -0.4635 0.0682 0.0682 0.9247 0.9249 1.7799 1.7799 1.9998 2.0002 2.4054 2.4055 2.5120 2.5124 2.5581 2.5582 3.4229 3.4238 3.4338 3.4338 3.7771 3.7792 4.0396 4.0402 4.3724 4.3725 4.5726 4.5731 5.0943 5.0943 5.6773 5.6774 5.8029 5.8033 6.2667 6.2674 6.7485 6.7486 6.8431 6.8431 7.5796 7.5806 7.8369 7.8370 8.2340 8.2344 8.3578 8.3578 12.8574 12.8574 13.2324 13.2343 13.2779 13.2790 13.3261 13.3263 13.5991 13.5994 13.8598 13.8605 k = 0.5000 0.2887 0.5234 ( 4814 PWs) bands (ev): -8.6880 -8.6880 -8.6687 -8.6686 -8.1118 -8.1117 -7.4090 -7.4090 -6.8751 -6.8750 -6.3858 -6.3856 -4.7880 -4.7879 -4.6790 -4.6789 -0.5008 -0.5008 0.0875 0.0876 0.9328 0.9330 1.8791 1.8792 2.0913 2.0917 2.4629 2.4629 2.5865 2.5870 2.6297 2.6297 3.4782 3.4783 3.5006 3.5016 3.8268 3.8289 4.0023 4.0028 4.3909 4.3912 4.6078 4.6084 5.1423 5.1424 5.7694 5.7695 5.8667 5.8670 6.2518 6.2525 6.7365 6.7366 6.8292 6.8292 7.5449 7.5458 7.8154 7.8156 8.2405 8.2408 8.3523 8.3523 12.9067 12.9067 13.2443 13.2452 13.3666 13.3676 13.3884 13.3889 13.5949 13.5960 13.8343 13.8353 k = 0.5000 0.2887 0.4996 ( 4818 PWs) bands (ev): -8.7291 -8.7291 -8.7094 -8.7093 -8.1487 -8.1486 -7.4408 -7.4407 -6.8982 -6.8981 -6.4010 -6.4007 -4.8158 -4.8157 -4.7096 -4.7095 -0.5373 -0.5373 0.1023 0.1023 0.9364 0.9366 1.9701 1.9701 2.1845 2.1848 2.5230 2.5232 2.6555 2.6561 2.7080 2.7082 3.5312 3.5313 3.5570 3.5578 3.8982 3.9002 3.9668 3.9673 4.4111 4.4115 4.6380 4.6387 5.1806 5.1808 5.8651 5.8651 5.9420 5.9422 6.2390 6.2397 6.7251 6.7252 6.8170 6.8170 7.5108 7.5117 7.7943 7.7944 8.2458 8.2461 8.3466 8.3467 12.9270 12.9271 13.1736 13.1737 13.4483 13.4493 13.4638 13.4646 13.6419 13.6434 13.8291 13.8302 k = 0.5000 0.2887 0.4758 ( 4818 PWs) bands (ev): -8.7684 -8.7684 -8.7485 -8.7484 -8.1842 -8.1841 -7.4716 -7.4715 -6.9209 -6.9208 -6.4161 -6.4159 -4.8425 -4.8424 -4.7392 -4.7391 -0.5729 -0.5728 0.1130 0.1130 0.9360 0.9362 2.0502 2.0503 2.2802 2.2804 2.5851 2.5854 2.7199 2.7204 2.7916 2.7919 3.5914 3.5915 3.5968 3.5970 3.9336 3.9342 3.9875 3.9894 4.4336 4.4340 4.6641 4.6648 5.2101 5.2102 5.9609 5.9610 6.0266 6.0268 6.2297 6.2305 6.7151 6.7151 6.8073 6.8074 7.4775 7.4783 7.7734 7.7735 8.2500 8.2503 8.3408 8.3409 12.9146 12.9149 13.0668 13.0670 13.5204 13.5214 13.5374 13.5384 13.7042 13.7059 13.8473 13.8485 k = 0.5000 0.2887 0.4520 ( 4824 PWs) bands (ev): -8.8061 -8.8060 -8.7859 -8.7858 -8.2182 -8.2182 -7.5013 -7.5012 -6.9430 -6.9429 -6.4311 -6.4309 -4.8684 -4.8683 -4.7677 -4.7676 -0.6073 -0.6072 0.1201 0.1201 0.9324 0.9326 2.1181 2.1181 2.3785 2.3787 2.6481 2.6484 2.7805 2.7811 2.8790 2.8794 3.6260 3.6261 3.6586 3.6588 3.9036 3.9043 4.0874 4.0890 4.4587 4.4591 4.6868 4.6876 5.2320 5.2322 6.0498 6.0499 6.1175 6.1176 6.2287 6.2294 6.7077 6.7077 6.8015 6.8017 7.4450 7.4458 7.7528 7.7529 8.2532 8.2534 8.3349 8.3350 12.8715 12.8718 12.9453 12.9456 13.5793 13.5804 13.6025 13.6035 13.7638 13.7656 13.8865 13.8878 k = 0.5000 0.2887 0.4282 ( 4820 PWs) bands (ev): -8.8419 -8.8419 -8.8215 -8.8214 -8.2507 -8.2506 -7.5299 -7.5298 -6.9644 -6.9643 -6.4460 -6.4458 -4.8931 -4.8930 -4.7950 -4.7949 -0.6404 -0.6404 0.1241 0.1241 0.9262 0.9264 2.1736 2.1737 2.4784 2.4786 2.7104 2.7107 2.8383 2.8389 2.9692 2.9696 3.6528 3.6530 3.7279 3.7283 3.8791 3.8799 4.1915 4.1930 4.4867 4.4872 4.7073 4.7081 5.2482 5.2483 6.1140 6.1140 6.2104 6.2105 6.2504 6.2509 6.7049 6.7050 6.8020 6.8022 7.4134 7.4142 7.7326 7.7327 8.2554 8.2556 8.3288 8.3289 12.8033 12.8036 12.8159 12.8162 13.6218 13.6230 13.6550 13.6561 13.8137 13.8156 13.9401 13.9414 k = 0.5000 0.2887 0.4044 ( 4820 PWs) bands (ev): -8.8761 -8.8761 -8.8553 -8.8552 -8.2816 -8.2816 -7.5572 -7.5571 -6.9850 -6.9849 -6.4605 -6.4603 -4.9168 -4.9167 -4.8210 -4.8210 -0.6722 -0.6722 0.1255 0.1255 0.9179 0.9181 2.2177 2.2178 2.5782 2.5783 2.7704 2.7706 2.8941 2.8946 3.0610 3.0615 3.6807 3.6811 3.7872 3.7881 3.8713 3.8726 4.2956 4.2969 4.5180 4.5185 4.7269 4.7277 5.2598 5.2600 6.1372 6.1376 6.2996 6.2997 6.3063 6.3065 6.7107 6.7108 6.8120 6.8123 7.3830 7.3837 7.7127 7.7128 8.2567 8.2569 8.3227 8.3228 12.6812 12.6816 12.7170 12.7174 13.6455 13.6466 13.6915 13.6924 13.8514 13.8534 13.9992 14.0006 k = 0.5000 0.2887 0.3806 ( 4820 PWs) bands (ev): -8.9084 -8.9084 -8.8873 -8.8873 -8.3110 -8.3109 -7.5833 -7.5832 -7.0048 -7.0048 -6.4747 -6.4745 -4.9394 -4.9393 -4.8459 -4.8458 -0.7025 -0.7025 0.1248 0.1248 0.9082 0.9084 2.2519 2.2520 2.6759 2.6760 2.8262 2.8264 2.9484 2.9488 3.1539 3.1543 3.7123 3.7129 3.8013 3.8020 3.9154 3.9165 4.3957 4.3970 4.5525 4.5531 4.7477 4.7486 5.2682 5.2683 6.1386 6.1391 6.3715 6.3716 6.3771 6.3773 6.7318 6.7319 6.8367 6.8371 7.3539 7.3546 7.6933 7.6933 8.2571 8.2573 8.3165 8.3167 12.5435 12.5440 12.6175 12.6179 13.6493 13.6504 13.7084 13.7092 13.8770 13.8790 14.0551 14.0564 k = 0.5000 0.2887 0.3568 ( 4824 PWs) bands (ev): -8.9388 -8.9388 -8.9175 -8.9175 -8.3387 -8.3386 -7.6080 -7.6080 -7.0238 -7.0237 -6.4884 -6.4882 -4.9607 -4.9607 -4.8694 -4.8693 -0.7313 -0.7313 0.1224 0.1224 0.8974 0.8976 2.2777 2.2778 2.7692 2.7693 2.8765 2.8766 3.0015 3.0017 3.2471 3.2475 3.7494 3.7501 3.7909 3.7913 3.9892 3.9900 4.4870 4.4884 4.5902 4.5908 4.7737 4.7746 5.2741 5.2742 6.1333 6.1339 6.4250 6.4252 6.4333 6.4334 6.7762 6.7763 6.8804 6.8808 7.3268 7.3274 7.6744 7.6745 8.2567 8.2569 8.3103 8.3104 12.4038 12.4043 12.5092 12.5096 13.6342 13.6352 13.7044 13.7051 13.8919 13.8937 14.0996 14.1009 k = 0.5000 0.2887 0.3331 ( 4826 PWs) bands (ev): -8.9675 -8.9675 -8.9459 -8.9458 -8.3647 -8.3647 -7.6314 -7.6314 -7.0418 -7.0417 -6.5015 -6.5014 -4.9809 -4.9809 -4.8915 -4.8915 -0.7585 -0.7585 0.1186 0.1187 0.8860 0.8862 2.2967 2.2968 2.8555 2.8559 2.9200 2.9200 3.0540 3.0540 3.3399 3.3403 3.7798 3.7800 3.7924 3.7932 4.0679 4.0685 4.5623 4.5636 4.6309 4.6316 4.8113 4.8121 5.2783 5.2784 6.1262 6.1268 6.4603 6.4606 6.4650 6.4651 6.8459 6.8460 6.9432 6.9437 7.3028 7.3034 7.6564 7.6564 8.2556 8.2557 8.3040 8.3042 12.2634 12.2639 12.3950 12.3955 13.6024 13.6033 13.6808 13.6815 13.8968 13.8984 14.1264 14.1277 k = 0.5000 0.2887 0.3093 ( 4826 PWs) bands (ev): -8.9942 -8.9942 -8.9724 -8.9723 -8.3891 -8.3890 -7.6533 -7.6533 -7.0588 -7.0587 -6.5141 -6.5139 -4.9999 -4.9998 -4.9123 -4.9122 -0.7840 -0.7840 0.1139 0.1139 0.8743 0.8745 2.3102 2.3104 2.9324 2.9330 2.9564 2.9564 3.1060 3.1062 3.4319 3.4322 3.7730 3.7732 3.8412 3.8421 4.1464 4.1470 4.6150 4.6160 4.6742 4.6749 4.8668 4.8673 5.2813 5.2813 6.1185 6.1192 6.4779 6.4782 6.4794 6.4794 6.9339 6.9341 7.0180 7.0185 7.2851 7.2857 7.6394 7.6394 8.2538 8.2539 8.2977 8.2979 12.1231 12.1236 12.2775 12.2779 13.5572 13.5580 13.6413 13.6420 13.8922 13.8935 14.1327 14.1339 k = 0.5000 0.2887 0.2855 ( 4826 PWs) bands (ev): -9.0190 -9.0190 -8.9969 -8.9969 -8.4117 -8.4117 -7.6738 -7.6738 -7.0747 -7.0746 -6.5259 -6.5258 -5.0175 -5.0175 -4.9317 -4.9316 -0.8078 -0.8078 0.1086 0.1086 0.8626 0.8628 2.3195 2.3196 2.9855 2.9857 2.9979 2.9987 3.1578 3.1583 3.5225 3.5227 3.7725 3.7727 3.8949 3.8958 4.2228 4.2233 4.6457 4.6463 4.7197 4.7202 4.9388 4.9391 5.2835 5.2835 6.1108 6.1115 6.4805 6.4806 6.4864 6.4866 7.0313 7.0314 7.0892 7.0895 7.2836 7.2840 7.6239 7.6240 8.2514 8.2515 8.2913 8.2916 11.9841 11.9846 12.1586 12.1590 13.5023 13.5030 13.5903 13.5909 13.8787 13.8798 14.1196 14.1206 k = 0.5000 0.2887 0.2617 ( 4834 PWs) bands (ev): -9.0419 -9.0419 -9.0196 -9.0196 -8.4326 -8.4326 -7.6928 -7.6928 -7.0895 -7.0895 -6.5370 -6.5369 -5.0339 -5.0338 -4.9496 -4.9495 -0.8298 -0.8298 0.1028 0.1028 0.8512 0.8513 2.3255 2.3256 3.0086 3.0088 3.0509 3.0519 3.2079 3.2086 3.6110 3.6112 3.7799 3.7801 3.9522 3.9531 4.2956 4.2961 4.6616 4.6618 4.7665 4.7668 5.0197 5.0197 5.2852 5.2852 6.1032 6.1039 6.4771 6.4772 6.4862 6.4863 7.1292 7.1294 7.1320 7.1323 7.3197 7.3197 7.6108 7.6108 8.2485 8.2486 8.2849 8.2852 11.8475 11.8480 12.0399 12.0403 13.4411 13.4417 13.5320 13.5326 13.8575 13.8584 14.0911 14.0921 k = 0.5000 0.2887 0.2379 ( 4834 PWs) bands (ev): -9.0629 -9.0629 -9.0404 -9.0403 -8.4518 -8.4518 -7.7102 -7.7102 -7.1032 -7.1031 -6.5474 -6.5472 -5.0489 -5.0488 -4.9660 -4.9660 -0.8501 -0.8500 0.0969 0.0969 0.8401 0.8403 2.3290 2.3291 3.0262 3.0264 3.0931 3.0941 3.2536 3.2544 3.6967 3.6968 3.7960 3.7962 4.0114 4.0123 4.3638 4.3643 4.6685 4.6685 4.8139 4.8141 5.1029 5.1029 5.2867 5.2868 6.0958 6.0966 6.4708 6.4709 6.4815 6.4817 7.1339 7.1342 7.2289 7.2290 7.3954 7.3957 7.6016 7.6017 8.2453 8.2453 8.2785 8.2787 11.7144 11.7149 11.9232 11.9236 13.3769 13.3774 13.4699 13.4704 13.8303 13.8311 14.0524 14.0532 k = 0.5000 0.2887 0.2141 ( 4834 PWs) bands (ev): -9.0819 -9.0819 -9.0592 -9.0592 -8.4692 -8.4692 -7.7261 -7.7260 -7.1156 -7.1156 -6.5568 -6.5567 -5.0625 -5.0625 -4.9810 -4.9809 -0.8685 -0.8684 0.0910 0.0910 0.8297 0.8298 2.3307 2.3308 3.0393 3.0395 3.1264 3.1274 3.2921 3.2928 3.7788 3.7790 3.8210 3.8213 4.0709 4.0717 4.4266 4.4270 4.6696 4.6697 4.8611 4.8612 5.1845 5.1847 5.2881 5.2882 6.0887 6.0894 6.4631 6.4632 6.4742 6.4744 7.1219 7.1222 7.3182 7.3182 7.4879 7.4882 7.6001 7.6002 8.2418 8.2418 8.2719 8.2721 11.5860 11.5865 11.8099 11.8103 13.3122 13.3127 13.4068 13.4073 13.7990 13.7997 14.0080 14.0087 k = 0.5000 0.2887 0.1903 ( 4822 PWs) bands (ev): -9.0990 -9.0990 -9.0761 -9.0760 -8.4848 -8.4848 -7.7403 -7.7403 -7.1269 -7.1268 -6.5654 -6.5653 -5.0748 -5.0748 -4.9944 -4.9943 -0.8850 -0.8850 0.0853 0.0854 0.8201 0.8202 2.3312 2.3313 3.0489 3.0491 3.1528 3.1537 3.3222 3.3229 3.8524 3.8532 3.8573 3.8582 4.1291 4.1299 4.4830 4.4834 4.6668 4.6670 4.9074 4.9075 5.2621 5.2627 5.2897 5.2901 6.0819 6.0826 6.4548 6.4549 6.4655 6.4656 7.1051 7.1055 7.3900 7.3900 7.5837 7.5841 7.6135 7.6137 8.2381 8.2382 8.2651 8.2654 11.4638 11.4643 11.7017 11.7021 13.2494 13.2499 13.3452 13.3456 13.7656 13.7662 13.9615 13.9621 k = 0.5000 0.2887 0.1665 ( 4826 PWs) bands (ev): -9.1141 -9.1141 -9.0910 -9.0910 -8.4986 -8.4986 -7.7530 -7.7529 -7.1369 -7.1368 -6.5731 -6.5730 -5.0857 -5.0857 -5.0063 -5.0062 -0.8996 -0.8996 0.0800 0.0800 0.8113 0.8114 2.3308 2.3308 3.0557 3.0559 3.1736 3.1743 3.3443 3.3449 3.8912 3.8913 3.9298 3.9299 4.1847 4.1854 4.5326 4.5329 4.6609 4.6612 4.9518 4.9518 5.2906 5.2907 5.3360 5.3360 6.0753 6.0759 6.4466 6.4467 6.4561 6.4562 7.0874 7.0878 7.4339 7.4340 7.6507 7.6509 7.6775 7.6779 8.2344 8.2345 8.2581 8.2583 11.3492 11.3497 11.6002 11.6005 13.1903 13.1906 13.2869 13.2873 13.7318 13.7322 13.9158 13.9162 k = 0.5000 0.2887 0.1427 ( 4826 PWs) bands (ev): -9.1272 -9.1272 -9.1039 -9.1039 -8.5106 -8.5106 -7.7639 -7.7639 -7.1456 -7.1456 -6.5798 -6.5797 -5.0952 -5.0951 -5.0166 -5.0166 -0.9123 -0.9123 0.0752 0.0752 0.8035 0.8036 2.3299 2.3299 3.0605 3.0606 3.1898 3.1905 3.3600 3.3605 3.9311 3.9311 3.9965 3.9967 4.2363 4.2370 4.5750 4.5752 4.6526 4.6530 4.9934 4.9934 5.2922 5.2922 5.4022 5.4024 6.0689 6.0695 6.4388 6.4389 6.4467 6.4468 7.0704 7.0707 7.4518 7.4519 7.7089 7.7091 7.7655 7.7659 8.2308 8.2308 8.2506 8.2509 11.2439 11.2444 11.5070 11.5074 13.1363 13.1366 13.2335 13.2338 13.6992 13.6996 13.8728 13.8731 k = 0.5000 0.2887 0.1189 ( 4826 PWs) bands (ev): -9.1382 -9.1382 -9.1149 -9.1149 -8.5207 -8.5207 -7.7733 -7.7733 -7.1530 -7.1530 -6.5855 -6.5855 -5.1032 -5.1032 -5.0254 -5.0253 -0.9231 -0.9231 0.0709 0.0709 0.7968 0.7969 2.3287 2.3287 3.0637 3.0639 3.2023 3.2028 3.3708 3.3712 3.9700 3.9700 4.0563 4.0564 4.2831 4.2837 4.6100 4.6100 4.6423 4.6428 5.0314 5.0314 5.2934 5.2934 5.4613 5.4615 6.0627 6.0633 6.4317 6.4318 6.4377 6.4377 7.0549 7.0552 7.4559 7.4560 7.7744 7.7745 7.8456 7.8459 8.2274 8.2274 8.2427 8.2430 11.1499 11.1503 11.4241 11.4243 13.0886 13.0889 13.1863 13.1866 13.6693 13.6695 13.8342 13.8345 k = 0.5000 0.2887 0.0952 ( 4826 PWs) bands (ev): -9.1473 -9.1473 -9.1239 -9.1239 -8.5291 -8.5290 -7.7809 -7.7809 -7.1591 -7.1591 -6.5902 -6.5902 -5.1098 -5.1098 -5.0326 -5.0325 -0.9320 -0.9320 0.0673 0.0673 0.7913 0.7913 2.3275 2.3275 3.0659 3.0660 3.2116 3.2120 3.3782 3.3785 4.0054 4.0054 4.1079 4.1080 4.3240 4.3246 4.6301 4.6304 4.6380 4.6389 5.0647 5.0648 5.2941 5.2942 5.5118 5.5120 6.0571 6.0576 6.4256 6.4257 6.4295 6.4296 7.0414 7.0417 7.4546 7.4546 7.8372 7.8373 7.9153 7.9156 8.2243 8.2243 8.2343 8.2346 11.0691 11.0694 11.3530 11.3532 13.0483 13.0485 13.1464 13.1466 13.6431 13.6434 13.8012 13.8014 k = 0.5000 0.2887 0.0714 ( 4828 PWs) bands (ev): -9.1544 -9.1544 -9.1309 -9.1308 -8.5355 -8.5355 -7.7869 -7.7869 -7.1638 -7.1638 -6.5939 -6.5939 -5.1149 -5.1149 -5.0382 -5.0381 -0.9389 -0.9389 0.0645 0.0645 0.7869 0.7869 2.3264 2.3264 3.0672 3.0673 3.2184 3.2187 3.3831 3.3833 4.0350 4.0351 4.1501 4.1503 4.3583 4.3587 4.6184 4.6186 4.6588 4.6590 5.0924 5.0925 5.2944 5.2945 5.5528 5.5530 6.0520 6.0524 6.4206 6.4207 6.4227 6.4227 7.0305 7.0307 7.4516 7.4516 7.8920 7.8920 7.9725 7.9727 8.2216 8.2217 8.2257 8.2260 11.0034 11.0036 11.2955 11.2957 13.0162 13.0164 13.1145 13.1146 13.6218 13.6220 13.7746 13.7748 k = 0.5000 0.2887 0.0476 ( 4822 PWs) bands (ev): -9.1594 -9.1594 -9.1359 -9.1358 -8.5402 -8.5402 -7.7912 -7.7912 -7.1672 -7.1672 -6.5966 -6.5965 -5.1186 -5.1186 -5.0422 -5.0421 -0.9438 -0.9438 0.0624 0.0624 0.7837 0.7837 2.3256 2.3256 3.0681 3.0681 3.2229 3.2231 3.3862 3.3863 4.0574 4.0574 4.1817 4.1818 4.3849 4.3852 4.6071 4.6073 4.6733 4.6734 5.1134 5.1134 5.2943 5.2943 5.5832 5.5833 6.0480 6.0483 6.4169 6.4170 6.4176 6.4176 7.0224 7.0226 7.4487 7.4488 7.9349 7.9349 8.0152 8.0153 8.2174 8.2175 8.2198 8.2200 10.9548 10.9550 11.2532 11.2533 12.9929 12.9930 13.0912 13.0913 13.6061 13.6062 13.7552 13.7553 k = 0.5000 0.2887 0.0238 ( 4820 PWs) bands (ev): -9.1625 -9.1625 -9.1389 -9.1388 -8.5430 -8.5430 -7.7937 -7.7937 -7.1693 -7.1693 -6.5981 -6.5981 -5.1208 -5.1208 -5.0446 -5.0446 -0.9467 -0.9467 0.0611 0.0611 0.7818 0.7818 2.3250 2.3250 3.0685 3.0685 3.2255 3.2256 3.3879 3.3880 4.0713 4.0713 4.2012 4.2013 4.4021 4.4023 4.5987 4.5988 4.6818 4.6818 5.1266 5.1266 5.2939 5.2940 5.6019 5.6020 6.0454 6.0456 6.4141 6.4142 6.4148 6.4149 7.0175 7.0176 7.4468 7.4468 7.9628 7.9628 8.0416 8.0417 8.2113 8.2113 8.2184 8.2184 10.9250 10.9250 11.2272 11.2273 12.9787 12.9787 13.0771 13.0772 13.5964 13.5965 13.7434 13.7435 k = 0.5000 0.2887-0.0000 ( 4814 PWs) bands (ev): -9.1635 -9.1635 -9.1399 -9.1399 -8.5439 -8.5439 -7.7946 -7.7946 -7.1700 -7.1700 -6.5987 -6.5987 -5.1215 -5.1215 -5.0454 -5.0454 -0.9477 -0.9477 0.0607 0.0607 0.7812 0.7812 2.3249 2.3249 3.0687 3.0687 3.2264 3.2264 3.3885 3.3885 4.0760 4.0760 4.2079 4.2079 4.4082 4.4082 4.5956 4.5956 4.6846 4.6846 5.1311 5.1311 5.2938 5.2938 5.6082 5.6082 6.0446 6.0446 6.4131 6.4131 6.4141 6.4141 7.0159 7.0159 7.4461 7.4461 7.9725 7.9725 8.0506 8.0506 8.2089 8.2089 8.2179 8.2179 10.9149 10.9149 11.2185 11.2185 12.9740 12.9740 13.0724 13.0724 13.5932 13.5932 13.7395 13.7395 k = 0.3333 0.5774-0.0000 ( 4821 PWs) bands (ev): -9.0086 -9.0086 -8.9964 -8.9963 -8.9953 -8.9953 -7.4116 -7.4116 -7.4110 -7.4107 -6.6059 -6.6059 -5.0481 -5.0481 -5.0469 -5.0466 -1.1438 -1.1438 0.4077 0.4077 0.4081 0.4084 2.4501 2.4501 3.0266 3.0275 3.0290 3.0290 4.1056 4.1056 4.1718 4.1774 4.1774 4.1836 4.3865 4.3916 4.3916 4.3977 4.4624 4.4624 5.2161 5.2174 5.2174 5.2184 5.6091 5.6091 6.0813 6.0813 6.4303 6.4314 6.4333 6.4333 7.1836 7.1836 7.5079 7.5079 7.9168 7.9189 7.9217 7.9217 8.0246 8.0258 8.0258 8.0270 11.1247 11.1247 11.1267 11.1277 13.0195 13.0195 13.2685 13.2698 13.2724 13.2724 13.9423 13.9423 k = 0.3333 0.5774 0.0238 ( 4827 PWs) bands (ev): -9.0077 -9.0077 -8.9954 -8.9952 -8.9944 -8.9942 -7.4110 -7.4108 -7.4103 -7.4099 -6.6054 -6.6054 -5.0477 -5.0471 -5.0464 -5.0457 -1.1428 -1.1428 0.4056 0.4062 0.4108 0.4113 2.4506 2.4506 3.0234 3.0253 3.0298 3.0317 4.0995 4.0996 4.1561 4.1568 4.1881 4.1894 4.3650 4.3651 4.4160 4.4172 4.4634 4.4634 5.2037 5.2038 5.2254 5.2255 5.6018 5.6018 6.0841 6.0842 6.4308 6.4319 6.4338 6.4338 7.1847 7.1847 7.5090 7.5091 7.9124 7.9165 7.9217 7.9255 8.0152 8.0154 8.0224 8.0227 11.1320 11.1345 11.1359 11.1384 13.0242 13.0243 13.2715 13.2748 13.2754 13.2785 13.9446 13.9446 k = 0.3333 0.5774 0.0476 ( 4839 PWs) bands (ev): -9.0047 -9.0047 -8.9925 -8.9922 -8.9915 -8.9911 -7.4088 -7.4084 -7.4081 -7.4076 -6.6038 -6.6038 -5.0457 -5.0446 -5.0444 -5.0432 -1.1397 -1.1397 0.4045 0.4050 0.4148 0.4154 2.4523 2.4523 3.0188 3.0207 3.0317 3.0336 4.0816 4.0818 4.1278 4.1281 4.1859 4.1865 4.3396 4.3399 4.4367 4.4376 4.4662 4.4663 5.1848 5.1849 5.2282 5.2283 5.5802 5.5803 6.0923 6.0924 6.4321 6.4332 6.4350 6.4353 7.1880 7.1880 7.5126 7.5127 7.9047 7.9086 7.9223 7.9261 7.9929 7.9931 8.0067 8.0070 11.1576 11.1602 11.1653 11.1677 13.0383 13.0384 13.2823 13.2855 13.2898 13.2931 13.9513 13.9514 k = 0.3333 0.5774 0.0714 ( 4839 PWs) bands (ev): -8.9998 -8.9998 -8.9877 -8.9871 -8.9866 -8.9861 -7.4051 -7.4045 -7.4044 -7.4038 -6.6012 -6.6011 -5.0422 -5.0409 -5.0406 -5.0392 -1.1345 -1.1344 0.4043 0.4049 0.4199 0.4205 2.4550 2.4551 3.0131 3.0149 3.0327 3.0346 4.0526 4.0529 4.0918 4.0920 4.1673 4.1675 4.3190 4.3196 4.4527 4.4537 4.4705 4.4705 5.1610 5.1611 5.2261 5.2263 5.5461 5.5462 6.1045 6.1047 6.4341 6.4354 6.4368 6.4377 7.1934 7.1935 7.5185 7.5187 7.8906 7.8943 7.9104 7.9136 7.9689 7.9699 7.9837 7.9838 11.2005 11.2032 11.2120 11.2142 13.0615 13.0617 13.3013 13.3043 13.3125 13.3158 13.9621 13.9623 k = 0.3333 0.5774 0.0952 ( 4839 PWs) bands (ev): -8.9930 -8.9929 -8.9808 -8.9801 -8.9797 -8.9790 -7.3999 -7.3992 -7.3991 -7.3984 -6.5975 -6.5974 -5.0372 -5.0359 -5.0351 -5.0337 -1.1272 -1.1272 0.4050 0.4055 0.4260 0.4266 2.4588 2.4588 3.0060 3.0077 3.0327 3.0346 4.0137 4.0140 4.0490 4.0492 4.1314 4.1316 4.3041 4.3049 4.4634 4.4646 4.4753 4.4754 5.1331 5.1331 5.2196 5.2198 5.5011 5.5012 6.1192 6.1195 6.4363 6.4386 6.4389 6.4411 7.2010 7.2011 7.5266 7.5269 7.8622 7.8651 7.8697 7.8714 7.9604 7.9631 7.9632 7.9632 11.2595 11.2622 11.2745 11.2766 13.0933 13.0936 13.3278 13.3308 13.3431 13.3463 13.9767 13.9769 k = 0.3333 0.5774 0.1189 ( 4839 PWs) bands (ev): -8.9841 -8.9841 -8.9720 -8.9711 -8.9709 -8.9700 -7.3932 -7.3924 -7.3923 -7.3915 -6.5928 -6.5927 -5.0308 -5.0295 -5.0280 -5.0267 -1.1178 -1.1178 0.4065 0.4070 0.4331 0.4336 2.4634 2.4635 2.9973 2.9989 3.0317 3.0335 3.9658 3.9661 3.9998 4.0000 4.0815 4.0818 4.2922 4.2932 4.4684 4.4698 4.4802 4.4803 5.1019 5.1019 5.2094 5.2096 5.4467 5.4468 6.1353 6.1356 6.4384 6.4409 6.4425 6.4451 7.2105 7.2106 7.5368 7.5371 7.8066 7.8080 7.8144 7.8162 7.9499 7.9517 7.9637 7.9665 11.3330 11.3356 11.3512 11.3532 13.1332 13.1335 13.3614 13.3642 13.3807 13.3840 13.9941 13.9944 k = 0.3333 0.5774 0.1427 ( 4833 PWs) bands (ev): -8.9734 -8.9733 -8.9612 -8.9601 -8.9601 -8.9591 -7.3850 -7.3843 -7.3839 -7.3832 -6.5871 -6.5870 -5.0228 -5.0216 -5.0196 -5.0182 -1.1064 -1.1064 0.4087 0.4091 0.4410 0.4416 2.4688 2.4689 2.9866 2.9880 3.0292 3.0310 3.9100 3.9104 3.9446 3.9449 4.0212 4.0217 4.2802 4.2812 4.4672 4.4687 4.4845 4.4846 5.0689 5.0689 5.1963 5.1965 5.3842 5.3843 6.1518 6.1521 6.4398 6.4423 6.4469 6.4496 7.2219 7.2221 7.5489 7.5493 7.7307 7.7318 7.7504 7.7516 7.9447 7.9470 7.9698 7.9728 11.4190 11.4216 11.4403 11.4422 13.1801 13.1805 13.4011 13.4038 13.4248 13.4280 14.0136 14.0140 k = 0.3333 0.5774 0.1665 ( 4839 PWs) bands (ev): -8.9607 -8.9606 -8.9484 -8.9473 -8.9472 -8.9461 -7.3754 -7.3746 -7.3741 -7.3734 -6.5804 -6.5803 -5.0135 -5.0122 -5.0096 -5.0083 -1.0929 -1.0929 0.4114 0.4119 0.4499 0.4504 2.4748 2.4749 2.9734 2.9747 3.0252 3.0268 3.8473 3.8477 3.8839 3.8843 3.9531 3.9537 4.2662 4.2671 4.4591 4.4606 4.4880 4.4881 5.0355 5.0356 5.1812 5.1814 5.3149 5.3150 6.1680 6.1684 6.4400 6.4426 6.4513 6.4542 7.2351 7.2353 7.5627 7.5631 7.6455 7.6464 7.6758 7.6766 7.9432 7.9459 7.9772 7.9804 11.5158 11.5184 11.5399 11.5418 13.2329 13.2335 13.4460 13.4484 13.4742 13.4773 14.0339 14.0344 k = 0.3333 0.5774 0.1903 ( 4830 PWs) bands (ev): -8.9460 -8.9460 -8.9337 -8.9326 -8.9323 -8.9312 -7.3643 -7.3635 -7.3628 -7.3621 -6.5727 -6.5726 -5.0026 -5.0014 -4.9982 -4.9969 -1.0774 -1.0774 0.4146 0.4151 0.4595 0.4600 2.4810 2.4811 2.9572 2.9584 3.0190 3.0205 3.7787 3.7791 3.8184 3.8189 3.8788 3.8794 4.2493 4.2501 4.4434 4.4448 4.4902 4.4903 5.0037 5.0038 5.1649 5.1650 5.2398 5.2398 6.1837 6.1841 6.4382 6.4409 6.4553 6.4582 7.2498 7.2500 7.5534 7.5538 7.5778 7.5790 7.5943 7.5952 7.9439 7.9467 7.9855 7.9887 11.6215 11.6242 11.6482 11.6501 13.2904 13.2910 13.4948 13.4970 13.5276 13.5306 14.0537 14.0543 k = 0.3333 0.5774 0.2141 ( 4830 PWs) bands (ev): -8.9295 -8.9294 -8.9170 -8.9160 -8.9154 -8.9144 -7.3518 -7.3510 -7.3502 -7.3494 -6.5641 -6.5640 -4.9904 -4.9892 -4.9853 -4.9840 -1.0598 -1.0598 0.4182 0.4186 0.4698 0.4703 2.4870 2.4871 2.9374 2.9384 3.0104 3.0117 3.7053 3.7058 3.7486 3.7493 3.7994 3.8000 4.2294 4.2301 4.4194 4.4208 4.4908 4.4908 4.9749 4.9752 5.1472 5.1483 5.1597 5.1609 6.1987 6.1991 6.4336 6.4364 6.4580 6.4610 7.2661 7.2663 7.4567 7.4573 7.5089 7.5091 7.5951 7.5955 7.9458 7.9488 7.9942 7.9975 11.7346 11.7372 11.7637 11.7654 13.3507 13.3514 13.5460 13.5480 13.5834 13.5862 14.0711 14.0719 k = 0.3333 0.5774 0.2379 ( 4818 PWs) bands (ev): -8.9110 -8.9109 -8.8985 -8.8974 -8.8967 -8.8956 -7.3379 -7.3372 -7.3361 -7.3354 -6.5547 -6.5545 -4.9767 -4.9755 -4.9711 -4.9698 -1.0403 -1.0403 0.4218 0.4222 0.4807 0.4812 2.4925 2.4926 2.9134 2.9141 2.9986 2.9997 3.6283 3.6288 3.6754 3.6761 3.7160 3.7166 4.2067 4.2072 4.3871 4.3884 4.4890 4.4891 4.9505 4.9509 5.0756 5.0761 5.1321 5.1326 6.2129 6.2133 6.4249 6.4278 6.4584 6.4615 7.2837 7.2840 7.3577 7.3583 7.4223 7.4224 7.6130 7.6135 7.9485 7.9517 8.0032 8.0067 11.8534 11.8560 11.8846 11.8863 13.4118 13.4126 13.5979 13.5996 13.6395 13.6421 14.0844 14.0854 k = 0.3333 0.5774 0.2617 ( 4818 PWs) bands (ev): -8.8906 -8.8905 -8.8780 -8.8769 -8.8760 -8.8750 -7.3227 -7.3219 -7.3207 -7.3199 -6.5443 -6.5442 -4.9617 -4.9605 -4.9554 -4.9541 -1.0187 -1.0187 0.4253 0.4257 0.4920 0.4924 2.4966 2.4967 2.8843 2.8848 2.9829 2.9838 3.5489 3.5494 3.5995 3.6003 3.6293 3.6299 4.1817 4.1819 4.3471 4.3482 4.4837 4.4839 4.9307 4.9316 4.9900 4.9905 5.1169 5.1170 6.2263 6.2267 6.4106 6.4135 6.4549 6.4583 7.2589 7.2590 7.3027 7.3030 7.3371 7.3373 7.6320 7.6326 7.9518 7.9551 8.0125 8.0159 11.9764 11.9789 12.0096 12.0113 13.4712 13.4721 13.6485 13.6498 13.6934 13.6957 14.0914 14.0926 k = 0.3333 0.5774 0.2855 ( 4824 PWs) bands (ev): -8.8683 -8.8683 -8.8556 -8.8545 -8.8534 -8.8524 -7.3061 -7.3054 -7.3039 -7.3032 -6.5332 -6.5331 -4.9453 -4.9442 -4.9384 -4.9371 -0.9952 -0.9952 0.4285 0.4288 0.5035 0.5039 2.4984 2.4985 2.8494 2.8497 2.9625 2.9631 3.4687 3.4692 3.5216 3.5227 3.5403 3.5409 4.1550 4.1550 4.3007 4.3017 4.4732 4.4735 4.9021 4.9044 4.9172 4.9189 5.1029 5.1029 6.2390 6.2394 6.3887 6.3918 6.4455 6.4490 7.1634 7.1636 7.2560 7.2563 7.3229 7.3232 7.6519 7.6525 7.9555 7.9588 8.0217 8.0253 12.1022 12.1047 12.1373 12.1388 13.5259 13.5269 13.6953 13.6963 13.7419 13.7440 14.0900 14.0915 k = 0.3333 0.5774 0.3093 ( 4821 PWs) bands (ev): -8.8442 -8.8441 -8.8313 -8.8303 -8.8290 -8.8279 -7.2883 -7.2875 -7.2859 -7.2852 -6.5213 -6.5212 -4.9276 -4.9265 -4.9200 -4.9187 -0.9698 -0.9698 0.4311 0.4313 0.5151 0.5155 2.4966 2.4968 2.8081 2.8082 2.9367 2.9370 3.3896 3.3901 3.4425 3.4438 3.4499 3.4501 4.1273 4.1276 4.2499 4.2507 4.4541 4.4545 4.8221 4.8228 4.9070 4.9072 5.0903 5.0905 6.2510 6.2514 6.3573 6.3604 6.4269 6.4305 7.0753 7.0754 7.1826 7.1829 7.3440 7.3443 7.6727 7.6733 7.9593 7.9628 8.0310 8.0346 12.2294 12.2318 12.2661 12.2677 13.5727 13.5738 13.7361 13.7366 13.7815 13.7832 14.0785 14.0802 k = 0.3333 0.5774 0.3331 ( 4815 PWs) bands (ev): -8.8182 -8.8182 -8.8052 -8.8042 -8.8027 -8.8016 -7.2692 -7.2684 -7.2666 -7.2659 -6.5088 -6.5086 -4.9086 -4.9075 -4.9003 -4.8991 -0.9424 -0.9424 0.4326 0.4328 0.5263 0.5267 2.4896 2.4897 2.7598 2.7599 2.9047 2.9047 3.3136 3.3141 3.3575 3.3585 3.3637 3.3644 4.0998 4.1004 4.1969 4.1974 4.4212 4.4218 4.7501 4.7508 4.9002 4.9008 5.0793 5.0797 6.2625 6.2628 6.3145 6.3177 6.3955 6.3992 6.9990 6.9991 7.1193 7.1195 7.3661 7.3664 7.6941 7.6947 7.9633 7.9668 8.0402 8.0439 12.3566 12.3589 12.3948 12.3963 13.6083 13.6094 13.7681 13.7682 13.8082 13.8095 14.0554 14.0573 k = 0.3333 0.5774 0.3568 ( 4827 PWs) bands (ev): -8.7904 -8.7903 -8.7772 -8.7762 -8.7745 -8.7735 -7.2490 -7.2482 -7.2462 -7.2455 -6.4955 -6.4954 -4.8883 -4.8873 -4.8793 -4.8781 -0.9132 -0.9132 0.4328 0.4330 0.5371 0.5374 2.4751 2.4751 2.7043 2.7046 2.8657 2.8661 3.2434 3.2440 3.2656 3.2663 3.2836 3.2846 4.0733 4.0743 4.1437 4.1439 4.3688 4.3695 4.6937 4.6945 4.8962 4.8970 5.0697 5.0703 6.2593 6.2625 6.2734 6.2738 6.3478 6.3515 6.9386 6.9387 7.0677 7.0679 7.3891 7.3894 7.7160 7.7166 7.9672 7.9708 8.0493 8.0530 12.4822 12.4845 12.5219 12.5233 13.6295 13.6307 13.7888 13.7891 13.8187 13.8196 14.0203 14.0224 k = 0.3333 0.5774 0.3806 ( 4821 PWs) bands (ev): -8.7608 -8.7607 -8.7475 -8.7464 -8.7446 -8.7435 -7.2276 -7.2268 -7.2246 -7.2239 -6.4818 -6.4816 -4.8669 -4.8658 -4.8571 -4.8559 -0.8821 -0.8821 0.4313 0.4314 0.5468 0.5471 2.4508 2.4508 2.6420 2.6425 2.8204 2.8210 3.1726 3.1732 3.1825 3.1832 3.2031 3.2044 4.0489 4.0501 4.0925 4.0925 4.2953 4.2961 4.6549 4.6557 4.8940 4.8950 5.0612 5.0621 6.1921 6.1953 6.2830 6.2839 6.2844 6.2868 6.8958 6.8962 7.0285 7.0285 7.4130 7.4133 7.7384 7.7391 7.9710 7.9746 8.0581 8.0619 12.6046 12.6068 12.6456 12.6470 13.6341 13.6352 13.7969 13.7976 13.8112 13.8118 13.9733 13.9757 k = 0.3333 0.5774 0.4044 ( 4809 PWs) bands (ev): -8.7294 -8.7293 -8.7159 -8.7149 -8.7128 -8.7118 -7.2051 -7.2043 -7.2019 -7.2012 -6.4675 -6.4673 -4.8442 -4.8432 -4.8336 -4.8325 -0.8493 -0.8492 0.4275 0.4276 0.5553 0.5555 2.4146 2.4146 2.5734 2.5740 2.7693 2.7702 3.0806 3.0808 3.1217 3.1221 3.1322 3.1328 4.0270 4.0285 4.0448 4.0450 4.2050 4.2058 4.6301 4.6309 4.8926 4.8938 5.0534 5.0544 6.1145 6.1177 6.2031 6.2065 6.2946 6.2949 6.8693 6.8699 7.0006 7.0007 7.4377 7.4380 7.7613 7.7620 7.9746 7.9783 8.0667 8.0705 12.7217 12.7237 12.7640 12.7653 13.6209 13.6220 13.7864 13.7867 13.7923 13.7934 13.9154 13.9179 k = 0.3333 0.5774 0.4282 ( 4806 PWs) bands (ev): -8.6962 -8.6961 -8.6826 -8.6816 -8.6793 -8.6782 -7.1817 -7.1808 -7.1783 -7.1776 -6.4528 -6.4526 -4.8204 -4.8194 -4.8090 -4.8079 -0.8147 -0.8146 0.4210 0.4210 0.5618 0.5620 2.3654 2.3655 2.4995 2.5002 2.7137 2.7148 2.9881 2.9883 3.0384 3.0392 3.0942 3.0944 4.0018 4.0024 4.0082 4.0097 4.1033 4.1040 4.6140 4.6148 4.8912 4.8926 5.0455 5.0467 6.0291 6.0323 6.1124 6.1156 6.3048 6.3051 6.8557 6.8566 6.9825 6.9828 7.4630 7.4634 7.7845 7.7852 7.9780 7.9818 8.0751 8.0789 12.8304 12.8322 12.8741 12.8754 13.5901 13.5912 13.7479 13.7480 13.7768 13.7781 13.8478 13.8504 k = 0.3333 0.5774 0.4520 ( 4812 PWs) bands (ev): -8.6613 -8.6612 -8.6476 -8.6466 -8.6441 -8.6430 -7.1572 -7.1564 -7.1537 -7.1529 -6.4378 -6.4376 -4.7955 -4.7945 -4.7833 -4.7822 -0.7784 -0.7784 0.4112 0.4112 0.5658 0.5659 2.3037 2.3038 2.4215 2.4222 2.6553 2.6565 2.8956 2.8960 2.9525 2.9532 3.0686 3.0686 3.9647 3.9652 3.9905 3.9922 3.9953 3.9977 4.6029 4.6036 4.8887 4.8902 5.0366 5.0381 5.9389 5.9421 6.0155 6.0186 6.3151 6.3153 6.8515 6.8526 6.9723 6.9729 7.4891 7.4894 7.8079 7.8087 7.9811 7.9849 8.0830 8.0869 12.9263 12.9279 12.9721 12.9732 13.5432 13.5442 13.7021 13.7024 13.7541 13.7560 13.7718 13.7747 k = 0.3333 0.5774 0.4758 ( 4797 PWs) bands (ev): -8.6246 -8.6245 -8.6108 -8.6098 -8.6071 -8.6061 -7.1320 -7.1311 -7.1282 -7.1275 -6.4226 -6.4224 -4.7695 -4.7686 -4.7565 -4.7554 -0.7405 -0.7404 0.3975 0.3976 0.5666 0.5667 2.2311 2.2313 2.3405 2.3413 2.5956 2.5969 2.8035 2.8041 2.8637 2.8642 3.0535 3.0536 3.8806 3.8814 3.9333 3.9345 3.9793 3.9814 4.5946 4.5954 4.8839 4.8855 5.0256 5.0272 5.8473 5.8504 5.9166 5.9196 6.3254 6.3256 6.8537 6.8550 6.9683 6.9690 7.5157 7.5161 7.8316 7.8324 7.9838 7.9877 8.0907 8.0947 13.0023 13.0036 13.0519 13.0529 13.4824 13.4834 13.6589 13.6596 13.6888 13.6909 13.7326 13.7340 k = 0.3333 0.5774 0.4996 ( 4791 PWs) bands (ev): -8.5863 -8.5862 -8.5725 -8.5715 -8.5685 -8.5675 -7.1059 -7.1051 -7.1019 -7.1012 -6.4072 -6.4070 -4.7426 -4.7417 -4.7287 -4.7276 -0.7010 -0.7010 0.3794 0.3795 0.5635 0.5635 2.1502 2.1505 2.2579 2.2587 2.5361 2.5375 2.7123 2.7132 2.7720 2.7723 3.0466 3.0469 3.7645 3.7654 3.9075 3.9087 3.9690 3.9711 4.5881 4.5888 4.8753 4.8769 5.0107 5.0125 5.7575 5.7607 5.8193 5.8222 6.3357 6.3359 6.8603 6.8618 6.9690 6.9699 7.5428 7.5432 7.8555 7.8563 7.9862 7.9901 8.0981 8.1020 13.0475 13.0484 13.1051 13.1059 13.4101 13.4110 13.5996 13.6022 13.6320 13.6327 13.7202 13.7219 k = 0.3333 0.5774 0.5234 ( 4788 PWs) bands (ev): -8.5463 -8.5462 -8.5325 -8.5315 -8.5283 -8.5273 -7.0792 -7.0783 -7.0750 -7.0743 -6.3918 -6.3916 -4.7147 -4.7139 -4.6999 -4.6988 -0.6601 -0.6601 0.3564 0.3566 0.5555 0.5556 2.0634 2.0637 2.1746 2.1753 2.4777 2.4789 2.6229 2.6240 2.6784 2.6785 3.0451 3.0456 3.6471 3.6481 3.8867 3.8880 3.9610 3.9631 4.5826 4.5833 4.8610 4.8625 4.9899 4.9916 5.6733 5.6763 5.7271 5.7299 6.3462 6.3464 6.8699 6.8716 6.9731 6.9742 7.5703 7.5708 7.8794 7.8804 7.9882 7.9922 8.1050 8.1090 13.0520 13.0524 13.1236 13.1244 13.3286 13.3295 13.5065 13.5089 13.6324 13.6336 13.7274 13.7292 k = 0.3333 0.5774 0.5472 ( 4782 PWs) bands (ev): -8.5048 -8.5046 -8.4909 -8.4899 -8.4865 -8.4855 -7.0518 -7.0510 -7.0474 -7.0467 -6.3765 -6.3763 -4.6860 -4.6852 -4.6702 -4.6692 -0.6179 -0.6178 0.3281 0.3283 0.5419 0.5421 1.9727 1.9730 2.0912 2.0919 2.4194 2.4204 2.5364 2.5377 2.5852 2.5857 3.0462 3.0470 3.5300 3.5313 3.8701 3.8713 3.9547 3.9567 4.5780 4.5786 4.8387 4.8401 4.9605 4.9620 5.5982 5.6011 5.6434 5.6462 6.3569 6.3570 6.8816 6.8833 6.9798 6.9810 7.5982 7.5987 7.9035 7.9045 7.9899 7.9939 8.1117 8.1157 13.0160 13.0160 13.1060 13.1068 13.2399 13.2409 13.4100 13.4122 13.6620 13.6635 13.7573 13.7590 k = 0.3333 0.5774 0.5710 ( 4797 PWs) bands (ev): -8.4616 -8.4615 -8.4478 -8.4468 -8.4432 -8.4422 -7.0240 -7.0231 -7.0194 -7.0187 -6.3614 -6.3612 -4.6565 -4.6557 -4.6397 -4.6387 -0.5744 -0.5744 0.2941 0.2943 0.5220 0.5221 1.8800 1.8804 2.0078 2.0084 2.3575 2.3580 2.4544 2.4560 2.4980 2.4992 3.0459 3.0472 3.4159 3.4176 3.8567 3.8578 3.9493 3.9512 4.5741 4.5748 4.8061 4.8073 4.9202 4.9214 5.5358 5.5384 5.5715 5.5741 6.3677 6.3678 6.8944 6.8963 6.9883 6.9897 7.6263 7.6269 7.9277 7.9287 7.9913 7.9953 8.1180 8.1220 12.9502 12.9503 13.0589 13.0597 13.1459 13.1469 13.3112 13.3132 13.7111 13.7127 13.8043 13.8059 k = 0.3333 0.5774 0.5947 ( 4791 PWs) bands (ev): -8.4169 -8.4168 -8.4032 -8.4023 -8.3984 -8.3974 -6.9958 -6.9950 -6.9910 -6.9903 -6.3466 -6.3464 -4.6262 -4.6255 -4.6084 -4.6074 -0.5298 -0.5298 0.2543 0.2546 0.4950 0.4952 1.7867 1.7871 1.9242 1.9248 2.2837 2.2839 2.3790 2.3808 2.4266 2.4285 3.0374 3.0393 3.3108 3.3131 3.8457 3.8466 3.9442 3.9459 4.5712 4.5718 4.7616 4.7625 4.8680 4.8686 5.4882 5.4904 5.5139 5.5161 6.3786 6.3787 6.9080 6.9100 6.9979 6.9995 7.6546 7.6552 7.9520 7.9531 7.9924 7.9965 8.1240 8.1281 12.8665 12.8667 12.9918 12.9926 13.0478 13.0489 13.2112 13.2130 13.7690 13.7705 13.8602 13.8618 k = 0.3333 0.5774 0.6185 ( 4788 PWs) bands (ev): -8.3708 -8.3706 -8.3572 -8.3563 -8.3522 -8.3512 -6.9674 -6.9665 -6.9624 -6.9617 -6.3323 -6.3321 -4.5953 -4.5947 -4.5764 -4.5755 -0.4844 -0.4843 0.2088 0.2091 0.4605 0.4608 1.6940 1.6944 1.8397 1.8401 2.1938 2.1942 2.3120 2.3140 2.3763 2.3786 3.0058 3.0082 3.2288 3.2317 3.8360 3.8367 3.9384 3.9397 4.5694 4.5700 4.7050 4.7053 4.8046 4.8047 5.4555 5.4571 5.4715 5.4735 6.3897 6.3897 6.9219 6.9239 7.0083 7.0100 7.6829 7.6835 7.9763 7.9774 7.9934 7.9975 8.1299 8.1339 12.7728 12.7730 12.9120 12.9129 12.9469 12.9481 13.1108 13.1124 13.8286 13.8301 13.9187 13.9201 k = 0.3333 0.5774 0.6423 ( 4794 PWs) bands (ev): -8.3231 -8.3230 -8.3099 -8.3089 -8.3046 -8.3036 -6.9388 -6.9380 -6.9336 -6.9329 -6.3186 -6.3184 -4.5638 -4.5632 -4.5438 -4.5429 -0.4382 -0.4382 0.1578 0.1581 0.4185 0.4188 1.6030 1.6034 1.7532 1.7535 2.0929 2.0934 2.2554 2.2576 2.3429 2.3454 2.9358 2.9381 3.1853 3.1879 3.8265 3.8269 3.9307 3.9317 4.5690 4.5697 4.6373 4.6377 4.7323 4.7332 5.4359 5.4370 5.4438 5.4454 6.4007 6.4007 6.9355 6.9377 7.0188 7.0207 7.7110 7.7118 7.9943 7.9983 8.0007 8.0019 8.1354 8.1395 12.6736 12.6738 12.8244 12.8254 12.8442 12.8455 13.0104 13.0119 13.8862 13.8877 13.9756 13.9769 k = 0.3333 0.5774 0.6661 ( 4818 PWs) bands (ev): -8.2741 -8.2740 -8.2612 -8.2603 -8.2557 -8.2547 -6.9103 -6.9094 -6.9049 -6.9042 -6.3057 -6.3054 -4.5318 -4.5313 -4.5106 -4.5098 -0.3916 -0.3916 0.1015 0.1019 0.3691 0.3695 1.5145 1.5149 1.6643 1.6645 1.9866 1.9870 2.2103 2.2127 2.3216 2.3241 2.8366 2.8383 3.1701 3.1722 3.8162 3.8162 3.9200 3.9204 4.5612 4.5619 4.5709 4.5712 4.6554 4.6572 5.4269 5.4276 5.4287 5.4300 6.4116 6.4117 6.9487 6.9509 7.0291 7.0311 7.7390 7.7398 7.9952 7.9993 8.0250 8.0263 8.1409 8.1450 12.5716 12.5719 12.7322 12.7333 12.7406 12.7421 12.9109 12.9121 13.9397 13.9410 14.0288 14.0299 k = 0.3333 0.5774 0.6899 ( 4818 PWs) bands (ev): -8.2238 -8.2236 -8.2113 -8.2104 -8.2055 -8.2046 -6.8820 -6.8811 -6.8763 -6.8756 -6.2936 -6.2933 -4.4994 -4.4989 -4.4771 -4.4763 -0.3449 -0.3448 0.0407 0.0410 0.3130 0.3133 1.4294 1.4299 1.5727 1.5728 1.8777 1.8780 2.1772 2.1798 2.3098 2.3123 2.7245 2.7259 3.1657 3.1673 3.8034 3.8039 3.9044 3.9046 4.4805 4.4823 4.5744 4.5746 4.5778 4.5810 5.4241 5.4251 5.4263 5.4266 6.4223 6.4223 6.9610 6.9633 7.0388 7.0409 7.7667 7.7676 7.9964 8.0005 8.0495 8.0509 8.1464 8.1505 12.4688 12.4690 12.6363 12.6369 12.6388 12.6398 12.8124 12.8135 13.9882 13.9894 14.0770 14.0780 k = 0.3333 0.5774 0.7137 ( 4824 PWs) bands (ev): -8.1721 -8.1720 -8.1603 -8.1594 -8.1542 -8.1533 -6.8539 -6.8530 -6.8480 -6.8474 -6.2827 -6.2823 -4.4667 -4.4662 -4.4432 -4.4424 -0.2984 -0.2983 -0.0242 -0.0239 0.2507 0.2510 1.3487 1.3491 1.4786 1.4786 1.7677 1.7679 2.1557 2.1583 2.3059 2.3084 2.6076 2.6087 3.1636 3.1649 3.7869 3.7880 3.8819 3.8828 4.3987 4.4012 4.5033 4.5068 4.5810 4.5817 5.4278 5.4285 5.4321 5.4321 6.4325 6.4326 6.9721 6.9745 7.0474 7.0497 7.7939 7.7949 7.9981 8.0021 8.0740 8.0755 8.1520 8.1561 12.3662 12.3664 12.5339 12.5348 12.5427 12.5431 12.7153 12.7163 14.0311 14.0323 14.1197 14.1206 k = 0.3333 0.5774 0.7375 ( 4824 PWs) bands (ev): -8.1193 -8.1191 -8.1081 -8.1072 -8.1018 -8.1009 -6.8264 -6.8255 -6.8203 -6.8197 -6.2729 -6.2726 -4.4337 -4.4333 -4.4090 -4.4083 -0.2526 -0.2525 -0.0923 -0.0920 0.1834 0.1837 1.2731 1.2736 1.3827 1.3827 1.6575 1.6578 2.1447 2.1474 2.3090 2.3116 2.4890 2.4899 3.1603 3.1614 3.7651 3.7669 3.8512 3.8528 4.3190 4.3225 4.4348 4.4393 4.5909 4.5915 5.4379 5.4385 5.4428 5.4431 6.4420 6.4422 6.9818 6.9843 7.0547 7.0570 7.8206 7.8218 8.0004 8.0044 8.0986 8.1002 8.1578 8.1619 12.2647 12.2649 12.4322 12.4333 12.4468 12.4473 12.6199 12.6207 14.0687 14.0697 14.1568 14.1576 k = 0.3333 0.5774 0.7613 ( 4842 PWs) bands (ev): -8.0653 -8.0651 -8.0550 -8.0541 -8.0484 -8.0475 -6.7995 -6.7987 -6.7932 -6.7926 -6.2645 -6.2642 -4.4006 -4.4002 -4.3747 -4.3740 -0.2080 -0.2079 -0.1629 -0.1626 0.1120 0.1123 1.2036 1.2041 1.2856 1.2856 1.5479 1.5481 2.1430 2.1458 2.3184 2.3209 2.3700 2.3708 3.1539 3.1548 3.7360 3.7386 3.8110 3.8132 4.2447 4.2490 4.3748 4.3800 4.6045 4.6051 5.4533 5.4537 5.4577 5.4582 6.4507 6.4508 6.9896 6.9922 7.0601 7.0626 7.8467 7.8480 8.0035 8.0075 8.1232 8.1249 8.1640 8.1680 12.1649 12.1651 12.3324 12.3336 12.3516 12.3522 12.5262 12.5270 14.1010 14.1020 14.1884 14.1891 k = 0.3333 0.5774 0.7851 ( 4842 PWs) bands (ev): -8.0102 -8.0100 -8.0009 -8.0000 -7.9941 -7.9931 -6.7735 -6.7727 -6.7670 -6.7664 -6.2577 -6.2573 -4.3675 -4.3671 -4.3404 -4.3398 -0.2352 -0.2350 -0.1654 -0.1653 0.0376 0.0379 1.1413 1.1417 1.1882 1.1882 1.4393 1.4395 2.1494 2.1523 2.2514 2.2521 2.3331 2.3357 3.1435 3.1443 3.6982 3.7015 3.7610 3.7637 4.1785 4.1836 4.3242 4.3299 4.6221 4.6227 5.4729 5.4733 5.4763 5.4769 6.4581 6.4583 6.9954 6.9980 7.0634 7.0660 7.8722 7.8736 8.0077 8.0117 8.1478 8.1496 8.1706 8.1746 12.0673 12.0675 12.2350 12.2363 12.2576 12.2582 12.4346 12.4352 14.1286 14.1294 14.2151 14.2157 k = 0.3333 0.5774 0.8089 ( 4845 PWs) bands (ev): -7.9540 -7.9538 -7.9460 -7.9451 -7.9390 -7.9380 -6.7486 -6.7477 -6.7418 -6.7412 -6.2526 -6.2522 -4.3344 -4.3341 -4.3062 -4.3056 -0.3085 -0.3083 -0.1254 -0.1253 -0.0388 -0.0386 1.0866 1.0876 1.0912 1.0918 1.3323 1.3324 2.1338 2.1345 2.1626 2.1656 2.3525 2.3552 3.1283 3.1290 3.6509 3.6546 3.7024 3.7053 4.1219 4.1276 4.2826 4.2886 4.6441 4.6446 5.4962 5.4965 5.4980 5.4987 6.4640 6.4643 6.9988 7.0015 7.0641 7.0669 7.8970 7.8985 8.0131 8.0171 8.1723 8.1742 8.1777 8.1818 11.9724 11.9725 12.1406 12.1419 12.1653 12.1659 12.3450 12.3456 14.1519 14.1526 14.2373 14.2378 k = 0.3333 0.5774 0.8326 ( 4857 PWs) bands (ev): -7.8970 -7.8968 -7.8904 -7.8895 -7.8831 -7.8822 -6.7249 -6.7241 -6.7179 -6.7173 -6.2493 -6.2490 -4.3015 -4.3012 -4.2722 -4.2716 -0.3821 -0.3819 -0.1164 -0.1162 -0.0890 -0.0888 0.9950 0.9952 1.0425 1.0427 1.2271 1.2271 2.0175 2.0181 2.1814 2.1845 2.3759 2.3786 3.1081 3.1087 3.5946 3.5985 3.6371 3.6399 4.0751 4.0809 4.2485 4.2545 4.6705 4.6711 5.5225 5.5226 5.5228 5.5233 6.4681 6.4684 6.9996 7.0023 7.0621 7.0650 7.9212 7.9228 8.0201 8.0240 8.1856 8.1896 8.1967 8.1988 11.8804 11.8805 12.0495 12.0508 12.0749 12.0755 12.2578 12.2582 14.1715 14.1722 14.2557 14.2561 k = 0.3333 0.5774 0.8564 ( 4851 PWs) bands (ev): -7.8391 -7.8389 -7.8342 -7.8333 -7.8266 -7.8257 -6.7027 -6.7019 -6.6955 -6.6949 -6.2481 -6.2477 -4.2688 -4.2686 -4.2385 -4.2380 -0.4552 -0.4551 -0.1943 -0.1941 -0.0570 -0.0568 0.9007 0.9008 1.0080 1.0083 1.1241 1.1242 1.9029 1.9034 2.2047 2.2079 2.4025 2.4054 3.0825 3.0831 3.5316 3.5354 3.5675 3.5702 4.0365 4.0423 4.2197 4.2256 4.7015 4.7021 5.5499 5.5506 5.5517 5.5520 6.4700 6.4703 6.9976 7.0003 7.0571 7.0600 7.9448 7.9465 8.0287 8.0326 8.1942 8.1981 8.2209 8.2230 11.7916 11.7917 11.9621 11.9634 11.9868 11.9874 12.1729 12.1733 14.1881 14.1886 14.2708 14.2711 k = 0.3333 0.5774 0.8802 ( 4845 PWs) bands (ev): -7.7804 -7.7802 -7.7775 -7.7766 -7.7697 -7.7688 -6.6821 -6.6813 -6.6747 -6.6741 -6.2491 -6.2487 -4.2366 -4.2364 -4.2053 -4.2048 -0.5273 -0.5272 -0.2718 -0.2717 -0.0300 -0.0298 0.8085 0.8086 0.9850 0.9852 1.0237 1.0238 1.7900 1.7905 2.2314 2.2348 2.4315 2.4345 3.0517 3.0522 3.4644 3.4679 3.4961 3.4985 4.0040 4.0096 4.1943 4.2000 4.7370 4.7376 5.5796 5.5802 5.5833 5.5837 6.4693 6.4697 6.9925 6.9952 7.0489 7.0519 7.9680 7.9698 8.0390 8.0428 8.2036 8.2076 8.2446 8.2469 11.7063 11.7064 11.8787 11.8800 11.9012 11.9017 12.0906 12.0908 14.2022 14.2027 14.2834 14.2836 k = 0.3333 0.5774 0.9040 ( 4845 PWs) bands (ev): -7.7211 -7.7210 -7.7205 -7.7193 -7.7124 -7.7115 -6.6635 -6.6627 -6.6557 -6.6553 -6.2524 -6.2520 -4.2048 -4.2047 -4.1727 -4.1722 -0.5978 -0.5976 -0.3484 -0.3483 -0.0086 -0.0084 0.7190 0.7191 0.9262 0.9262 0.9740 0.9743 1.6792 1.6797 2.2607 2.2642 2.4620 2.4653 3.0157 3.0162 3.3959 3.3989 3.4249 3.4269 3.9754 3.9807 4.1706 4.1760 4.7769 4.7774 5.6116 5.6122 5.6171 5.6176 6.4657 6.4661 6.9841 6.9869 7.0372 7.0403 7.9908 7.9928 8.0510 8.0549 8.2138 8.2178 8.2678 8.2701 11.6247 11.6248 11.7996 11.8008 11.8183 11.8186 12.0109 12.0110 14.2145 14.2149 14.2940 14.2942 k = 0.3333 0.5774 0.9278 ( 4842 PWs) bands (ev): -7.6632 -7.6628 -7.6611 -7.6605 -7.6549 -7.6540 -6.6468 -6.6461 -6.6389 -6.6384 -6.2582 -6.2578 -4.1736 -4.1736 -4.1409 -4.1405 -0.6660 -0.6659 -0.4234 -0.4233 0.0072 0.0075 0.6326 0.6327 0.8318 0.8319 0.9751 0.9754 1.5706 1.5711 2.2914 2.2952 2.4930 2.4966 2.9747 2.9751 3.3288 3.3311 3.3557 3.3572 3.9490 3.9540 4.1474 4.1525 4.8209 4.8214 5.6458 5.6463 5.6530 5.6536 6.4588 6.4593 6.9725 6.9753 7.0222 7.0253 8.0134 8.0155 8.0649 8.0687 8.2248 8.2288 8.2901 8.2926 11.5470 11.5470 11.7250 11.7261 11.7383 11.7384 11.9341 11.9341 14.2255 14.2259 14.3034 14.3035 k = 0.3333 0.5774 0.9516 ( 4842 PWs) bands (ev): -7.6059 -7.6054 -7.6008 -7.6002 -7.5974 -7.5964 -6.6325 -6.6318 -6.6244 -6.6239 -6.2665 -6.2661 -4.1432 -4.1431 -4.1099 -4.1096 -0.7316 -0.7315 -0.4965 -0.4964 0.0180 0.0183 0.5498 0.5499 0.7409 0.7410 0.9881 0.9884 1.4644 1.4649 2.3225 2.3267 2.5230 2.5271 2.9290 2.9294 3.2654 3.2670 3.2902 3.2911 3.9235 3.9281 4.1238 4.1285 4.8687 4.8692 5.6820 5.6824 5.6908 5.6914 6.4484 6.4489 6.9576 6.9603 7.0037 7.0068 8.0360 8.0382 8.0804 8.0842 8.2365 8.2404 8.3115 8.3140 11.4733 11.4733 11.6550 11.6554 11.6612 11.6619 11.8600 11.8602 14.2359 14.2361 14.3121 14.3121 k = 0.3333 0.5774 0.9754 ( 4842 PWs) bands (ev): -7.5487 -7.5481 -7.5405 -7.5400 -7.5395 -7.5385 -6.6207 -6.6200 -6.6123 -6.6119 -6.2776 -6.2772 -4.1136 -4.1136 -4.0801 -4.0797 -0.7941 -0.7940 -0.5672 -0.5672 0.0247 0.0250 0.4710 0.4711 0.6537 0.6539 1.0121 1.0123 1.3609 1.3614 2.3530 2.3575 2.5505 2.5551 2.8789 2.8793 3.2084 3.2091 3.2299 3.2302 3.8980 3.9022 4.0991 4.1035 4.9201 4.9206 5.7202 5.7205 5.7303 5.7311 6.4341 6.4346 6.9393 6.9419 6.9818 6.9850 8.0587 8.0609 8.0974 8.1012 8.2487 8.2527 8.3316 8.3342 11.4039 11.4040 11.5853 11.5871 11.5899 11.5928 11.7891 11.7894 14.2460 14.2462 14.3205 14.3206 k = 0.3333 0.5774 0.9992 ( 4842 PWs) bands (ev): -7.4918 -7.4912 -7.4828 -7.4824 -7.4785 -7.4785 -6.6115 -6.6108 -6.6028 -6.6025 -6.2915 -6.2911 -4.0850 -4.0850 -4.0514 -4.0511 -0.8531 -0.8530 -0.6353 -0.6353 0.0286 0.0290 0.3966 0.3968 0.5706 0.5707 1.0457 1.0459 1.2603 1.2608 2.3814 2.3865 2.5730 2.5784 2.8248 2.8251 3.1601 3.1604 3.1760 3.1764 3.8720 3.8757 4.0729 4.0769 4.9746 4.9751 5.7603 5.7604 5.7715 5.7724 6.4158 6.4163 6.9177 6.9203 6.9568 6.9599 8.0816 8.0839 8.1157 8.1196 8.2614 8.2654 8.3502 8.3529 11.3389 11.3390 11.5151 11.5162 11.5297 11.5320 11.7215 11.7219 14.2565 14.2566 14.3293 14.3295 k = 0.3333 0.5774 1.0230 ( 4842 PWs) bands (ev): -7.4353 -7.4348 -7.4262 -7.4256 -7.4176 -7.4174 -6.6051 -6.6044 -6.5962 -6.5959 -6.3082 -6.3078 -4.0574 -4.0574 -4.0242 -4.0239 -0.9081 -0.9080 -0.7005 -0.7004 0.0311 0.0315 0.3269 0.3272 0.4917 0.4918 1.0870 1.0872 1.1632 1.1637 2.4065 2.4121 2.5882 2.5943 2.7671 2.7673 3.1229 3.1243 3.1302 3.1314 3.8450 3.8483 4.0450 4.0486 5.0320 5.0325 5.8019 5.8019 5.8141 5.8151 6.3932 6.3938 6.8930 6.8955 6.9288 6.9318 8.1048 8.1072 8.1351 8.1390 8.2742 8.2782 8.3671 8.3698 11.2786 11.2786 11.4479 11.4488 11.4746 11.4767 11.6574 11.6579 14.2676 14.2677 14.3389 14.3391 k = 0.3333 0.5774 1.0468 ( 4866 PWs) bands (ev): -7.3796 -7.3790 -7.3702 -7.3696 -7.3565 -7.3563 -6.6016 -6.6010 -6.5925 -6.5923 -6.3278 -6.3274 -4.0311 -4.0311 -3.9985 -3.9983 -0.9589 -0.9588 -0.7625 -0.7624 0.0336 0.0340 0.2624 0.2627 0.4173 0.4174 1.0660 1.0664 1.1390 1.1390 2.4265 2.4328 2.5935 2.6005 2.7059 2.7062 3.0944 3.0964 3.1003 3.1028 3.8168 3.8197 4.0151 4.0184 5.0919 5.0924 5.8448 5.8450 5.8579 5.8591 6.3663 6.3669 6.8652 6.8676 6.8978 6.9008 8.1283 8.1308 8.1553 8.1592 8.2869 8.2909 8.3819 8.3847 11.2229 11.2230 11.3841 11.3849 11.4245 11.4266 11.5968 11.5974 14.2798 14.2798 14.3496 14.3499 k = 0.3333 0.5774 1.0705 ( 4860 PWs) bands (ev): -7.3247 -7.3242 -7.3153 -7.3147 -7.2956 -7.2953 -6.6011 -6.6006 -6.5919 -6.5917 -6.3503 -6.3500 -4.0061 -4.0061 -3.9746 -3.9743 -1.0051 -1.0050 -0.8210 -0.8209 0.0373 0.0377 0.2033 0.2036 0.3476 0.3478 0.9754 0.9759 1.1933 1.1933 2.4405 2.4474 2.5882 2.5959 2.6419 2.6422 3.0701 3.0729 3.0933 3.0967 3.7875 3.7901 3.9833 3.9862 5.1540 5.1544 5.8891 5.8895 5.9029 5.9042 6.3351 6.3356 6.8345 6.8369 6.8643 6.8672 8.1522 8.1547 8.1760 8.1799 8.2992 8.3032 8.3945 8.3974 11.1723 11.1724 11.3240 11.3248 11.3795 11.3817 11.5400 11.5408 14.2934 14.2934 14.3619 14.3623 k = 0.3333 0.5774 1.0943 ( 4836 PWs) bands (ev): -7.2710 -7.2706 -7.2615 -7.2609 -7.2349 -7.2346 -6.6036 -6.6032 -6.5943 -6.5942 -6.3758 -6.3755 -3.9827 -3.9826 -3.9525 -3.9523 -1.0465 -1.0463 -0.8759 -0.8758 0.0431 0.0436 0.1500 0.1504 0.2830 0.2832 0.8876 0.8881 1.2532 1.2532 2.4475 2.4550 2.5715 2.5752 2.5774 2.5815 3.0580 3.0616 3.1008 3.1050 3.7573 3.7593 3.9495 3.9520 5.2179 5.2184 5.9346 5.9351 5.9488 5.9503 6.2996 6.3002 6.8014 6.8036 6.8285 6.8313 8.1763 8.1790 8.1969 8.2009 8.3109 8.3149 8.4048 8.4078 11.1268 11.1269 11.2678 11.2685 11.3397 11.3419 11.4872 11.4882 14.3086 14.3087 14.3759 14.3764 k = 0.3333 0.5774 1.1181 ( 4839 PWs) bands (ev): -7.2188 -7.2184 -7.2093 -7.2087 -7.1747 -7.1744 -6.6092 -6.6088 -6.5998 -6.5997 -6.4043 -6.4039 -3.9608 -3.9608 -3.9325 -3.9323 -1.0828 -1.0827 -0.9271 -0.9270 0.0519 0.0524 0.1027 0.1030 0.2235 0.2238 0.8034 0.8038 1.3171 1.3172 2.4479 2.4558 2.5061 2.5062 2.5522 2.5601 3.0578 3.0621 3.1199 3.1246 3.7262 3.7278 3.9139 3.9160 5.2833 5.2837 5.9808 5.9817 5.9954 5.9971 6.2599 6.2604 6.7658 6.7679 6.7905 6.7933 8.2006 8.2033 8.2176 8.2216 8.3215 8.3256 8.4125 8.4155 11.0865 11.0868 11.2157 11.2164 11.3050 11.3073 11.4385 11.4396 14.3256 14.3258 14.3918 14.3923 k = 0.3333 0.5774 1.1419 ( 4839 PWs) bands (ev): -7.1685 -7.1681 -7.1590 -7.1584 -7.1151 -7.1148 -6.6177 -6.6173 -6.6083 -6.6083 -6.4356 -6.4352 -3.9407 -3.9407 -3.9147 -3.9145 -1.1139 -1.1137 -0.9742 -0.9741 0.0614 0.0619 0.0645 0.0649 0.1694 0.1697 0.7229 0.7233 1.3844 1.3844 2.4344 2.4351 2.4438 2.4512 2.5270 2.5350 3.0685 3.0732 3.1469 3.1520 3.6948 3.6959 3.8765 3.8783 5.3498 5.3503 6.0278 6.0288 6.0425 6.0444 6.2161 6.2167 6.7283 6.7302 6.7508 6.7534 8.2248 8.2276 8.2378 8.2419 8.3309 8.3350 8.4174 8.4204 11.0518 11.0520 11.1679 11.1685 11.2755 11.2778 11.3941 11.3954 14.3445 14.3448 14.4097 14.4104 k = 0.3333 0.5774 1.1657 ( 4842 PWs) bands (ev): -7.1204 -7.1201 -7.1111 -7.1106 -7.0562 -7.0559 -6.6289 -6.6286 -6.6196 -6.6196 -6.4697 -6.4694 -3.9226 -3.9226 -3.8993 -3.8991 -1.1395 -1.1394 -1.0171 -1.0169 0.0268 0.0272 0.0809 0.0814 0.1209 0.1213 0.6463 0.6468 1.4543 1.4543 2.3622 2.3624 2.4348 2.4428 2.5010 2.5089 3.0878 3.0929 3.1782 3.1839 3.6640 3.6644 3.8378 3.8391 5.4172 5.4177 6.0750 6.0763 6.0898 6.0919 6.1686 6.1692 6.6891 6.6909 6.7098 6.7122 8.2488 8.2516 8.2572 8.2613 8.3386 8.3428 8.4194 8.4225 11.0226 11.0229 11.1245 11.1251 11.2512 11.2534 11.3541 11.3555 14.3656 14.3660 14.4297 14.4304 k = 0.3333 0.5774 1.1895 ( 4833 PWs) bands (ev): -7.0752 -7.0750 -7.0662 -7.0657 -6.9983 -6.9980 -6.6423 -6.6421 -6.6333 -6.6333 -6.5066 -6.5062 -3.9066 -3.9066 -3.8864 -3.8863 -1.1597 -1.1595 -1.0556 -1.0554 -0.0015 -0.0010 0.0783 0.0787 0.1018 0.1023 0.5738 0.5743 1.5263 1.5263 2.2881 2.2882 2.4248 2.4328 2.4760 2.4839 3.1136 3.1190 3.2106 3.2169 3.6348 3.6351 3.7980 3.7989 5.4851 5.4856 6.1175 6.1181 6.1222 6.1238 6.1367 6.1391 6.6489 6.6504 6.6678 6.6700 8.2723 8.2752 8.2754 8.2795 8.3445 8.3487 8.4186 8.4217 10.9992 10.9995 11.0858 11.0865 11.2319 11.2342 11.3186 11.3202 14.3886 14.3891 14.4514 14.4524 k = 0.3333 0.5774 1.2133 ( 4845 PWs) bands (ev): -7.0337 -7.0334 -7.0252 -7.0248 -6.9414 -6.9411 -6.6572 -6.6571 -6.6489 -6.6488 -6.5462 -6.5458 -3.8928 -3.8928 -3.8761 -3.8760 -1.1742 -1.1740 -1.0895 -1.0893 -0.0231 -0.0227 0.0415 0.0419 0.1273 0.1278 0.5056 0.5061 1.6001 1.6001 2.2128 2.2129 2.4150 2.4230 2.4535 2.4613 3.1436 3.1493 3.2407 3.2476 3.6091 3.6102 3.7577 3.7581 5.5531 5.5536 6.0633 6.0639 6.1685 6.1704 6.1826 6.1853 6.6084 6.6096 6.6256 6.6275 8.2921 8.2950 8.2962 8.2980 8.3483 8.3525 8.4149 8.4180 10.9816 10.9820 11.0521 11.0527 11.2178 11.2201 11.2878 11.2896 14.4135 14.4142 14.4744 14.4756 k = 0.3333 0.5774 1.2371 ( 4839 PWs) bands (ev): -6.9970 -6.9968 -6.9895 -6.9891 -6.8858 -6.8855 -6.6726 -6.6725 -6.6652 -6.6651 -6.5882 -6.5879 -3.8814 -3.8813 -3.8686 -3.8684 -1.1830 -1.1827 -1.1187 -1.1184 -0.0381 -0.0376 0.0109 0.0113 0.1577 0.1582 0.4418 0.4423 1.6752 1.6752 2.1366 2.1367 2.4069 2.4148 2.4344 2.4421 3.1756 3.1818 3.2642 3.2718 3.5906 3.5925 3.7176 3.7177 5.6210 5.6215 6.0061 6.0067 6.2131 6.2154 6.2263 6.2294 6.5689 6.5698 6.5842 6.5858 8.3071 8.3113 8.3166 8.3196 8.3497 8.3540 8.4083 8.4115 10.9700 10.9704 11.0236 11.0241 11.2088 11.2111 11.2618 11.2637 14.4401 14.4409 14.4973 14.4988 k = 0.3333 0.5774 1.2609 ( 4851 PWs) bands (ev): -6.9668 -6.9667 -6.9610 -6.9607 -6.8317 -6.8313 -6.6864 -6.6864 -6.6807 -6.6806 -6.6327 -6.6323 -3.8724 -3.8724 -3.8638 -3.8637 -1.1861 -1.1858 -1.1428 -1.1426 -0.0464 -0.0459 -0.0135 -0.0130 0.1929 0.1934 0.3825 0.3830 1.7512 1.7513 2.0597 2.0598 2.4015 2.4094 2.4193 2.4270 3.2077 3.2142 3.2768 3.2849 3.5835 3.5860 3.6783 3.6790 5.6884 5.6889 5.9463 5.9469 6.2538 6.2565 6.2650 6.2685 6.5331 6.5336 6.5456 6.5468 8.3201 8.3243 8.3368 8.3399 8.3488 8.3530 8.3990 8.4021 10.9643 10.9647 11.0003 11.0009 11.2049 11.2071 11.2407 11.2426 14.4675 14.4686 14.5167 14.5186 k = 0.3333 0.5774 1.2847 ( 4845 PWs) bands (ev): -6.9460 -6.9458 -6.9427 -6.9425 -6.7791 -6.7788 -6.6960 -6.6959 -6.6928 -6.6927 -6.6792 -6.6789 -3.8662 -3.8661 -3.8618 -3.8617 -1.1835 -1.1833 -1.1617 -1.1615 -0.0481 -0.0476 -0.0315 -0.0310 0.2330 0.2335 0.3279 0.3284 1.8280 1.8280 1.9825 1.9826 2.3997 2.4075 2.4084 2.4161 3.2372 3.2443 3.2756 3.2837 3.5909 3.5933 3.6421 3.6434 5.7550 5.7555 5.8843 5.8849 6.2862 6.2895 6.2934 6.2972 6.5066 6.5067 6.5144 6.5150 8.3309 8.3351 8.3453 8.3495 8.3553 8.3583 8.3872 8.3902 10.9645 10.9650 10.9827 10.9832 11.2059 11.2080 11.2247 11.2267 14.4941 14.4955 14.5251 14.5272 k = 0.3333 0.5774 1.3084 ( 4848 PWs) bands (ev): -6.9373 -6.9373 -6.9371 -6.9371 -6.7285 -6.7285 -6.7280 -6.7280 -6.6984 -6.6984 -6.6980 -6.6980 -3.8626 -3.8626 -3.8625 -3.8625 -1.1754 -1.1754 -1.1751 -1.1751 -0.0431 -0.0431 -0.0426 -0.0426 0.2779 0.2779 0.2787 0.2787 1.9047 1.9047 1.9058 1.9058 2.4019 2.4019 2.4096 2.4096 3.2612 3.2612 3.2689 3.2689 3.6116 3.6116 3.6136 3.6136 5.8193 5.8193 5.8221 5.8221 6.3019 6.3019 6.3057 6.3057 6.4990 6.4990 6.4990 6.4990 8.3394 8.3394 8.3436 8.3436 8.3701 8.3701 8.3776 8.3776 10.9707 10.9707 10.9712 10.9712 11.2105 11.2105 11.2172 11.2172 14.5159 14.5159 14.5178 14.5178 Writing output data file Si3N4.save init_run : 1.08s CPU 0.63s WALL ( 1 calls) electrons : 403.65s CPU 319.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.04s CPU 0.04s WALL ( 1 calls) potinit : 0.08s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 403.64s CPU 319.30s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.42s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.66s CPU 0.67s WALL ( 306 calls) cegterg : 338.28s CPU 280.79s WALL ( 425 calls) Called by sum_band: Called by *egterg: h_psi : 206.57s CPU 146.15s WALL ( 7156 calls) s_psi : 26.52s CPU 18.52s WALL ( 7156 calls) g_psi : 0.48s CPU 0.36s WALL ( 6425 calls) cdiaghg : 118.91s CPU 111.22s WALL ( 6731 calls) cegterg:over : 15.10s CPU 13.05s WALL ( 6425 calls) cegterg:upda : 12.58s CPU 10.88s WALL ( 6425 calls) cegterg:last : 4.90s CPU 4.79s WALL ( 1037 calls) cdiaghg:chol : 6.70s CPU 6.48s WALL ( 6731 calls) cdiaghg:inve : 4.88s CPU 4.66s WALL ( 6731 calls) cdiaghg:para : 8.34s CPU 8.17s WALL ( 13462 calls) Called by h_psi: h_psi:vloc : 147.87s CPU 103.63s WALL ( 7156 calls) h_psi:vnl : 58.16s CPU 42.10s WALL ( 7156 calls) add_vuspsi : 32.70s CPU 23.20s WALL ( 7156 calls) General routines calbec : 25.41s CPU 18.88s WALL ( 7156 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 136.97s CPU 95.27s WALL ( 1090688 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.29s CPU 1.41s WALL ( 612 calls) Parallel routines fft_scatter : 65.24s CPU 50.30s WALL ( 1090711 calls) PWSCF : 7m 7.14s CPU 5m55.93s WALL This run was terminated on: 4:31:57 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=