Program PWSCF v.5.4.0 starts on 20Mar2017 at 20:36:30 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./BaSiPt.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 30 8 4163 1068 160 Max 76 31 9 4168 1091 167 Sum 5417 2209 621 299939 77605 11753 bravais-lattice index = 14 lattice parameter (alat) = 12.5346 a.u. unit-cell volume = 1969.3663 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 96.00 number of Kohn-Sham states= 116 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.534552 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Pt 10.00 195.08400 Pt( 1.00) Si 4.00 28.08550 Si( 1.00) 12 Sym. Ops. (no inversion) found ( 9 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 =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) double point group T (23) there are 7 classes and 3 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 G_6 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 G_7 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 G_7 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 3C2 -3C2 2 -2 3 -3 4 -4 180 deg rotation - cart. axis [0,0,1] 4C3 9 12 10 11 120 deg rotation - cart. axis [1,1,1] -4C3 -9 -12 -10 -11 120 deg rotation - cart. axis [1,1,1] E 4C3' 5 7 8 6 120 deg rotation - cart. axis [-1,-1,-1] -4C3' -5 -7 -8 -6 120 deg rotation - cart. axis [-1,-1,-1] E Cartesian axes number of k points= 188 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053191 k( 2) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0053191 k( 3) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0053191 k( 4) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0053191 k( 5) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0053191 k( 6) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0053191 k( 7) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0053191 k( 8) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0053191 k( 9) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0053191 k( 10) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0053191 k( 11) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0053191 k( 12) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0053191 k( 13) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0053191 k( 14) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0053191 k( 15) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0053191 k( 16) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0053191 k( 17) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0053191 k( 18) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0053191 k( 19) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0053191 k( 20) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0053191 k( 21) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0053191 k( 22) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0053191 k( 23) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0053191 k( 24) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0053191 k( 25) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053191 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053191 k( 27) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0053191 k( 28) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0053191 k( 29) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0053191 k( 30) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0053191 k( 31) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0053191 k( 32) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0053191 k( 33) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0053191 k( 34) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0053191 k( 35) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0053191 k( 36) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0053191 k( 37) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0053191 k( 38) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0053191 k( 39) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0053191 k( 40) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0053191 k( 41) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0053191 k( 42) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0053191 k( 43) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0053191 k( 44) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0053191 k( 45) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0053191 k( 46) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0053191 k( 47) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0053191 k( 48) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0053191 k( 49) = ( 0.4791667 0.5000000 -0.0000000), wk = 0.0053191 k( 50) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053191 k( 51) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053191 k( 52) = ( 0.4852941 0.4852941 -0.0000000), wk = 0.0053191 k( 53) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0053191 k( 54) = ( 0.4558823 0.4558823 -0.0000000), wk = 0.0053191 k( 55) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0053191 k( 56) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0053191 k( 57) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0053191 k( 58) = ( 0.3970588 0.3970588 -0.0000000), wk = 0.0053191 k( 59) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0053191 k( 60) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0053191 k( 61) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0053191 k( 62) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0053191 k( 63) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0053191 k( 64) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0053191 k( 65) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0053191 k( 66) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0053191 k( 67) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0053191 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0053191 k( 69) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0053191 k( 70) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0053191 k( 71) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0053191 k( 72) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0053191 k( 73) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0053191 k( 74) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0053191 k( 75) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0053191 k( 76) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0053191 k( 77) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0053191 k( 78) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0053191 k( 79) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0053191 k( 80) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0053191 k( 81) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0053191 k( 82) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0053191 k( 83) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0053191 k( 84) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0053191 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053191 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053191 k( 87) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0053191 k( 88) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0053191 k( 89) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0053191 k( 90) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0053191 k( 91) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0053191 k( 92) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0053191 k( 93) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0053191 k( 94) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0053191 k( 95) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0053191 k( 96) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0053191 k( 97) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0053191 k( 98) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0053191 k( 99) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0053191 k( 100) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0053191 k( 101) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0053191 k( 102) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0053191 k( 103) = ( 0.2023810 0.2023809 0.2023809), wk = 0.0053191 k( 104) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0053191 k( 105) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0053191 k( 106) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0053191 k( 107) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0053191 k( 108) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0053191 k( 109) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0053191 k( 110) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0053191 k( 111) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0053191 k( 112) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0053191 k( 113) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0053191 k( 114) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0053191 k( 115) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0053191 k( 116) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0053191 k( 117) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0053191 k( 118) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0053191 k( 119) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0053191 k( 120) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0053191 k( 121) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0053191 k( 122) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0053191 k( 123) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0053191 k( 124) = ( 0.4523810 0.4523809 0.4523809), wk = 0.0053191 k( 125) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0053191 k( 126) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0053191 k( 127) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0053191 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053191 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053191 k( 130) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0053191 k( 131) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0053191 k( 132) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0053191 k( 133) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0053191 k( 134) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0053191 k( 135) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0053191 k( 136) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0053191 k( 137) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0053191 k( 138) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0053191 k( 139) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0053191 k( 140) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0053191 k( 141) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0053191 k( 142) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0053191 k( 143) = ( 0.2941177 0.5000000 0.2941176), wk = 0.0053191 k( 144) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0053191 k( 145) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0053191 k( 146) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0053191 k( 147) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0053191 k( 148) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0053191 k( 149) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0053191 k( 150) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0053191 k( 151) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0053191 k( 152) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0053191 k( 153) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0053191 k( 154) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0053191 k( 155) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0053191 k( 156) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0053191 k( 157) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0053191 k( 158) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0053191 k( 159) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0053191 k( 160) = ( 0.0441177 0.5000000 0.0441176), wk = 0.0053191 k( 161) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0053191 k( 162) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0053191 k( 163) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053191 k( 164) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053191 k( 165) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0053191 k( 166) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0053191 k( 167) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0053191 k( 168) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0053191 k( 169) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0053191 k( 170) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0053191 k( 171) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0053191 k( 172) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0053191 k( 173) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0053191 k( 174) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0053191 k( 175) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0053191 k( 176) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0053191 k( 177) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0053191 k( 178) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0053191 k( 179) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0053191 k( 180) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0053191 k( 181) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0053191 k( 182) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0053191 k( 183) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0053191 k( 184) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0053191 k( 185) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0053191 k( 186) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0053191 k( 187) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0053191 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053191 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053191 k( 2) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0053191 k( 3) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0053191 k( 4) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0053191 k( 5) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0053191 k( 6) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0053191 k( 7) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0053191 k( 8) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0053191 k( 9) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0053191 k( 10) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0053191 k( 11) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0053191 k( 12) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0053191 k( 13) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0053191 k( 14) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0053191 k( 15) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0053191 k( 16) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0053191 k( 17) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0053191 k( 18) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0053191 k( 19) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0053191 k( 20) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0053191 k( 21) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0053191 k( 22) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0053191 k( 23) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0053191 k( 24) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0053191 k( 25) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053191 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053191 k( 27) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0053191 k( 28) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0053191 k( 29) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0053191 k( 30) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0053191 k( 31) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0053191 k( 32) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0053191 k( 33) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0053191 k( 34) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0053191 k( 35) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0053191 k( 36) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0053191 k( 37) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0053191 k( 38) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0053191 k( 39) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0053191 k( 40) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0053191 k( 41) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0053191 k( 42) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0053191 k( 43) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0053191 k( 44) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0053191 k( 45) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0053191 k( 46) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0053191 k( 47) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0053191 k( 48) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0053191 k( 49) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0053191 k( 50) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053191 k( 51) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053191 k( 52) = ( 0.4852941 0.4852941 0.0000000), wk = 0.0053191 k( 53) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0053191 k( 54) = ( 0.4558823 0.4558823 0.0000000), wk = 0.0053191 k( 55) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0053191 k( 56) = ( 0.4264706 0.4264706 0.0000000), wk = 0.0053191 k( 57) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0053191 k( 58) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0053191 k( 59) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0053191 k( 60) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0053191 k( 61) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0053191 k( 62) = ( 0.3382353 0.3382353 0.0000000), wk = 0.0053191 k( 63) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0053191 k( 64) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0053191 k( 65) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0053191 k( 66) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0053191 k( 67) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0053191 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0053191 k( 69) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0053191 k( 70) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0053191 k( 71) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0053191 k( 72) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0053191 k( 73) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0053191 k( 74) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0053191 k( 75) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0053191 k( 76) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0053191 k( 77) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0053191 k( 78) = ( 0.1029412 0.1029412 0.0000000), wk = 0.0053191 k( 79) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0053191 k( 80) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0053191 k( 81) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0053191 k( 82) = ( 0.0441177 0.0441177 0.0000000), wk = 0.0053191 k( 83) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0053191 k( 84) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0053191 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053191 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053191 k( 87) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0053191 k( 88) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0053191 k( 89) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0053191 k( 90) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0053191 k( 91) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0053191 k( 92) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0053191 k( 93) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0053191 k( 94) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0053191 k( 95) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0053191 k( 96) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0053191 k( 97) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0053191 k( 98) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0053191 k( 99) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0053191 k( 100) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0053191 k( 101) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0053191 k( 102) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0053191 k( 103) = ( 0.2023810 0.2023810 0.2023810), wk = 0.0053191 k( 104) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0053191 k( 105) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0053191 k( 106) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0053191 k( 107) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0053191 k( 108) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0053191 k( 109) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0053191 k( 110) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0053191 k( 111) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0053191 k( 112) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0053191 k( 113) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0053191 k( 114) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0053191 k( 115) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0053191 k( 116) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0053191 k( 117) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0053191 k( 118) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0053191 k( 119) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0053191 k( 120) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0053191 k( 121) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0053191 k( 122) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0053191 k( 123) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0053191 k( 124) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0053191 k( 125) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0053191 k( 126) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0053191 k( 127) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0053191 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053191 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053191 k( 130) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0053191 k( 131) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0053191 k( 132) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0053191 k( 133) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0053191 k( 134) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0053191 k( 135) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0053191 k( 136) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0053191 k( 137) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0053191 k( 138) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0053191 k( 139) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0053191 k( 140) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0053191 k( 141) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0053191 k( 142) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0053191 k( 143) = ( 0.2941177 0.5000000 0.2941177), wk = 0.0053191 k( 144) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0053191 k( 145) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0053191 k( 146) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0053191 k( 147) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0053191 k( 148) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0053191 k( 149) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0053191 k( 150) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0053191 k( 151) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0053191 k( 152) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0053191 k( 153) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0053191 k( 154) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0053191 k( 155) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0053191 k( 156) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0053191 k( 157) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0053191 k( 158) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0053191 k( 159) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0053191 k( 160) = ( 0.0441177 0.5000000 0.0441177), wk = 0.0053191 k( 161) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0053191 k( 162) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0053191 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053191 k( 164) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053191 k( 165) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0053191 k( 166) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0053191 k( 167) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0053191 k( 168) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0053191 k( 169) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0053191 k( 170) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0053191 k( 171) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0053191 k( 172) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0053191 k( 173) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0053191 k( 174) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0053191 k( 175) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0053191 k( 176) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0053191 k( 177) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0053191 k( 178) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0053191 k( 179) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0053191 k( 180) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0053191 k( 181) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0053191 k( 182) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0053191 k( 183) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0053191 k( 184) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0053191 k( 185) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0053191 k( 186) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0053191 k( 187) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0053191 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053191 Dense grid: 299939 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 77605 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 274, 116) NL pseudopotentials 0.86 Mb ( 137, 412) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 4165) G-vector shells 0.01 Mb ( 987) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.94 Mb ( 274, 464) Each subspace H/S matrix 0.09 Mb ( 77, 77) Each matrix 1.46 Mb ( 412, 2, 116) The potential is recalculated from file : ./BaSiPt.save/charge-density.dat Starting wfc are 144 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 12.4 secs Computing kpt #: 2 total cpu time spent up to now is 20.9 secs Computing kpt #: 3 total cpu time spent up to now is 28.7 secs Computing kpt #: 4 total cpu time spent up to now is 36.3 secs Computing kpt #: 5 total cpu time spent up to now is 43.7 secs Computing kpt #: 6 total cpu time spent up to now is 51.6 secs Computing kpt #: 7 total cpu time spent up to now is 59.0 secs Computing kpt #: 8 total cpu time spent up to now is 66.9 secs Computing kpt #: 9 total cpu time spent up to now is 74.8 secs Computing kpt #: 10 total cpu time spent up to now is 82.3 secs Computing kpt #: 11 total cpu time spent up to now is 90.0 secs Computing kpt #: 12 total cpu time spent up to now is 98.3 secs Computing kpt #: 13 total cpu time spent up to now is 106.6 secs Computing kpt #: 14 total cpu time spent up to now is 114.4 secs Computing kpt #: 15 total cpu time spent up to now is 122.4 secs Computing kpt #: 16 total cpu time spent up to now is 130.6 secs Computing kpt #: 17 total cpu time spent up to now is 138.9 secs Computing kpt #: 18 total cpu time spent up to now is 147.2 secs Computing kpt #: 19 total cpu time spent up to now is 154.6 secs Computing kpt #: 20 total cpu time spent up to now is 162.6 secs Computing kpt #: 21 total cpu time spent up to now is 170.2 secs Computing kpt #: 22 total cpu time spent up to now is 178.9 secs Computing kpt #: 23 total cpu time spent up to now is 187.0 secs Computing kpt #: 24 total cpu time spent up to now is 194.4 secs Computing kpt #: 25 total cpu time spent up to now is 203.2 secs Computing kpt #: 26 total cpu time spent up to now is 210.2 secs Computing kpt #: 27 total cpu time spent up to now is 217.1 secs Computing kpt #: 28 total cpu time spent up to now is 225.6 secs Computing kpt #: 29 total cpu time spent up to now is 232.7 secs Computing kpt #: 30 total cpu time spent up to now is 241.4 secs Computing kpt #: 31 total cpu time spent up to now is 249.3 secs Computing kpt #: 32 total cpu time spent up to now is 256.3 secs Computing kpt #: 33 total cpu time spent up to now is 263.7 secs Computing kpt #: 34 total cpu time spent up to now is 270.7 secs Computing kpt #: 35 total cpu time spent up to now is 277.6 secs Computing kpt #: 36 total cpu time spent up to now is 284.9 secs Computing kpt #: 37 total cpu time spent up to now is 292.1 secs Computing kpt #: 38 total cpu time spent up to now is 299.9 secs Computing kpt #: 39 total cpu time spent up to now is 308.3 secs Computing kpt #: 40 total cpu time spent up to now is 316.9 secs Computing kpt #: 41 total cpu time spent up to now is 324.6 secs Computing kpt #: 42 total cpu time spent up to now is 331.8 secs Computing kpt #: 43 total cpu time spent up to now is 338.7 secs Computing kpt #: 44 total cpu time spent up to now is 345.8 secs Computing kpt #: 45 total cpu time spent up to now is 352.7 secs Computing kpt #: 46 total cpu time spent up to now is 359.8 secs Computing kpt #: 47 total cpu time spent up to now is 366.9 secs Computing kpt #: 48 total cpu time spent up to now is 373.7 secs Computing kpt #: 49 total cpu time spent up to now is 380.1 secs Computing kpt #: 50 total cpu time spent up to now is 387.3 secs Computing kpt #: 51 total cpu time spent up to now is 394.1 secs Computing kpt #: 52 total cpu time spent up to now is 401.6 secs Computing kpt #: 53 total cpu time spent up to now is 408.8 secs Computing kpt #: 54 total cpu time spent up to now is 416.0 secs Computing kpt #: 55 total cpu time spent up to now is 423.0 secs Computing kpt #: 56 total cpu time spent up to now is 430.6 secs Computing kpt #: 57 total cpu time spent up to now is 438.6 secs Computing kpt #: 58 total cpu time spent up to now is 446.0 secs Computing kpt #: 59 total cpu time spent up to now is 453.7 secs Computing kpt #: 60 total cpu time spent up to now is 460.4 secs Computing kpt #: 61 total cpu time spent up to now is 467.5 secs Computing kpt #: 62 total cpu time spent up to now is 475.5 secs Computing kpt #: 63 total cpu time spent up to now is 483.7 secs Computing kpt #: 64 total cpu time spent up to now is 492.3 secs Computing kpt #: 65 total cpu time spent up to now is 500.9 secs Computing kpt #: 66 total cpu time spent up to now is 508.9 secs Computing kpt #: 67 total cpu time spent up to now is 516.6 secs Computing kpt #: 68 total cpu time spent up to now is 524.3 secs Computing kpt #: 69 total cpu time spent up to now is 532.1 secs Computing kpt #: 70 total cpu time spent up to now is 540.0 secs Computing kpt #: 71 total cpu time spent up to now is 549.4 secs Computing kpt #: 72 total cpu time spent up to now is 557.1 secs Computing kpt #: 73 total cpu time spent up to now is 564.3 secs Computing kpt #: 74 total cpu time spent up to now is 571.6 secs Computing kpt #: 75 total cpu time spent up to now is 578.8 secs Computing kpt #: 76 total cpu time spent up to now is 585.6 secs Computing kpt #: 77 total cpu time spent up to now is 593.6 secs Computing kpt #: 78 total cpu time spent up to now is 601.9 secs Computing kpt #: 79 total cpu time spent up to now is 610.0 secs Computing kpt #: 80 total cpu time spent up to now is 618.4 secs Computing kpt #: 81 total cpu time spent up to now is 626.1 secs Computing kpt #: 82 total cpu time spent up to now is 633.9 secs Computing kpt #: 83 total cpu time spent up to now is 641.9 secs Computing kpt #: 84 total cpu time spent up to now is 649.9 secs Computing kpt #: 85 total cpu time spent up to now is 656.6 secs Computing kpt #: 86 total cpu time spent up to now is 663.6 secs Computing kpt #: 87 total cpu time spent up to now is 671.4 secs Computing kpt #: 88 total cpu time spent up to now is 678.9 secs Computing kpt #: 89 total cpu time spent up to now is 687.0 secs Computing kpt #: 90 total cpu time spent up to now is 695.7 secs Computing kpt #: 91 total cpu time spent up to now is 703.5 secs Computing kpt #: 92 total cpu time spent up to now is 711.5 secs Computing kpt #: 93 total cpu time spent up to now is 719.7 secs Computing kpt #: 94 total cpu time spent up to now is 727.1 secs Computing kpt #: 95 total cpu time spent up to now is 734.1 secs Computing kpt #: 96 total cpu time spent up to now is 741.3 secs Computing kpt #: 97 total cpu time spent up to now is 748.8 secs Computing kpt #: 98 total cpu time spent up to now is 757.1 secs Computing kpt #: 99 total cpu time spent up to now is 764.4 secs Computing kpt #: 100 total cpu time spent up to now is 772.4 secs Computing kpt #: 101 total cpu time spent up to now is 780.7 secs Computing kpt #: 102 total cpu time spent up to now is 787.8 secs Computing kpt #: 103 total cpu time spent up to now is 795.8 secs Computing kpt #: 104 total cpu time spent up to now is 802.3 secs Computing kpt #: 105 total cpu time spent up to now is 808.9 secs Computing kpt #: 106 total cpu time spent up to now is 817.2 secs Computing kpt #: 107 total cpu time spent up to now is 826.3 secs Computing kpt #: 108 total cpu time spent up to now is 835.0 secs Computing kpt #: 109 total cpu time spent up to now is 843.8 secs Computing kpt #: 110 total cpu time spent up to now is 852.0 secs Computing kpt #: 111 total cpu time spent up to now is 860.6 secs Computing kpt #: 112 total cpu time spent up to now is 868.2 secs Computing kpt #: 113 total cpu time spent up to now is 875.7 secs Computing kpt #: 114 total cpu time spent up to now is 883.9 secs Computing kpt #: 115 total cpu time spent up to now is 891.2 secs Computing kpt #: 116 total cpu time spent up to now is 898.7 secs Computing kpt #: 117 total cpu time spent up to now is 906.4 secs Computing kpt #: 118 total cpu time spent up to now is 914.7 secs Computing kpt #: 119 total cpu time spent up to now is 923.0 secs Computing kpt #: 120 total cpu time spent up to now is 930.8 secs Computing kpt #: 121 total cpu time spent up to now is 938.5 secs Computing kpt #: 122 total cpu time spent up to now is 947.1 secs Computing kpt #: 123 total cpu time spent up to now is 954.8 secs Computing kpt #: 124 total cpu time spent up to now is 962.3 secs Computing kpt #: 125 total cpu time spent up to now is 970.2 secs Computing kpt #: 126 total cpu time spent up to now is 978.5 secs Computing kpt #: 127 total cpu time spent up to now is 988.7 secs Computing kpt #: 128 total cpu time spent up to now is 1001.6 secs Computing kpt #: 129 total cpu time spent up to now is 1013.2 secs Computing kpt #: 130 total cpu time spent up to now is 1023.5 secs Computing kpt #: 131 total cpu time spent up to now is 1031.5 secs Computing kpt #: 132 total cpu time spent up to now is 1039.1 secs Computing kpt #: 133 total cpu time spent up to now is 1047.0 secs Computing kpt #: 134 total cpu time spent up to now is 1055.3 secs Computing kpt #: 135 total cpu time spent up to now is 1063.7 secs Computing kpt #: 136 total cpu time spent up to now is 1071.7 secs Computing kpt #: 137 total cpu time spent up to now is 1078.8 secs Computing kpt #: 138 total cpu time spent up to now is 1085.8 secs Computing kpt #: 139 total cpu time spent up to now is 1092.9 secs Computing kpt #: 140 total cpu time spent up to now is 1100.2 secs Computing kpt #: 141 total cpu time spent up to now is 1108.6 secs Computing kpt #: 142 total cpu time spent up to now is 1115.6 secs Computing kpt #: 143 total cpu time spent up to now is 1122.8 secs Computing kpt #: 144 total cpu time spent up to now is 1130.3 secs Computing kpt #: 145 total cpu time spent up to now is 1138.3 secs Computing kpt #: 146 total cpu time spent up to now is 1145.5 secs Computing kpt #: 147 total cpu time spent up to now is 1152.6 secs Computing kpt #: 148 total cpu time spent up to now is 1159.6 secs Computing kpt #: 149 total cpu time spent up to now is 1166.7 secs Computing kpt #: 150 total cpu time spent up to now is 1173.7 secs Computing kpt #: 151 total cpu time spent up to now is 1180.9 secs Computing kpt #: 152 total cpu time spent up to now is 1187.7 secs Computing kpt #: 153 total cpu time spent up to now is 1195.1 secs Computing kpt #: 154 total cpu time spent up to now is 1202.3 secs Computing kpt #: 155 total cpu time spent up to now is 1209.6 secs Computing kpt #: 156 total cpu time spent up to now is 1216.8 secs Computing kpt #: 157 total cpu time spent up to now is 1223.7 secs Computing kpt #: 158 total cpu time spent up to now is 1231.0 secs Computing kpt #: 159 total cpu time spent up to now is 1238.1 secs Computing kpt #: 160 total cpu time spent up to now is 1244.5 secs Computing kpt #: 161 total cpu time spent up to now is 1251.9 secs Computing kpt #: 162 total cpu time spent up to now is 1260.1 secs Computing kpt #: 163 total cpu time spent up to now is 1267.5 secs Computing kpt #: 164 total cpu time spent up to now is 1274.6 secs Computing kpt #: 165 total cpu time spent up to now is 1282.0 secs Computing kpt #: 166 total cpu time spent up to now is 1289.6 secs Computing kpt #: 167 total cpu time spent up to now is 1296.8 secs Computing kpt #: 168 total cpu time spent up to now is 1303.2 secs Computing kpt #: 169 total cpu time spent up to now is 1309.8 secs Computing kpt #: 170 total cpu time spent up to now is 1316.3 secs Computing kpt #: 171 total cpu time spent up to now is 1322.3 secs Computing kpt #: 172 total cpu time spent up to now is 1328.8 secs Computing kpt #: 173 total cpu time spent up to now is 1335.7 secs Computing kpt #: 174 total cpu time spent up to now is 1342.8 secs Computing kpt #: 175 total cpu time spent up to now is 1350.2 secs Computing kpt #: 176 total cpu time spent up to now is 1357.9 secs Computing kpt #: 177 total cpu time spent up to now is 1365.1 secs Computing kpt #: 178 total cpu time spent up to now is 1372.3 secs Computing kpt #: 179 total cpu time spent up to now is 1378.8 secs Computing kpt #: 180 total cpu time spent up to now is 1385.8 secs Computing kpt #: 181 total cpu time spent up to now is 1393.0 secs Computing kpt #: 182 total cpu time spent up to now is 1400.1 secs Computing kpt #: 183 total cpu time spent up to now is 1407.9 secs Computing kpt #: 184 total cpu time spent up to now is 1414.9 secs Computing kpt #: 185 total cpu time spent up to now is 1422.8 secs Computing kpt #: 186 total cpu time spent up to now is 1431.3 secs Computing kpt #: 187 total cpu time spent up to now is 1443.0 secs Computing kpt #: 188 total cpu time spent up to now is 1455.4 secs ethr = 1.04E-08, avg # of iterations = 30.2 total cpu time spent up to now is 1455.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9771 PWs) bands (ev): -16.8616 -16.8616 -16.7643 -16.7643 -16.7643 -16.7643 -16.7643 -16.7643 -3.6567 -3.6567 -3.6508 -3.6508 -3.6508 -3.6508 -3.3781 -3.3781 -1.9027 -1.9027 -1.9027 -1.9027 -1.8248 -1.8248 -1.6253 -1.6253 -1.6253 -1.6253 -1.4534 -1.4534 -1.3540 -1.3540 -1.3540 -1.3540 1.4209 1.4209 2.8256 2.8256 2.8256 2.8256 2.8278 2.8278 5.5512 5.5512 5.5512 5.5512 5.8748 5.8748 5.9385 5.9385 5.9385 5.9385 6.5566 6.5566 6.6608 6.6608 6.6608 6.6608 6.7430 6.7430 6.8721 6.8721 6.9793 6.9793 6.9793 6.9793 7.4758 7.4758 7.4758 7.4758 7.7256 7.7256 7.7256 7.7256 7.7504 7.7504 7.9626 7.9626 7.9626 7.9626 8.1761 8.1761 8.6795 8.6795 8.6795 8.6795 8.7443 8.7443 9.5187 9.5187 9.8411 9.8411 9.8650 9.8650 9.8650 9.8650 10.3929 10.3929 10.3929 10.3929 11.6606 11.6606 11.6606 11.6606 11.7307 11.7307 12.1908 12.1908 12.3757 12.3757 12.3757 12.3757 13.2846 13.2846 13.6059 13.6059 13.7475 13.7475 k = 0.0000 0.0208-0.0000 ( 9771 PWs) bands (ev): -16.8616 -16.8616 -16.7659 -16.7659 -16.7643 -16.7643 -16.7628 -16.7628 -3.6602 -3.6537 -3.6533 -3.6517 -3.6495 -3.6478 -3.3784 -3.3784 -1.9115 -1.9056 -1.8995 -1.8938 -1.8340 -1.8151 -1.6336 -1.6317 -1.6186 -1.6173 -1.4565 -1.4507 -1.3559 -1.3544 -1.3537 -1.3536 1.4229 1.4230 2.8064 2.8076 2.8266 2.8267 2.8441 2.8454 5.5359 5.5483 5.5543 5.5662 5.8567 5.8938 5.9325 5.9367 5.9405 5.9437 6.5471 6.5650 6.6434 6.6531 6.6670 6.6773 6.7397 6.7461 6.8684 6.8762 6.9639 6.9765 6.9821 6.9951 7.4630 7.4717 7.4798 7.4891 7.7179 7.7228 7.7274 7.7326 7.7453 7.7588 7.9550 7.9612 7.9650 7.9703 8.1733 8.1788 8.6331 8.6646 8.6763 8.7265 8.7333 8.7736 9.5189 9.5263 9.8207 9.8345 9.8525 9.8565 9.8806 9.8897 10.3786 10.3852 10.3980 10.4042 11.6471 11.6562 11.6661 11.6745 11.7265 11.7369 12.1869 12.1938 12.3638 12.3714 12.3783 12.3866 13.2632 13.2866 13.6054 13.6154 13.7421 13.7525 k = 0.0000 0.0417-0.0000 ( 9775 PWs) bands (ev): -16.8613 -16.8613 -16.7676 -16.7676 -16.7642 -16.7642 -16.7615 -16.7614 -3.6637 -3.6560 -3.6527 -3.6515 -3.6469 -3.6447 -3.3794 -3.3794 -1.9200 -1.9082 -1.8959 -1.8849 -1.8426 -1.8049 -1.6418 -1.6378 -1.6117 -1.6095 -1.4601 -1.4487 -1.3591 -1.3548 -1.3546 -1.3532 1.4291 1.4292 2.7865 2.7876 2.8268 2.8273 2.8618 2.8630 5.5204 5.5456 5.5576 5.5805 5.8401 5.9123 5.9257 5.9360 5.9425 5.9482 6.5364 6.5725 6.6258 6.6442 6.6716 6.6923 6.7363 6.7490 6.8657 6.8800 6.9493 6.9736 6.9848 7.0109 7.4509 7.4679 7.4834 7.5028 7.7097 7.7195 7.7286 7.7392 7.7437 7.7695 7.9472 7.9609 7.9681 7.9781 8.1706 8.1813 8.5878 8.6343 8.6664 8.7371 8.7747 8.8103 9.5270 9.5410 9.7949 9.8026 9.8418 9.8650 9.8969 9.9106 10.3590 10.3780 10.3974 10.4153 11.6331 11.6543 11.6711 11.6880 11.7240 11.7469 12.1817 12.1961 12.3513 12.3651 12.3798 12.3966 13.2306 13.2702 13.6144 13.6244 13.7369 13.7571 k = 0.0000 0.0625-0.0000 ( 9751 PWs) bands (ev): -16.8609 -16.8609 -16.7694 -16.7694 -16.7641 -16.7640 -16.7602 -16.7601 -3.6671 -3.6583 -3.6537 -3.6508 -3.6431 -3.6412 -3.3810 -3.3809 -1.9281 -1.9105 -1.8920 -1.8764 -1.8503 -1.7944 -1.6500 -1.6435 -1.6046 -1.6023 -1.4638 -1.4474 -1.3638 -1.3573 -1.3547 -1.3527 1.4393 1.4394 2.7660 2.7669 2.8273 2.8281 2.8786 2.8796 5.5048 5.5428 5.5611 5.5941 5.8254 5.9182 5.9238 5.9420 5.9444 5.9529 6.5244 6.5787 6.6084 6.6346 6.6746 6.7043 6.7337 6.7517 6.8643 6.8826 6.9364 6.9708 6.9875 7.0266 7.4398 7.4648 7.4862 7.5168 7.7018 7.7162 7.7296 7.7446 7.7456 7.7814 7.9393 7.9618 7.9718 7.9863 8.1681 8.1834 8.5438 8.5995 8.6548 8.7454 8.8231 8.8496 9.5429 9.5620 9.7659 9.7677 9.8317 9.8711 9.9111 9.9273 10.3341 10.3722 10.3902 10.4266 11.6179 11.6544 11.6746 11.6984 11.7241 11.7640 12.1748 12.1981 12.3382 12.3564 12.3805 12.4058 13.1959 13.2444 13.6253 13.6283 13.7328 13.7607 k = 0.0000 0.0833-0.0000 ( 9735 PWs) bands (ev): -16.8604 -16.8604 -16.7712 -16.7712 -16.7639 -16.7639 -16.7590 -16.7590 -3.6704 -3.6604 -3.6549 -3.6505 -3.6389 -3.6376 -3.3831 -3.3831 -1.9359 -1.9126 -1.8877 -1.8695 -1.8558 -1.7835 -1.6580 -1.6487 -1.5973 -1.5957 -1.4675 -1.4468 -1.3698 -1.3611 -1.3547 -1.3522 1.4534 1.4535 2.7449 2.7456 2.8282 2.8292 2.8945 2.8952 5.4896 5.5401 5.5647 5.6067 5.8128 5.9098 5.9244 5.9463 5.9510 5.9648 6.5104 6.5835 6.5919 6.6248 6.6759 6.7097 6.7353 6.7541 6.8646 6.8819 6.9270 6.9679 6.9903 7.0423 7.4297 7.4626 7.4879 7.5309 7.6945 7.7131 7.7304 7.7474 7.7516 7.7937 7.9311 7.9639 7.9759 7.9950 8.1658 8.1850 8.5015 8.5639 8.6433 8.7544 8.8717 8.8901 9.5660 9.5879 9.7313 9.7352 9.8217 9.8753 9.9223 9.9400 10.3047 10.3682 10.3767 10.4379 11.6010 11.6552 11.6755 11.7041 11.7280 11.7894 12.1659 12.1996 12.3248 12.3450 12.3812 12.4144 13.1657 13.2179 13.6289 13.6324 13.7306 13.7632 k = 0.0000 0.1042-0.0000 ( 9719 PWs) bands (ev): -16.8596 -16.8596 -16.7732 -16.7732 -16.7637 -16.7636 -16.7580 -16.7579 -3.6735 -3.6623 -3.6562 -3.6505 -3.6343 -3.6337 -3.3859 -3.3859 -1.9432 -1.9145 -1.8832 -1.8692 -1.8543 -1.7723 -1.6657 -1.6533 -1.5902 -1.5899 -1.4708 -1.4469 -1.3770 -1.3662 -1.3547 -1.3518 1.4713 1.4715 2.7233 2.7237 2.8293 2.8305 2.9092 2.9096 5.4748 5.5373 5.5682 5.6184 5.8025 5.9008 5.9225 5.9483 5.9538 5.9849 6.4941 6.5771 6.5861 6.6155 6.6758 6.7067 6.7426 6.7560 6.8666 6.8761 6.9229 6.9652 6.9931 7.0578 7.4210 7.4615 7.4886 7.5452 7.6882 7.7104 7.7311 7.7518 7.7573 7.8059 7.9227 7.9671 7.9802 8.0043 8.1638 8.1856 8.4613 8.5286 8.6326 8.7628 8.9201 8.9313 9.5949 9.6159 9.6955 9.7042 9.8115 9.8776 9.9299 9.9494 10.2722 10.3576 10.3661 10.4484 11.5826 11.6545 11.6734 11.7066 11.7370 11.8210 12.1548 12.2004 12.3110 12.3310 12.3828 12.4232 13.1439 13.1960 13.6282 13.6343 13.7310 13.7643 k = 0.0000 0.1250-0.0000 ( 9731 PWs) bands (ev): -16.8588 -16.8588 -16.7753 -16.7753 -16.7635 -16.7634 -16.7570 -16.7569 -3.6763 -3.6640 -3.6577 -3.6506 -3.6296 -3.6296 -3.3893 -3.3893 -1.9500 -1.9163 -1.8793 -1.8729 -1.8475 -1.7609 -1.6729 -1.6573 -1.5860 -1.5825 -1.4734 -1.4478 -1.3853 -1.3724 -1.3547 -1.3515 1.4928 1.4930 2.7012 2.7012 2.8308 2.8322 2.9228 2.9228 5.4606 5.5344 5.5716 5.6290 5.7946 5.8912 5.9201 5.9502 5.9548 6.0064 6.4751 6.5643 6.5851 6.6084 6.6745 6.6991 6.7517 6.7575 6.8661 6.8703 6.9232 6.9628 6.9959 7.0732 7.4138 7.4617 7.4882 7.5596 7.6831 7.7077 7.7317 7.7574 7.7625 7.8179 7.9142 7.9714 7.9845 8.0144 8.1623 8.1851 8.4236 8.4941 8.6231 8.7705 8.9680 8.9729 9.6251 9.6312 9.6745 9.6771 9.8012 9.8781 9.9335 9.9563 10.2384 10.3340 10.3662 10.4574 11.5631 11.6513 11.6682 11.7072 11.7509 11.8563 12.1418 12.1999 12.2966 12.3148 12.3865 12.4331 13.1325 13.1817 13.6273 13.6314 13.7341 13.7640 k = 0.0000 0.1458-0.0000 ( 9727 PWs) bands (ev): -16.8578 -16.8578 -16.7775 -16.7774 -16.7632 -16.7631 -16.7561 -16.7561 -3.6790 -3.6655 -3.6592 -3.6509 -3.6252 -3.6247 -3.3932 -3.3932 -1.9562 -1.9180 -1.8809 -1.8710 -1.8404 -1.7493 -1.6796 -1.6604 -1.5834 -1.5752 -1.4750 -1.4494 -1.3944 -1.3797 -1.3548 -1.3513 1.5177 1.5178 2.6783 2.6785 2.8326 2.8342 2.9347 2.9352 5.4474 5.5316 5.5746 5.6384 5.7888 5.8811 5.9178 5.9523 5.9548 6.0282 6.4534 6.5539 6.5793 6.6046 6.6723 6.6892 6.7584 6.7606 6.8541 6.8755 6.9256 6.9608 6.9989 7.0884 7.4083 7.4633 7.4868 7.5739 7.6790 7.7051 7.7320 7.7639 7.7669 7.8294 7.9055 7.9765 7.9888 8.0253 8.1613 8.1829 8.3893 8.4607 8.6149 8.7772 9.0147 9.0148 9.6056 9.6279 9.6814 9.6950 9.7905 9.8764 9.9331 9.9624 10.2053 10.3073 10.3689 10.4641 11.5433 11.6458 11.6605 11.7065 11.7679 11.8927 12.1272 12.1970 12.2812 12.2974 12.3936 12.4457 13.1319 13.1762 13.6249 13.6266 13.7396 13.7627 k = 0.0000 0.1667-0.0000 ( 9735 PWs) bands (ev): -16.8566 -16.8566 -16.7797 -16.7797 -16.7628 -16.7627 -16.7554 -16.7553 -3.6815 -3.6668 -3.6609 -3.6513 -3.6206 -3.6197 -3.3977 -3.3976 -1.9619 -1.9197 -1.8853 -1.8654 -1.8340 -1.7376 -1.6856 -1.6626 -1.5828 -1.5681 -1.4753 -1.4518 -1.4042 -1.3879 -1.3550 -1.3513 1.5457 1.5458 2.6548 2.6554 2.8348 2.8366 2.9452 2.9462 5.4353 5.5291 5.5770 5.6467 5.7850 5.8707 5.9156 5.9541 5.9545 6.0498 6.4294 6.5455 6.5705 6.6025 6.6694 6.6778 6.7586 6.7689 6.8415 6.8818 6.9287 6.9594 7.0019 7.1032 7.4045 7.4663 7.4848 7.5883 7.6761 7.7023 7.7320 7.7706 7.7708 7.8407 7.8970 7.9824 7.9928 8.0368 8.1608 8.1784 8.3591 8.4289 8.6082 8.7829 9.0564 9.0598 9.5704 9.6035 9.7140 9.7239 9.7805 9.8722 9.9288 9.9701 10.1754 10.2792 10.3750 10.4675 11.5243 11.6385 11.6511 11.7048 11.7862 11.9277 12.1118 12.1905 12.2644 12.2793 12.4056 12.4625 13.1415 13.1794 13.6161 13.6264 13.7469 13.7604 k = 0.0000 0.1875-0.0000 ( 9723 PWs) bands (ev): -16.8553 -16.8553 -16.7820 -16.7820 -16.7625 -16.7623 -16.7547 -16.7546 -3.6838 -3.6680 -3.6627 -3.6518 -3.6157 -3.6144 -3.4027 -3.4026 -1.9669 -1.9215 -1.8894 -1.8592 -1.8285 -1.7260 -1.6907 -1.6636 -1.5841 -1.5613 -1.4742 -1.4547 -1.4143 -1.3968 -1.3553 -1.3515 1.5765 1.5766 2.6307 2.6317 2.8374 2.8393 2.9543 2.9557 5.4245 5.5271 5.5784 5.6538 5.7825 5.8601 5.9138 5.9527 5.9570 6.0712 6.4034 6.5392 6.5604 6.6001 6.6654 6.6662 6.7580 6.7767 6.8291 6.8885 6.9318 6.9587 7.0049 7.1176 7.4027 7.4706 7.4825 7.6025 7.6742 7.6993 7.7315 7.7732 7.7770 7.8518 7.8887 7.9887 7.9966 8.0487 8.1608 8.1711 8.3339 8.3989 8.6026 8.7873 9.0975 9.1022 9.5354 9.5786 9.7365 9.7480 9.7794 9.8652 9.9220 9.9828 10.1508 10.2519 10.3854 10.4666 11.5073 11.6296 11.6413 11.7020 11.8041 11.9588 12.0966 12.1799 12.2460 12.2610 12.4237 12.4850 13.1601 13.1909 13.6062 13.6267 13.7553 13.7578 k = 0.0000 0.2083-0.0000 ( 9715 PWs) bands (ev): -16.8538 -16.8538 -16.7844 -16.7844 -16.7620 -16.7619 -16.7542 -16.7541 -3.6859 -3.6689 -3.6645 -3.6525 -3.6106 -3.6090 -3.4081 -3.4080 -1.9713 -1.9233 -1.8929 -1.8524 -1.8242 -1.7149 -1.6945 -1.6634 -1.5874 -1.5552 -1.4716 -1.4583 -1.4245 -1.4063 -1.3559 -1.3519 1.6099 1.6100 2.6061 2.6075 2.8404 2.8424 2.9619 2.9638 5.4151 5.5259 5.5787 5.6599 5.7808 5.8498 5.9125 5.9508 5.9597 6.0922 6.3760 6.5346 6.5499 6.5965 6.6529 6.6630 6.7567 6.7842 6.8170 6.8952 6.9348 6.9589 7.0077 7.1312 7.4027 7.4762 7.4805 7.6166 7.6733 7.6963 7.7305 7.7747 7.7817 7.8631 7.8813 7.9952 8.0000 8.0607 8.1607 8.1614 8.3144 8.3712 8.5980 8.7902 9.1376 9.1408 9.5027 9.5578 9.7293 9.7604 9.7991 9.8568 9.9151 10.0036 10.1326 10.2282 10.4018 10.4606 11.4936 11.6195 11.6320 11.6982 11.8201 11.9828 12.0833 12.1654 12.2256 12.2422 12.4488 12.5140 13.1861 13.2094 13.5964 13.6277 13.7554 13.7648 k = 0.0000 0.2292-0.0000 ( 9703 PWs) bands (ev): -16.8522 -16.8522 -16.7869 -16.7869 -16.7616 -16.7614 -16.7537 -16.7536 -3.6877 -3.6697 -3.6665 -3.6532 -3.6052 -3.6033 -3.4140 -3.4139 -1.9751 -1.9254 -1.8957 -1.8453 -1.8214 -1.7063 -1.6947 -1.6618 -1.5925 -1.5501 -1.4678 -1.4624 -1.4341 -1.4163 -1.3568 -1.3526 1.6455 1.6456 2.5810 2.5827 2.8439 2.8459 2.9680 2.9704 5.4073 5.5258 5.5776 5.6650 5.7789 5.8401 5.9117 5.9486 5.9627 6.1126 6.3475 6.5317 6.5392 6.5913 6.6408 6.6600 6.7547 6.7916 6.8054 6.9014 6.9375 6.9603 7.0102 7.1437 7.4045 7.4793 7.4830 7.6305 7.6731 7.6934 7.7288 7.7752 7.7835 7.8747 7.8752 8.0015 8.0030 8.0724 8.1478 8.1625 8.3006 8.3464 8.5938 8.7914 9.1744 9.1762 9.4731 9.5430 9.7080 9.7551 9.8201 9.8507 9.9098 10.0325 10.1199 10.2124 10.4259 10.4489 11.4844 11.6086 11.6244 11.6938 11.8331 11.9961 12.0740 12.1481 12.2035 12.2220 12.4812 12.5495 13.2175 13.2335 13.5877 13.6295 13.7541 13.7749 k = 0.0000 0.2500-0.0000 ( 9714 PWs) bands (ev): -16.8505 -16.8505 -16.7894 -16.7894 -16.7611 -16.7610 -16.7534 -16.7532 -3.6893 -3.6703 -3.6685 -3.6540 -3.5996 -3.5975 -3.4203 -3.4202 -1.9783 -1.9277 -1.8978 -1.8377 -1.8200 -1.7048 -1.6870 -1.6587 -1.5990 -1.5465 -1.4669 -1.4630 -1.4427 -1.4267 -1.3581 -1.3535 1.6831 1.6831 2.5552 2.5573 2.8479 2.8499 2.9726 2.9754 5.4011 5.5271 5.5750 5.6691 5.7760 5.8316 5.9114 5.9462 5.9660 6.1325 6.3184 6.5280 6.5305 6.5842 6.6299 6.6575 6.7518 6.7944 6.7990 6.9068 6.9402 6.9630 7.0124 7.1548 7.4079 7.4794 7.4908 7.6442 7.6732 7.6910 7.7264 7.7748 7.7816 7.8707 7.8865 8.0056 8.0073 8.0834 8.1334 8.1639 8.2916 8.3250 8.5896 8.7902 9.2020 9.2122 9.4478 9.5355 9.6802 9.7334 9.8358 9.8473 9.9062 10.0615 10.1101 10.2121 10.4316 10.4593 11.4804 11.5970 11.6193 11.6888 11.8423 11.9961 12.0703 12.1289 12.1800 12.2003 12.5206 12.5908 13.2524 13.2617 13.5810 13.6322 13.7547 13.7858 k = 0.0000 0.2708-0.0000 ( 9678 PWs) bands (ev): -16.8487 -16.8487 -16.7920 -16.7920 -16.7606 -16.7605 -16.7531 -16.7530 -3.6907 -3.6707 -3.6705 -3.6549 -3.5936 -3.5915 -3.4270 -3.4269 -1.9808 -1.9302 -1.8991 -1.8298 -1.8200 -1.7055 -1.6760 -1.6543 -1.6067 -1.5452 -1.4718 -1.4577 -1.4494 -1.4373 -1.3598 -1.3547 1.7223 1.7224 2.5288 2.5311 2.8524 2.8543 2.9756 2.9789 5.3968 5.5299 5.5708 5.6724 5.7711 5.8248 5.9116 5.9438 5.9698 6.1518 6.2890 6.5162 6.5309 6.5758 6.6205 6.6555 6.7482 6.7838 6.8065 6.9113 6.9429 6.9671 7.0140 7.1639 7.4124 7.4815 7.4996 7.6574 7.6724 7.6901 7.7231 7.7737 7.7757 7.8678 7.8985 8.0080 8.0122 8.0933 8.1191 8.1655 8.2865 8.3080 8.5846 8.7864 9.2230 9.2444 9.4278 9.5362 9.6478 9.7027 9.8433 9.8478 9.9035 10.0784 10.1005 10.2353 10.4101 10.5025 11.4816 11.5852 11.6174 11.6837 11.8473 11.9850 12.0697 12.1084 12.1557 12.1773 12.5660 12.6369 13.2884 13.2922 13.5768 13.6361 13.7577 13.7971 k = 0.0000 0.2917-0.0000 ( 9678 PWs) bands (ev): -16.8467 -16.8467 -16.7947 -16.7946 -16.7601 -16.7599 -16.7529 -16.7528 -3.6919 -3.6726 -3.6710 -3.6559 -3.5875 -3.5853 -3.4340 -3.4339 -1.9826 -1.9331 -1.8997 -1.8225 -1.8204 -1.7056 -1.6646 -1.6487 -1.6153 -1.5468 -1.4770 -1.4537 -1.4530 -1.4468 -1.3618 -1.3563 1.7627 1.7629 2.5016 2.5042 2.8574 2.8593 2.9771 2.9807 5.3942 5.5345 5.5650 5.6751 5.7640 5.8195 5.9122 5.9416 5.9740 6.1705 6.2598 6.5031 6.5328 6.5670 6.6123 6.6541 6.7437 6.7738 6.8142 6.9145 6.9457 6.9727 7.0151 7.1707 7.4177 7.4862 7.5090 7.6700 7.6702 7.6915 7.7187 7.7665 7.7723 7.8654 7.9103 8.0101 8.0160 8.1017 8.1058 8.1670 8.2845 8.2966 8.5784 8.7793 9.2377 9.2709 9.4148 9.5440 9.6130 9.6690 9.8365 9.8583 9.9011 10.0819 10.0893 10.2742 10.3916 10.5551 11.4871 11.5738 11.6190 11.6786 11.8479 11.9665 12.0680 12.0869 12.1315 12.1538 12.6160 12.6865 13.3229 13.3230 13.5759 13.6416 13.7640 13.8088 k = 0.0000 0.3125-0.0000 ( 9698 PWs) bands (ev): -16.8447 -16.8447 -16.7973 -16.7973 -16.7596 -16.7594 -16.7528 -16.7526 -3.6928 -3.6747 -3.6711 -3.6569 -3.5811 -3.5788 -3.4413 -3.4412 -1.9838 -1.9362 -1.8996 -1.8243 -1.8125 -1.7047 -1.6532 -1.6421 -1.6245 -1.5513 -1.4826 -1.4601 -1.4550 -1.4444 -1.3643 -1.3581 1.8041 1.8044 2.4737 2.4765 2.8630 2.8646 2.9772 2.9811 5.3934 5.5408 5.5576 5.6773 5.7551 5.8152 5.9130 5.9397 5.9786 6.1885 6.2312 6.4887 6.5363 6.5589 6.6050 6.6534 6.7383 6.7643 6.8220 6.9165 6.9487 6.9799 7.0156 7.1748 7.4235 7.4936 7.5190 7.6658 7.6824 7.6951 7.7133 7.7550 7.7708 7.8627 7.9215 8.0120 8.0183 8.0943 8.1085 8.1678 8.2850 8.2917 8.5702 8.7686 9.2477 9.2894 9.4106 9.5516 9.5835 9.6365 9.8267 9.8686 9.8990 10.0758 10.0794 10.2914 10.4038 10.6160 11.4937 11.5649 11.6238 11.6734 11.8443 11.9426 12.0630 12.0645 12.1086 12.1305 12.6692 12.7384 13.3515 13.3536 13.5784 13.6489 13.7739 13.8199 k = 0.0000 0.3333-0.0000 ( 9690 PWs) bands (ev): -16.8425 -16.8425 -16.8001 -16.8000 -16.7590 -16.7588 -16.7528 -16.7526 -3.6934 -3.6767 -3.6711 -3.6579 -3.5744 -3.5722 -3.4488 -3.4488 -1.9844 -1.9396 -1.8988 -1.8278 -1.8035 -1.7027 -1.6420 -1.6368 -1.6321 -1.5585 -1.4887 -1.4709 -1.4534 -1.4382 -1.3673 -1.3603 1.8462 1.8467 2.4449 2.4478 2.8690 2.8705 2.9759 2.9799 5.3944 5.5488 5.5488 5.6792 5.7451 5.8108 5.9139 5.9382 5.9838 6.2036 6.2058 6.4729 6.5413 6.5523 6.5982 6.6533 6.7320 6.7554 6.8300 6.9174 6.9521 6.9885 7.0154 7.1760 7.4299 7.5034 7.5296 7.6603 7.6936 7.7005 7.7073 7.7422 7.7693 7.8591 7.9320 8.0139 8.0188 8.0845 8.1138 8.1677 8.2879 8.2943 8.5596 8.7538 9.2546 9.2994 9.4148 9.5283 9.5900 9.6078 9.8140 9.8793 9.8975 10.0600 10.0753 10.2675 10.4607 10.6835 11.4940 11.5644 11.6310 11.6683 11.8373 11.9143 12.0417 12.0544 12.0880 12.1079 12.7245 12.7914 13.3752 13.3771 13.5846 13.6583 13.7877 13.8284 k = 0.0000 0.3542-0.0000 ( 9702 PWs) bands (ev): -16.8402 -16.8402 -16.8028 -16.8028 -16.7585 -16.7583 -16.7528 -16.7526 -3.6939 -3.6788 -3.6709 -3.6590 -3.5675 -3.5654 -3.4565 -3.4565 -1.9844 -1.9432 -1.8973 -1.8322 -1.7942 -1.6996 -1.6453 -1.6312 -1.6256 -1.5673 -1.4954 -1.4819 -1.4498 -1.4318 -1.3707 -1.3629 1.8887 1.8893 2.4152 2.4181 2.8757 2.8768 2.9733 2.9774 5.3971 5.5387 5.5585 5.6808 5.7347 5.8055 5.9149 5.9370 5.9895 6.1773 6.2226 6.4560 6.5473 6.5478 6.5917 6.6536 6.7250 6.7472 6.8381 6.9172 6.9559 6.9986 7.0145 7.1743 7.4370 7.5147 7.5405 7.6538 7.6970 7.7070 7.7072 7.7294 7.7680 7.8540 7.9413 8.0157 8.0174 8.0763 8.1180 8.1667 8.2931 8.3042 8.5463 8.7349 9.2602 9.3037 9.4230 9.4931 9.5857 9.6134 9.7986 9.8906 9.8969 10.0427 10.0711 10.2281 10.5347 10.7562 11.4806 11.5768 11.6361 11.6653 11.8282 11.8835 12.0193 12.0428 12.0700 12.0860 12.7808 12.8447 13.3907 13.3908 13.5945 13.6701 13.8052 13.8290 k = 0.0000 0.3750-0.0000 ( 9698 PWs) bands (ev): -16.8379 -16.8379 -16.8056 -16.8056 -16.7579 -16.7577 -16.7529 -16.7528 -3.6940 -3.6808 -3.6706 -3.6601 -3.5604 -3.5584 -3.4645 -3.4644 -1.9839 -1.9470 -1.8952 -1.8371 -1.7845 -1.6954 -1.6557 -1.6212 -1.6168 -1.5768 -1.5025 -1.4929 -1.4448 -1.4254 -1.3745 -1.3658 1.9313 1.9321 2.3844 2.3874 2.8828 2.8836 2.9695 2.9736 5.4014 5.5277 5.5697 5.6823 5.7246 5.7988 5.9160 5.9360 5.9957 6.1528 6.2389 6.4384 6.5440 6.5555 6.5853 6.6538 6.7174 6.7397 6.8463 6.9159 6.9601 7.0101 7.0130 7.1697 7.4451 7.5260 7.5517 7.6470 7.6892 7.7128 7.7162 7.7194 7.7668 7.8476 7.9493 8.0143 8.0177 8.0693 8.1216 8.1648 8.3008 8.3208 8.5301 8.7117 9.2656 9.3062 9.4286 9.4588 9.5731 9.6413 9.7809 9.8974 9.9023 10.0245 10.0668 10.1837 10.6147 10.8326 11.4545 11.5987 11.6282 11.6718 11.8188 11.8533 11.9978 12.0297 12.0538 12.0644 12.8374 12.8976 13.3926 13.3945 13.6075 13.6843 13.8152 13.8256 k = 0.0000 0.3958-0.0000 ( 9722 PWs) bands (ev): -16.8354 -16.8354 -16.8084 -16.8084 -16.7574 -16.7572 -16.7531 -16.7529 -3.6940 -3.6827 -3.6702 -3.6612 -3.5530 -3.5512 -3.4726 -3.4724 -1.9827 -1.9510 -1.8924 -1.8425 -1.7746 -1.6901 -1.6665 -1.6136 -1.6075 -1.5847 -1.5101 -1.5038 -1.4389 -1.4191 -1.3788 -1.3690 1.9737 1.9747 2.3526 2.3556 2.8903 2.8907 2.9647 2.9687 5.4072 5.5160 5.5820 5.6831 5.7158 5.7904 5.9173 5.9351 6.0026 6.1302 6.2548 6.4204 6.5423 6.5645 6.5791 6.6535 6.7102 6.7328 6.8543 6.9137 6.9647 7.0108 7.0228 7.1624 7.4542 7.5356 7.5632 7.6408 7.6797 7.7042 7.7253 7.7259 7.7657 7.8398 7.9561 8.0098 8.0199 8.0630 8.1251 8.1624 8.3109 8.3431 8.5112 8.6844 9.2714 9.3097 9.4272 9.4275 9.5716 9.6719 9.7615 9.8992 9.9135 10.0062 10.0620 10.1379 10.6974 10.9115 11.4178 11.6043 11.6254 11.6863 11.8109 11.8279 11.9780 12.0164 12.0386 12.0431 12.8940 12.9497 13.3814 13.3840 13.6233 13.7008 13.7915 13.8466 k = 0.0000 0.4167-0.0000 ( 9714 PWs) bands (ev): -16.8329 -16.8329 -16.8112 -16.8112 -16.7568 -16.7566 -16.7534 -16.7532 -3.6937 -3.6845 -3.6696 -3.6624 -3.5455 -3.5438 -3.4808 -3.4804 -1.9811 -1.9550 -1.8891 -1.8481 -1.7644 -1.6838 -1.6775 -1.6128 -1.5979 -1.5864 -1.5180 -1.5147 -1.4325 -1.4129 -1.3835 -1.3726 2.0158 2.0169 2.3197 2.3226 2.8982 2.8983 2.9590 2.9627 5.4144 5.5037 5.5951 5.6818 5.7103 5.7804 5.9188 5.9340 6.0101 6.1098 6.2704 6.4024 6.5421 6.5731 6.5745 6.6516 6.7042 6.7263 6.8622 6.9105 6.9697 7.0079 7.0367 7.1529 7.4645 7.5412 7.5750 7.6371 7.6694 7.6938 7.7335 7.7362 7.7646 7.8308 7.9619 8.0044 8.0223 8.0571 8.1288 8.1596 8.3236 8.3702 8.4902 8.6536 9.2782 9.3154 9.3990 9.4193 9.5800 9.7050 9.7407 9.9023 9.9228 9.9885 10.0562 10.0937 10.7814 10.9921 11.3713 11.5658 11.6544 11.7038 11.8048 11.8097 11.9607 12.0040 12.0217 12.0241 12.9502 13.0007 13.3583 13.3589 13.6406 13.7193 13.7686 13.8612 k = 0.0000 0.4375-0.0000 ( 9726 PWs) bands (ev): -16.8304 -16.8303 -16.8140 -16.8140 -16.7563 -16.7561 -16.7536 -16.7534 -3.6932 -3.6862 -3.6690 -3.6634 -3.5377 -3.5363 -3.4890 -3.4886 -1.9790 -1.9590 -1.8851 -1.8538 -1.7540 -1.6885 -1.6765 -1.6198 -1.5880 -1.5803 -1.5263 -1.5255 -1.4259 -1.4069 -1.3887 -1.3765 2.0572 2.0586 2.2857 2.2884 2.9060 2.9065 2.9525 2.9559 5.4229 5.4912 5.6087 5.6766 5.7102 5.7690 5.9206 5.9327 6.0183 6.0916 6.2860 6.3846 6.5431 6.5673 6.5853 6.6473 6.7007 6.7202 6.8699 6.9066 6.9749 7.0044 7.0514 7.1413 7.4759 7.5411 7.5868 7.6373 7.6584 7.6841 7.7407 7.7476 7.7632 7.8207 7.9671 7.9985 8.0252 8.0515 8.1328 8.1564 8.3387 8.4011 8.4675 8.6197 9.2862 9.3237 9.3743 9.4066 9.5947 9.7192 9.7403 9.9071 9.9263 9.9719 10.0482 10.0566 10.8654 11.0732 11.3159 11.5144 11.6838 11.7221 11.7981 11.7995 11.9473 11.9934 12.0007 12.0106 13.0060 13.0508 13.3215 13.3256 13.6586 13.7396 13.7505 13.8589 k = 0.0000 0.4583-0.0000 ( 9710 PWs) bands (ev): -16.8277 -16.8277 -16.8168 -16.8168 -16.7558 -16.7556 -16.7540 -16.7538 -3.6925 -3.6878 -3.6682 -3.6645 -3.5299 -3.5286 -3.4973 -3.4967 -1.9764 -1.9629 -1.8807 -1.8596 -1.7434 -1.6996 -1.6684 -1.6296 -1.5779 -1.5716 -1.5362 -1.5349 -1.4192 -1.4011 -1.3942 -1.3808 2.0979 2.0995 2.2504 2.2530 2.9139 2.9150 2.9454 2.9484 5.4325 5.4787 5.6221 5.6683 5.7148 5.7568 5.9226 5.9310 6.0273 6.0754 6.3016 6.3672 6.5452 6.5618 6.5967 6.6401 6.7000 6.7146 6.8772 6.9019 6.9803 7.0003 7.0669 7.1280 7.4881 7.5353 7.5989 7.6417 7.6469 7.6748 7.7468 7.7598 7.7614 7.8096 7.9718 7.9925 8.0284 8.0462 8.1368 8.1528 8.3563 8.4350 8.4440 8.5837 9.2956 9.3343 9.3531 9.3919 9.6128 9.6973 9.7776 9.9134 9.9170 9.9568 10.0296 10.0427 10.9486 11.1539 11.2527 11.4530 11.7125 11.7401 11.7896 11.7922 11.9399 11.9807 11.9859 11.9987 13.0615 13.1000 13.2756 13.2861 13.6763 13.7358 13.7610 13.8444 k = 0.0000 0.4792-0.0000 ( 9706 PWs) bands (ev): -16.8250 -16.8250 -16.8196 -16.8195 -16.7553 -16.7551 -16.7544 -16.7542 -3.6916 -3.6892 -3.6674 -3.6655 -3.5219 -3.5207 -3.5055 -3.5048 -1.9735 -1.9667 -1.8759 -1.8653 -1.7326 -1.7107 -1.6595 -1.6399 -1.5677 -1.5623 -1.5468 -1.5439 -1.4126 -1.4001 -1.3956 -1.3854 2.1377 2.1395 2.2140 2.2163 2.9220 2.9235 2.9379 2.9404 5.4430 5.4663 5.6350 5.6583 5.7227 5.7445 5.9248 5.9291 6.0373 6.0611 6.3174 6.3502 6.5483 6.5567 6.6084 6.6307 6.7016 6.7094 6.8842 6.8966 6.9856 6.9958 7.0826 7.1136 7.5009 7.5255 7.6110 7.6351 7.6487 7.6658 7.7519 7.7591 7.7725 7.7977 7.9766 7.9869 8.0322 8.0411 8.1410 8.1491 8.3760 8.4204 8.4710 8.5463 9.3067 9.3350 9.3471 9.3765 9.6328 9.6754 9.8163 9.8911 9.9215 9.9432 10.0226 10.0340 11.0299 11.1832 11.2335 11.3844 11.7391 11.7564 11.7801 11.7810 11.9404 11.9627 11.9825 11.9894 13.1167 13.1485 13.2248 13.2423 13.6930 13.7223 13.7830 13.8256 k = 0.0000 0.5000-0.0000 ( 9658 PWs) bands (ev): -16.8223 -16.8223 -16.8223 -16.8223 -16.7548 -16.7548 -16.7546 -16.7546 -3.6905 -3.6905 -3.6665 -3.6665 -3.5137 -3.5137 -3.5128 -3.5128 -1.9702 -1.9702 -1.8707 -1.8707 -1.7217 -1.7217 -1.6499 -1.6499 -1.5573 -1.5573 -1.5530 -1.5530 -1.4062 -1.4062 -1.3904 -1.3904 2.1764 2.1764 2.1785 2.1785 2.9300 2.9300 2.9321 2.9321 5.4544 5.4544 5.6471 5.6471 5.7329 5.7329 5.9270 5.9270 6.0485 6.0485 6.3336 6.3336 6.5522 6.5522 6.6199 6.6199 6.7050 6.7050 6.8906 6.8906 6.9908 6.9908 7.0983 7.0983 7.5136 7.5136 7.6231 7.6231 7.6570 7.6570 7.7559 7.7559 7.7853 7.7853 7.9815 7.9815 8.0364 8.0364 8.1451 8.1451 8.3976 8.3976 8.5084 8.5084 9.3197 9.3197 9.3613 9.3613 9.6538 9.6538 9.8552 9.8552 9.9315 9.9315 10.0263 10.0263 11.1085 11.1085 11.3107 11.3107 11.7621 11.7621 11.7702 11.7702 11.9486 11.9486 11.9838 11.9838 13.1713 13.1713 13.1961 13.1961 13.7083 13.7083 13.8048 13.8048 k = 0.0000 0.5000-0.0000 ( 9658 PWs) bands (ev): -16.8223 -16.8223 -16.8223 -16.8223 -16.7548 -16.7548 -16.7546 -16.7546 -3.6905 -3.6905 -3.6665 -3.6665 -3.5137 -3.5137 -3.5128 -3.5128 -1.9702 -1.9702 -1.8707 -1.8707 -1.7217 -1.7217 -1.6499 -1.6499 -1.5573 -1.5573 -1.5530 -1.5530 -1.4062 -1.4062 -1.3904 -1.3904 2.1764 2.1764 2.1785 2.1785 2.9300 2.9300 2.9321 2.9321 5.4544 5.4544 5.6471 5.6471 5.7329 5.7329 5.9270 5.9270 6.0485 6.0485 6.3336 6.3336 6.5522 6.5522 6.6199 6.6199 6.7050 6.7050 6.8906 6.8906 6.9908 6.9908 7.0983 7.0983 7.5136 7.5136 7.6231 7.6231 7.6570 7.6570 7.7559 7.7559 7.7853 7.7853 7.9815 7.9815 8.0364 8.0364 8.1451 8.1451 8.3976 8.3976 8.5084 8.5084 9.3197 9.3197 9.3613 9.3613 9.6538 9.6538 9.8552 9.8552 9.9315 9.9315 10.0263 10.0263 11.1085 11.1085 11.3107 11.3107 11.7621 11.7621 11.7702 11.7702 11.9486 11.9486 11.9838 11.9838 13.1713 13.1713 13.1961 13.1961 13.7083 13.7083 13.8048 13.8048 k = 0.0208 0.5000-0.0000 ( 9708 PWs) bands (ev): -16.8223 -16.8223 -16.8223 -16.8223 -16.7548 -16.7548 -16.7546 -16.7546 -3.6904 -3.6904 -3.6664 -3.6664 -3.5143 -3.5143 -3.5127 -3.5127 -1.9701 -1.9701 -1.8706 -1.8706 -1.7219 -1.7219 -1.6500 -1.6500 -1.5653 -1.5653 -1.5450 -1.5450 -1.4098 -1.4098 -1.3867 -1.3867 2.1772 2.1772 2.1796 2.1796 2.9294 2.9294 2.9316 2.9316 5.4553 5.4553 5.6480 5.6480 5.7328 5.7328 5.9276 5.9276 6.0483 6.0483 6.3336 6.3336 6.5502 6.5502 6.6211 6.6211 6.7048 6.7048 6.8904 6.8904 6.9909 6.9909 7.0980 7.0980 7.5133 7.5133 7.6177 7.6177 7.6605 7.6605 7.7541 7.7541 7.7869 7.7869 7.9812 7.9812 8.0363 8.0363 8.1450 8.1450 8.3981 8.3981 8.5097 8.5097 9.3177 9.3177 9.3629 9.3629 9.6502 9.6502 9.8482 9.8482 9.9350 9.9350 10.0276 10.0276 11.1107 11.1107 11.3131 11.3131 11.7624 11.7624 11.7741 11.7741 11.9493 11.9493 11.9874 11.9874 13.1685 13.1685 13.1935 13.1935 13.7089 13.7089 13.8060 13.8060 k = 0.0417 0.5000-0.0000 ( 9714 PWs) bands (ev): -16.8222 -16.8222 -16.8221 -16.8221 -16.7550 -16.7550 -16.7548 -16.7548 -3.6901 -3.6901 -3.6661 -3.6661 -3.5154 -3.5154 -3.5127 -3.5127 -1.9698 -1.9698 -1.8703 -1.8703 -1.7227 -1.7227 -1.6504 -1.6504 -1.5749 -1.5749 -1.5357 -1.5357 -1.4164 -1.4164 -1.3796 -1.3796 2.1796 2.1796 2.1828 2.1828 2.9275 2.9275 2.9303 2.9303 5.4582 5.4582 5.6507 5.6507 5.7326 5.7326 5.9293 5.9293 6.0476 6.0476 6.3337 6.3337 6.5446 6.5446 6.6243 6.6243 6.7044 6.7044 6.8896 6.8896 6.9911 6.9911 7.0971 7.0971 7.5122 7.5122 7.6053 7.6053 7.6670 7.6670 7.7499 7.7499 7.7907 7.7907 7.9802 7.9802 8.0359 8.0359 8.1446 8.1446 8.3998 8.3998 8.5135 8.5135 9.3124 9.3124 9.3666 9.3666 9.6398 9.6398 9.8307 9.8307 9.9426 9.9426 10.0312 10.0312 11.1173 11.1173 11.3202 11.3202 11.7643 11.7643 11.7847 11.7847 11.9518 11.9518 11.9981 11.9981 13.1605 13.1605 13.1859 13.1859 13.7107 13.7107 13.8093 13.8093 k = 0.0625 0.5000-0.0000 ( 9728 PWs) bands (ev): -16.8220 -16.8220 -16.8220 -16.8220 -16.7551 -16.7551 -16.7549 -16.7549 -3.6897 -3.6897 -3.6657 -3.6657 -3.5170 -3.5170 -3.5130 -3.5130 -1.9693 -1.9693 -1.8696 -1.8696 -1.7239 -1.7239 -1.6510 -1.6510 -1.5840 -1.5840 -1.5271 -1.5271 -1.4230 -1.4230 -1.3719 -1.3719 2.1838 2.1838 2.1879 2.1879 2.9244 2.9244 2.9280 2.9280 5.4629 5.4629 5.6551 5.6551 5.7323 5.7323 5.9322 5.9322 6.0465 6.0465 6.3337 6.3337 6.5365 6.5365 6.6284 6.6284 6.7038 6.7038 6.8884 6.8884 6.9914 6.9914 7.0957 7.0957 7.5106 7.5106 7.5896 7.5896 7.6730 7.6730 7.7452 7.7452 7.7951 7.7951 7.9784 7.9784 8.0353 8.0353 8.1438 8.1438 8.4027 8.4027 8.5194 8.5194 9.3053 9.3053 9.3707 9.3707 9.6240 9.6240 9.8073 9.8073 9.9497 9.9497 10.0362 10.0362 11.1284 11.1284 11.3318 11.3318 11.7682 11.7682 11.8009 11.8009 11.9565 11.9565 12.0154 12.0154 13.1478 13.1478 13.1740 13.1740 13.7137 13.7137 13.8144 13.8144 k = 0.0833 0.5000-0.0000 ( 9736 PWs) bands (ev): -16.8217 -16.8217 -16.8217 -16.8217 -16.7554 -16.7554 -16.7552 -16.7552 -3.6890 -3.6890 -3.6650 -3.6650 -3.5189 -3.5189 -3.5137 -3.5137 -1.9686 -1.9686 -1.8688 -1.8688 -1.7258 -1.7258 -1.6520 -1.6520 -1.5924 -1.5924 -1.5201 -1.5201 -1.4285 -1.4285 -1.3643 -1.3643 2.1898 2.1898 2.1949 2.1949 2.9203 2.9203 2.9247 2.9247 5.4692 5.4692 5.6611 5.6611 5.7319 5.7319 5.9363 5.9363 6.0451 6.0451 6.3338 6.3338 6.5270 6.5270 6.6324 6.6324 6.7032 6.7032 6.8871 6.8871 6.9917 6.9917 7.0937 7.0937 7.5082 7.5082 7.5720 7.5720 7.6768 7.6768 7.7414 7.7414 7.7992 7.7992 7.9760 7.9760 8.0345 8.0345 8.1426 8.1426 8.4067 8.4067 8.5270 8.5270 9.2973 9.2973 9.3738 9.3738 9.6049 9.6049 9.7807 9.7807 9.9544 9.9544 10.0413 10.0413 11.1442 11.1442 11.3475 11.3475 11.7737 11.7737 11.8218 11.8218 11.9640 11.9640 12.0391 12.0391 13.1315 13.1315 13.1586 13.1586 13.7177 13.7177 13.8205 13.8206 k = 0.1042 0.5000-0.0000 ( 9734 PWs) bands (ev): -16.8214 -16.8214 -16.8214 -16.8214 -16.7557 -16.7557 -16.7555 -16.7555 -3.6882 -3.6882 -3.6642 -3.6642 -3.5212 -3.5212 -3.5148 -3.5148 -1.9676 -1.9676 -1.8676 -1.8676 -1.7285 -1.7285 -1.6534 -1.6534 -1.5999 -1.5999 -1.5154 -1.5154 -1.4319 -1.4319 -1.3569 -1.3569 2.1975 2.1975 2.2036 2.2036 2.9152 2.9152 2.9204 2.9204 5.4771 5.4771 5.6685 5.6685 5.7313 5.7313 5.9416 5.9416 6.0434 6.0434 6.3338 6.3338 6.5166 6.5166 6.6354 6.6354 6.7027 6.7027 6.8857 6.8857 6.9917 6.9917 7.0912 7.0912 7.5052 7.5052 7.5536 7.5536 7.6781 7.6781 7.7392 7.7392 7.8026 7.8026 7.9729 7.9729 8.0335 8.0335 8.1407 8.1407 8.4118 8.4118 8.5358 8.5358 9.2890 9.2890 9.3744 9.3744 9.5848 9.5848 9.7525 9.7525 9.9558 9.9558 10.0457 10.0457 11.1645 11.1645 11.3668 11.3668 11.7807 11.7807 11.8463 11.8463 11.9751 11.9751 12.0686 12.0686 13.1126 13.1126 13.1408 13.1408 13.7223 13.7223 13.8271 13.8271 k = 0.1250 0.5000-0.0000 ( 9734 PWs) bands (ev): -16.8210 -16.8210 -16.8209 -16.8209 -16.7561 -16.7561 -16.7559 -16.7559 -3.6871 -3.6871 -3.6632 -3.6632 -3.5239 -3.5239 -3.5163 -3.5163 -1.9664 -1.9664 -1.8662 -1.8662 -1.7321 -1.7321 -1.6551 -1.6551 -1.6061 -1.6061 -1.5137 -1.5137 -1.4323 -1.4323 -1.3498 -1.3498 2.2069 2.2069 2.2140 2.2140 2.9091 2.9091 2.9151 2.9151 5.4864 5.4864 5.6769 5.6769 5.7305 5.7305 5.9480 5.9480 6.0416 6.0416 6.3337 6.3337 6.5059 6.5059 6.6368 6.6368 6.7024 6.7024 6.8845 6.8845 6.9915 6.9915 7.0883 7.0883 7.5009 7.5009 7.5353 7.5353 7.6767 7.6767 7.7388 7.7388 7.8051 7.8051 7.9694 7.9694 8.0323 8.0323 8.1380 8.1380 8.4178 8.4178 8.5452 8.5452 9.2805 9.2805 9.3711 9.3711 9.5661 9.5661 9.7241 9.7241 9.9539 9.9539 10.0484 10.0484 11.1890 11.1890 11.3891 11.3891 11.7892 11.7892 11.8728 11.8728 11.9910 11.9910 12.1030 12.1030 13.0922 13.0922 13.1217 13.1217 13.7271 13.7271 13.8331 13.8331 k = 0.1458 0.5000-0.0000 ( 9728 PWs) bands (ev): -16.8205 -16.8205 -16.8205 -16.8205 -16.7566 -16.7566 -16.7564 -16.7564 -3.6859 -3.6859 -3.6621 -3.6621 -3.5268 -3.5268 -3.5181 -3.5181 -1.9649 -1.9649 -1.8645 -1.8645 -1.7366 -1.7366 -1.6572 -1.6572 -1.6112 -1.6112 -1.5152 -1.5152 -1.4297 -1.4297 -1.3431 -1.3431 2.2179 2.2179 2.2258 2.2258 2.9020 2.9020 2.9089 2.9089 5.4968 5.4968 5.6862 5.6862 5.7296 5.7296 5.9554 5.9554 6.0399 6.0399 6.3335 6.3335 6.4953 6.4953 6.6364 6.6364 6.7025 6.7025 6.8837 6.8837 6.9909 6.9909 7.0852 7.0852 7.4938 7.4938 7.5195 7.5195 7.6735 7.6735 7.7395 7.7395 7.8069 7.8069 7.9656 7.9656 8.0308 8.0308 8.1343 8.1343 8.4246 8.4246 8.5546 8.5546 9.2718 9.2718 9.3626 9.3626 9.5511 9.5511 9.6965 9.6965 9.9490 9.9490 10.0489 10.0489 11.2171 11.2171 11.4137 11.4137 11.7995 11.7995 11.8992 11.8992 12.0130 12.0130 12.1416 12.1416 13.0713 13.0713 13.1025 13.1025 13.7313 13.7313 13.8370 13.8370 k = 0.1667 0.5000-0.0000 ( 9718 PWs) bands (ev): -16.8200 -16.8200 -16.8200 -16.8200 -16.7571 -16.7571 -16.7569 -16.7569 -3.6845 -3.6845 -3.6607 -3.6607 -3.5300 -3.5300 -3.5202 -3.5202 -1.9632 -1.9632 -1.8625 -1.8625 -1.7421 -1.7421 -1.6595 -1.6595 -1.6151 -1.6151 -1.5193 -1.5193 -1.4245 -1.4245 -1.3369 -1.3369 2.2305 2.2305 2.2391 2.2391 2.8942 2.8942 2.9018 2.9018 5.5080 5.5080 5.6957 5.6957 5.7288 5.7288 5.9637 5.9637 6.0383 6.0383 6.3331 6.3331 6.4851 6.4851 6.6340 6.6340 6.7030 6.7030 6.8836 6.8836 6.9898 6.9898 7.0821 7.0821 7.4809 7.4809 7.5091 7.5091 7.6691 7.6691 7.7406 7.7406 7.8081 7.8081 7.9620 7.9620 8.0288 8.0288 8.1296 8.1296 8.4318 8.4318 8.5636 8.5636 9.2628 9.2628 9.3484 9.3484 9.5411 9.5411 9.6710 9.6710 9.9412 9.9412 10.0470 10.0470 11.2478 11.2478 11.4396 11.4396 11.8121 11.8121 11.9246 11.9246 12.0418 12.0418 12.1832 12.1832 13.0509 13.0509 13.0842 13.0842 13.7334 13.7334 13.8366 13.8366 k = 0.1875 0.5000-0.0000 ( 9718 PWs) bands (ev): -16.8194 -16.8194 -16.8194 -16.8194 -16.7576 -16.7576 -16.7574 -16.7574 -3.6829 -3.6829 -3.6593 -3.6593 -3.5334 -3.5334 -3.5227 -3.5227 -1.9612 -1.9612 -1.8601 -1.8601 -1.7485 -1.7485 -1.6622 -1.6622 -1.6180 -1.6180 -1.5252 -1.5252 -1.4175 -1.4175 -1.3312 -1.3312 2.2443 2.2443 2.2537 2.2537 2.8855 2.8855 2.8939 2.8939 5.5198 5.5198 5.7043 5.7043 5.7289 5.7289 5.9726 5.9726 6.0373 6.0373 6.3325 6.3325 6.4757 6.4757 6.6296 6.6296 6.7038 6.7038 6.8842 6.8842 6.9881 6.9881 7.0793 7.0793 7.4637 7.4637 7.5033 7.5033 7.6644 7.6644 7.7412 7.7412 7.8090 7.8090 7.9585 7.9585 8.0264 8.0264 8.1237 8.1237 8.4392 8.4392 8.5716 8.5716 9.2530 9.2530 9.3291 9.3291 9.5359 9.5359 9.6489 9.6489 9.9312 9.9312 10.0426 10.0426 11.2802 11.2802 11.4658 11.4658 11.8278 11.8278 11.9494 11.9494 12.0768 12.0768 12.2266 12.2266 13.0319 13.0319 13.0675 13.0675 13.7317 13.7317 13.8291 13.8291 k = 0.2083 0.5000-0.0000 ( 9722 PWs) bands (ev): -16.8188 -16.8188 -16.8188 -16.8188 -16.7582 -16.7582 -16.7581 -16.7581 -3.6811 -3.6811 -3.6577 -3.6577 -3.5370 -3.5370 -3.5254 -3.5254 -1.9589 -1.9589 -1.8575 -1.8575 -1.7558 -1.7558 -1.6651 -1.6651 -1.6201 -1.6201 -1.5321 -1.5321 -1.4095 -1.4095 -1.3260 -1.3260 2.2595 2.2595 2.2694 2.2694 2.8761 2.8761 2.8851 2.8851 5.5319 5.5319 5.7098 5.7098 5.7321 5.7321 5.9815 5.9815 6.0374 6.0374 6.3317 6.3317 6.4671 6.4671 6.6233 6.6233 6.7049 6.7049 6.8856 6.8856 6.9859 6.9859 7.0769 7.0769 7.4453 7.4453 7.4991 7.4991 7.6597 7.6597 7.7410 7.7410 7.8100 7.8100 7.9553 7.9553 8.0237 8.0237 8.1167 8.1167 8.4465 8.4465 8.5783 8.5783 9.2420 9.2420 9.3066 9.3066 9.5343 9.5343 9.6316 9.6316 9.9194 9.9194 10.0358 10.0358 11.3129 11.3129 11.4909 11.4909 11.8473 11.8473 11.9753 11.9753 12.1163 12.1163 12.2704 12.2704 13.0147 13.0147 13.0533 13.0533 13.7244 13.7244 13.8120 13.8120 k = 0.2292 0.5000-0.0000 ( 9718 PWs) bands (ev): -16.8181 -16.8181 -16.8181 -16.8181 -16.7589 -16.7589 -16.7587 -16.7587 -3.6791 -3.6791 -3.6559 -3.6559 -3.5407 -3.5407 -3.5284 -3.5284 -1.9563 -1.9563 -1.8545 -1.8545 -1.7638 -1.7638 -1.6683 -1.6683 -1.6215 -1.6215 -1.5393 -1.5393 -1.4009 -1.4009 -1.3213 -1.3213 2.2756 2.2756 2.2860 2.2860 2.8660 2.8660 2.8757 2.8757 5.5440 5.5440 5.7104 5.7104 5.7396 5.7396 5.9893 5.9893 6.0393 6.0393 6.3306 6.3306 6.4596 6.4596 6.6154 6.6154 6.7064 6.7064 6.8875 6.8875 6.9835 6.9835 7.0754 7.0754 7.4270 7.4270 7.4952 7.4952 7.6552 7.6552 7.7395 7.7395 7.8114 7.8114 7.9525 7.9525 8.0206 8.0206 8.1086 8.1086 8.4536 8.4536 8.5835 8.5835 9.2290 9.2290 9.2825 9.2825 9.5348 9.5348 9.6203 9.6203 9.9061 9.9061 10.0267 10.0267 11.3446 11.3446 11.5136 11.5136 11.8716 11.8716 12.0039 12.0039 12.1583 12.1583 12.3134 12.3134 12.9999 12.9999 13.0421 13.0421 13.7099 13.7099 13.7852 13.7852 k = 0.2500 0.5000-0.0000 ( 9704 PWs) bands (ev): -16.8175 -16.8175 -16.8174 -16.8174 -16.7595 -16.7595 -16.7594 -16.7594 -3.6770 -3.6770 -3.6541 -3.6541 -3.5446 -3.5446 -3.5316 -3.5316 -1.9534 -1.9534 -1.8513 -1.8513 -1.7721 -1.7721 -1.6720 -1.6720 -1.6222 -1.6222 -1.5465 -1.5465 -1.3921 -1.3921 -1.3172 -1.3172 2.2927 2.2927 2.3034 2.3034 2.8554 2.8554 2.8656 2.8656 5.5558 5.5558 5.7081 5.7081 5.7497 5.7497 5.9948 5.9948 6.0443 6.0443 6.3293 6.3293 6.4532 6.4532 6.6061 6.6061 6.7083 6.7083 6.8896 6.8896 6.9812 6.9812 7.0748 7.0748 7.4093 7.4093 7.4912 7.4912 7.6512 7.6512 7.7366 7.7366 7.8132 7.8132 7.9502 7.9502 8.0173 8.0173 8.0994 8.0994 8.4603 8.4603 8.5868 8.5868 9.2136 9.2136 9.2586 9.2586 9.5369 9.5369 9.6154 9.6154 9.8919 9.8919 10.0155 10.0155 11.3743 11.3743 11.5327 11.5327 11.9013 11.9013 12.0370 12.0370 12.2013 12.2013 12.3544 12.3544 12.9876 12.9876 13.0340 13.0340 13.6883 13.6883 13.7510 13.7510 k = 0.2708 0.5000-0.0000 ( 9712 PWs) bands (ev): -16.8168 -16.8168 -16.8167 -16.8167 -16.7602 -16.7602 -16.7600 -16.7600 -3.6746 -3.6746 -3.6523 -3.6523 -3.5485 -3.5485 -3.5350 -3.5350 -1.9502 -1.9502 -1.8479 -1.8479 -1.7806 -1.7806 -1.6764 -1.6764 -1.6223 -1.6223 -1.5533 -1.5533 -1.3833 -1.3833 -1.3136 -1.3136 2.3105 2.3105 2.3214 2.3214 2.8443 2.8443 2.8549 2.8549 5.5671 5.5671 5.7043 5.7043 5.7607 5.7607 5.9967 5.9967 6.0532 6.0532 6.3278 6.3278 6.4480 6.4480 6.5955 6.5955 6.7110 6.7110 6.8911 6.8911 6.9798 6.9798 7.0753 7.0753 7.3926 7.3926 7.4865 7.4865 7.6477 7.6477 7.7326 7.7326 7.8158 7.8158 7.9484 7.9484 8.0138 8.0138 8.0892 8.0892 8.4664 8.4664 8.5882 8.5882 9.1959 9.1959 9.2357 9.2357 9.5407 9.5407 9.6161 9.6161 9.8770 9.8770 10.0025 10.0025 11.4011 11.4011 11.5474 11.5474 11.9368 11.9368 12.0751 12.0751 12.2440 12.2440 12.3925 12.3925 12.9776 12.9776 13.0290 13.0290 13.6608 13.6608 13.7126 13.7126 k = 0.2917 0.5000-0.0000 ( 9716 PWs) bands (ev): -16.8161 -16.8161 -16.8160 -16.8160 -16.7609 -16.7609 -16.7607 -16.7607 -3.6721 -3.6721 -3.6504 -3.6504 -3.5524 -3.5524 -3.5385 -3.5385 -1.9466 -1.9466 -1.8446 -1.8446 -1.7889 -1.7889 -1.6816 -1.6816 -1.6220 -1.6220 -1.5596 -1.5596 -1.3747 -1.3747 -1.3106 -1.3106 2.3287 2.3287 2.3397 2.3397 2.8329 2.8329 2.8437 2.8437 5.5777 5.5777 5.6996 5.6996 5.7721 5.7721 5.9954 5.9954 6.0656 6.0656 6.3260 6.3260 6.4438 6.4438 6.5840 6.5840 6.7146 6.7146 6.8913 6.8913 6.9802 6.9802 7.0769 7.0769 7.3772 7.3772 7.4810 7.4810 7.6447 7.6447 7.7275 7.7275 7.8190 7.8190 7.9470 7.9470 8.0100 8.0100 8.0783 8.0783 8.4720 8.4720 8.5879 8.5879 9.1766 9.1766 9.2141 9.2141 9.5470 9.5470 9.6210 9.6210 9.8617 9.8617 9.9880 9.9880 11.4243 11.4243 11.5576 11.5576 11.9780 11.9780 12.1187 12.1187 12.2853 12.2853 12.4269 12.4269 12.9695 12.9695 13.0265 13.0265 13.6298 13.6298 13.6732 13.6732 k = 0.3125 0.5000-0.0000 ( 9728 PWs) bands (ev): -16.8154 -16.8154 -16.8153 -16.8153 -16.7616 -16.7616 -16.7614 -16.7614 -3.6695 -3.6695 -3.6485 -3.6485 -3.5562 -3.5562 -3.5422 -3.5422 -1.9426 -1.9426 -1.8417 -1.8417 -1.7964 -1.7964 -1.6877 -1.6877 -1.6211 -1.6211 -1.5654 -1.5654 -1.3665 -1.3665 -1.3081 -1.3081 2.3472 2.3472 2.3581 2.3581 2.8212 2.8212 2.8321 2.8321 5.5875 5.5875 5.6943 5.6943 5.7837 5.7837 5.9915 5.9915 6.0804 6.0804 6.3239 6.3239 6.4406 6.4406 6.5716 6.5716 6.7194 6.7194 6.8895 6.8895 6.9831 6.9831 7.0795 7.0795 7.3631 7.3631 7.4743 7.4743 7.6421 7.6421 7.7217 7.7217 7.8229 7.8229 7.9460 7.9460 8.0061 8.0061 8.0668 8.0668 8.4772 8.4772 8.5857 8.5857 9.1570 9.1570 9.1934 9.1934 9.5562 9.5562 9.6288 9.6288 9.8465 9.8465 9.9722 9.9722 11.4440 11.4440 11.5635 11.5635 12.0238 12.0238 12.1670 12.1670 12.3243 12.3243 12.4578 12.4578 12.9625 12.9625 13.0254 13.0254 13.5975 13.5975 13.6347 13.6347 k = 0.3333 0.5000-0.0000 ( 9728 PWs) bands (ev): -16.8147 -16.8147 -16.8147 -16.8147 -16.7622 -16.7622 -16.7621 -16.7621 -3.6667 -3.6667 -3.6467 -3.6467 -3.5598 -3.5598 -3.5459 -3.5459 -1.9383 -1.9383 -1.8401 -1.8401 -1.8022 -1.8022 -1.6945 -1.6945 -1.6197 -1.6197 -1.5706 -1.5706 -1.3585 -1.3585 -1.3063 -1.3063 2.3656 2.3656 2.3763 2.3763 2.8095 2.8095 2.8203 2.8203 5.5964 5.5964 5.6886 5.6886 5.7954 5.7954 5.9855 5.9855 6.0970 6.0970 6.3211 6.3211 6.4383 6.4383 6.5586 6.5586 6.7255 6.7255 6.8854 6.8854 6.9888 6.9888 7.0829 7.0829 7.3507 7.3507 7.4661 7.4661 7.6401 7.6401 7.7152 7.7152 7.8278 7.8278 7.9455 7.9455 8.0020 8.0020 8.0551 8.0551 8.4821 8.4821 8.5821 8.5821 9.1383 9.1383 9.1736 9.1736 9.5682 9.5682 9.6386 9.6386 9.8315 9.8315 9.9553 9.9553 11.4604 11.4604 11.5657 11.5657 12.0731 12.0731 12.2194 12.2194 12.3601 12.3601 12.4863 12.4863 12.9558 12.9558 13.0244 13.0244 13.5654 13.5654 13.5985 13.5985 k = 0.3542 0.5000-0.0000 ( 9710 PWs) bands (ev): -16.8141 -16.8141 -16.8140 -16.8140 -16.7628 -16.7628 -16.7627 -16.7627 -3.6638 -3.6638 -3.6450 -3.6450 -3.5632 -3.5632 -3.5497 -3.5497 -1.9336 -1.9336 -1.8411 -1.8411 -1.8049 -1.8049 -1.7021 -1.7021 -1.6180 -1.6180 -1.5753 -1.5753 -1.3510 -1.3510 -1.3050 -1.3050 2.3837 2.3837 2.3939 2.3939 2.7979 2.7979 2.8084 2.8084 5.6043 5.6043 5.6827 5.6827 5.8072 5.8072 5.9778 5.9778 6.1148 6.1148 6.3175 6.3175 6.4371 6.4371 6.5454 6.5454 6.7329 6.7329 6.8793 6.8793 6.9970 6.9970 7.0866 7.0866 7.3402 7.3402 7.4563 7.4563 7.6388 7.6388 7.7082 7.7082 7.8336 7.8336 7.9450 7.9450 7.9977 7.9977 8.0434 8.0434 8.4867 8.4867 8.5770 8.5770 9.1212 9.1212 9.1548 9.1548 9.5825 9.5825 9.6494 9.6494 9.8171 9.8171 9.9375 9.9375 11.4739 11.4739 11.5651 11.5651 12.1241 12.1241 12.2743 12.2743 12.3913 12.3913 12.5143 12.5143 12.9485 12.9485 13.0222 13.0222 13.5342 13.5342 13.5647 13.5647 k = 0.3750 0.5000-0.0000 ( 9694 PWs) bands (ev): -16.8135 -16.8135 -16.8134 -16.8134 -16.7634 -16.7634 -16.7633 -16.7633 -3.6609 -3.6609 -3.6437 -3.6437 -3.5661 -3.5661 -3.5534 -3.5534 -1.9285 -1.9285 -1.8452 -1.8452 -1.8039 -1.8039 -1.7103 -1.7103 -1.6160 -1.6160 -1.5796 -1.5796 -1.3440 -1.3440 -1.3044 -1.3044 2.4010 2.4010 2.4106 2.4106 2.7868 2.7868 2.7967 2.7967 5.6115 5.6115 5.6767 5.6767 5.8193 5.8193 5.9686 5.9686 6.1333 6.1333 6.3126 6.3126 6.4369 6.4369 6.5321 6.5321 6.7417 6.7417 6.8716 6.8716 7.0073 7.0073 7.0903 7.0903 7.3321 7.3321 7.4446 7.4446 7.6382 7.6382 7.7009 7.7009 7.8405 7.8405 7.9442 7.9442 7.9933 7.9933 8.0324 8.0324 8.4913 8.4913 8.5709 8.5709 9.1064 9.1064 9.1372 9.1372 9.5983 9.5983 9.6609 9.6609 9.8036 9.8036 9.9189 9.9189 11.4850 11.4850 11.5624 11.5624 12.1746 12.1746 12.3300 12.3300 12.4164 12.4164 12.5445 12.5445 12.9398 12.9398 13.0178 13.0178 13.5038 13.5038 13.5327 13.5327 k = 0.3958 0.5000-0.0000 ( 9690 PWs) bands (ev): -16.8129 -16.8129 -16.8129 -16.8129 -16.7639 -16.7639 -16.7638 -16.7638 -3.6579 -3.6579 -3.6426 -3.6426 -3.5686 -3.5686 -3.5570 -3.5570 -1.9230 -1.9230 -1.8515 -1.8515 -1.8000 -1.8000 -1.7189 -1.7189 -1.6137 -1.6137 -1.5834 -1.5834 -1.3375 -1.3375 -1.3043 -1.3043 2.4173 2.4173 2.4260 2.4260 2.7764 2.7764 2.7855 2.7855 5.6178 5.6178 5.6707 5.6707 5.8315 5.8315 5.9583 5.9583 6.1524 6.1524 6.3061 6.3061 6.4380 6.4380 6.5191 6.5191 6.7515 6.7515 6.8626 6.8626 7.0191 7.0191 7.0934 7.0934 7.3268 7.3268 7.4313 7.4313 7.6386 7.6386 7.6933 7.6933 7.8485 7.8485 7.9424 7.9424 7.9891 7.9891 8.0223 8.0223 8.4960 8.4960 8.5640 8.5640 9.0940 9.0940 9.1213 9.1213 9.6147 9.6147 9.6726 9.6726 9.7918 9.7918 9.8998 9.8998 11.4944 11.4944 11.5582 11.5582 12.2226 12.2226 12.3827 12.3827 12.4369 12.4369 12.5786 12.5786 12.9296 12.9296 13.0107 13.0107 13.4740 13.4740 13.5016 13.5016 k = 0.4167 0.5000-0.0000 ( 9690 PWs) bands (ev): -16.8125 -16.8125 -16.8125 -16.8125 -16.7644 -16.7644 -16.7643 -16.7643 -3.6550 -3.6550 -3.6420 -3.6420 -3.5705 -3.5705 -3.5604 -3.5604 -1.9171 -1.9171 -1.8589 -1.8589 -1.7944 -1.7944 -1.7278 -1.7278 -1.6111 -1.6111 -1.5870 -1.5870 -1.3315 -1.3315 -1.3049 -1.3049 2.4319 2.4319 2.4395 2.4395 2.7671 2.7671 2.7751 2.7751 5.6236 5.6236 5.6648 5.6648 5.8440 5.8440 5.9470 5.9470 6.1717 6.1717 6.2977 6.2977 6.4404 6.4404 6.5065 6.5065 6.7621 6.7621 6.8528 6.8528 7.0316 7.0316 7.0950 7.0950 7.3249 7.3249 7.4165 7.4165 7.6401 7.6401 7.6856 7.6856 7.8577 7.8577 7.9387 7.9387 7.9859 7.9859 8.0135 8.0135 8.5010 8.5010 8.5565 8.5565 9.0845 9.0845 9.1073 9.1073 9.6310 9.6310 9.6834 9.6834 9.7827 9.7827 9.8804 9.8804 11.5024 11.5024 11.5529 11.5529 12.2663 12.2663 12.4166 12.4166 12.4675 12.4675 12.6150 12.6150 12.9184 12.9184 13.0005 13.0005 13.4450 13.4450 13.4705 13.4705 k = 0.4375 0.5000-0.0000 ( 9682 PWs) bands (ev): -16.8121 -16.8121 -16.8121 -16.8121 -16.7647 -16.7647 -16.7646 -16.7646 -3.6522 -3.6522 -3.6419 -3.6419 -3.5716 -3.5716 -3.5635 -3.5635 -1.9109 -1.9109 -1.8667 -1.8667 -1.7877 -1.7877 -1.7369 -1.7369 -1.6085 -1.6085 -1.5904 -1.5904 -1.3261 -1.3261 -1.3061 -1.3061 2.4445 2.4445 2.4505 2.4505 2.7595 2.7595 2.7659 2.7659 5.6288 5.6288 5.6591 5.6591 5.8568 5.8568 5.9349 5.9349 6.1909 6.1909 6.2873 6.2873 6.4442 6.4442 6.4945 6.4945 6.7734 6.7734 6.8423 6.8423 7.0444 7.0444 7.0946 7.0946 7.3267 7.3267 7.4006 7.4006 7.6427 7.6427 7.6779 7.6779 7.8678 7.8678 7.9324 7.9324 7.9844 7.9844 8.0061 8.0061 8.5064 8.5064 8.5487 8.5487 9.0777 9.0777 9.0954 9.0954 9.6464 9.6464 9.6914 9.6914 9.7781 9.7781 9.8607 9.8607 11.5096 11.5096 11.5472 11.5472 12.3047 12.3047 12.4232 12.4232 12.5166 12.5166 12.6485 12.6485 12.9086 12.9086 12.9874 12.9874 13.4183 13.4183 13.4402 13.4402 k = 0.4583 0.5000-0.0000 ( 9682 PWs) bands (ev): -16.8118 -16.8118 -16.8118 -16.8118 -16.7650 -16.7650 -16.7649 -16.7649 -3.6495 -3.6495 -3.6424 -3.6424 -3.5720 -3.5720 -3.5663 -3.5663 -1.9042 -1.9042 -1.8746 -1.8746 -1.7802 -1.7802 -1.7460 -1.7460 -1.6057 -1.6057 -1.5937 -1.5937 -1.3213 -1.3213 -1.3079 -1.3079 2.4543 2.4543 2.4586 2.4586 2.7539 2.7539 2.7584 2.7584 5.6338 5.6338 5.6537 5.6537 5.8697 5.8697 5.9222 5.9222 6.2097 6.2097 6.2749 6.2749 6.4495 6.4495 6.4834 6.4834 6.7850 6.7850 6.8313 6.8313 7.0568 7.0568 7.0917 7.0917 7.3324 7.3324 7.3844 7.3844 7.6464 7.6464 7.6705 7.6705 7.8787 7.8787 7.9237 7.9237 7.9849 7.9849 7.9998 7.9998 8.5123 8.5123 8.5408 8.5408 9.0738 9.0738 9.0859 9.0859 9.6606 9.6606 9.6943 9.6943 9.7804 9.7804 9.8411 9.8411 11.5162 11.5162 11.5411 11.5411 12.3376 12.3376 12.4177 12.4177 12.5684 12.5684 12.6705 12.6705 12.9049 12.9049 12.9709 12.9709 13.3966 13.3966 13.4129 13.4129 k = 0.4792 0.5000-0.0000 ( 9692 PWs) bands (ev): -16.8117 -16.8117 -16.8117 -16.8117 -16.7651 -16.7651 -16.7651 -16.7651 -3.6471 -3.6471 -3.6434 -3.6434 -3.5716 -3.5716 -3.5687 -3.5687 -1.8973 -1.8973 -1.8824 -1.8824 -1.7722 -1.7722 -1.7549 -1.7549 -1.6028 -1.6028 -1.5968 -1.5968 -1.3170 -1.3170 -1.3103 -1.3103 2.4610 2.4610 2.4632 2.4632 2.7509 2.7509 2.7532 2.7532 5.6387 5.6387 5.6485 5.6485 5.8829 5.8829 5.9092 5.9092 6.2278 6.2278 6.2607 6.2607 6.4562 6.4562 6.4732 6.4732 6.7967 6.7967 6.8200 6.8200 7.0683 7.0683 7.0862 7.0862 7.3417 7.3417 7.3686 7.3686 7.6512 7.6512 7.6634 7.6634 7.8902 7.8902 7.9132 7.9132 7.9870 7.9870 7.9946 7.9946 8.5187 8.5187 8.5331 8.5331 9.0727 9.0727 9.0788 9.0788 9.6731 9.6731 9.6913 9.6913 9.7898 9.7898 9.8221 9.8221 11.5225 11.5225 11.5349 11.5349 12.3652 12.3652 12.4055 12.4055 12.6153 12.6153 12.6723 12.6723 12.9124 12.9124 12.9512 12.9512 13.3836 13.3836 13.3923 13.3923 k = 0.5000 0.5000-0.0000 ( 9684 PWs) bands (ev): -16.8116 -16.8116 -16.8116 -16.8116 -16.7652 -16.7652 -16.7652 -16.7652 -3.6450 -3.6450 -3.6450 -3.6450 -3.5705 -3.5705 -3.5705 -3.5705 -1.8900 -1.8900 -1.8900 -1.8900 -1.7637 -1.7637 -1.7637 -1.7637 -1.5999 -1.5999 -1.5999 -1.5999 -1.3134 -1.3134 -1.3134 -1.3134 2.4640 2.4640 2.4640 2.4640 2.7506 2.7506 2.7506 2.7506 5.6436 5.6436 5.6436 5.6436 5.8961 5.8961 5.8961 5.8961 6.2449 6.2449 6.2449 6.2449 6.4641 6.4641 6.4641 6.4641 6.8084 6.8084 6.8084 6.8084 7.0782 7.0782 7.0782 7.0782 7.3541 7.3541 7.3541 7.3541 7.6569 7.6569 7.6569 7.6569 7.9019 7.9019 7.9019 7.9019 7.9903 7.9903 7.9903 7.9903 8.5257 8.5257 8.5257 8.5257 9.0744 9.0744 9.0744 9.0744 9.6836 9.6836 9.6836 9.6836 9.8045 9.8045 9.8045 9.8045 11.5288 11.5288 11.5288 11.5288 12.3878 12.3878 12.3878 12.3878 12.6521 12.6521 12.6521 12.6521 12.9300 12.9300 12.9300 12.9300 13.3819 13.3819 13.3819 13.3819 k = 0.5000 0.5000-0.0000 ( 9684 PWs) bands (ev): -16.8116 -16.8116 -16.8116 -16.8116 -16.7652 -16.7652 -16.7652 -16.7652 -3.6450 -3.6450 -3.6450 -3.6450 -3.5705 -3.5705 -3.5705 -3.5705 -1.8900 -1.8900 -1.8900 -1.8900 -1.7637 -1.7637 -1.7637 -1.7637 -1.5999 -1.5999 -1.5999 -1.5999 -1.3134 -1.3134 -1.3134 -1.3134 2.4640 2.4640 2.4640 2.4640 2.7506 2.7506 2.7506 2.7506 5.6436 5.6436 5.6436 5.6436 5.8961 5.8961 5.8961 5.8961 6.2449 6.2449 6.2449 6.2449 6.4641 6.4641 6.4641 6.4641 6.8084 6.8084 6.8084 6.8084 7.0782 7.0782 7.0782 7.0782 7.3541 7.3541 7.3541 7.3541 7.6569 7.6569 7.6569 7.6569 7.9019 7.9019 7.9019 7.9019 7.9903 7.9903 7.9903 7.9903 8.5257 8.5257 8.5257 8.5257 9.0744 9.0744 9.0744 9.0744 9.6836 9.6836 9.6836 9.6836 9.8045 9.8045 9.8045 9.8045 11.5288 11.5288 11.5288 11.5288 12.3878 12.3878 12.3878 12.3878 12.6521 12.6521 12.6521 12.6521 12.9300 12.9300 12.9300 12.9300 13.3819 13.3819 13.3819 13.3819 k = 0.4853 0.4853-0.0000 ( 9692 PWs) bands (ev): -16.8118 -16.8118 -16.8115 -16.8115 -16.7652 -16.7652 -16.7651 -16.7650 -3.6478 -3.6462 -3.6443 -3.6428 -3.5719 -3.5716 -3.5688 -3.5683 -1.8981 -1.8971 -1.8827 -1.8814 -1.7753 -1.7656 -1.7617 -1.7515 -1.6039 -1.6024 -1.5976 -1.5954 -1.3184 -1.3147 -1.3123 -1.3093 2.4591 2.4604 2.4637 2.4652 2.7496 2.7516 2.7528 2.7544 5.6360 5.6413 5.6457 5.6509 5.8776 5.8910 5.9004 5.9145 6.2277 6.2326 6.2562 6.2604 6.4529 6.4562 6.4737 6.4762 6.7929 6.8062 6.8107 6.8234 7.0630 7.0724 7.0832 7.0926 7.3439 7.3454 7.3635 7.3674 7.6429 7.6508 7.6643 7.6712 7.8903 7.8952 7.9085 7.9142 7.9827 7.9877 7.9933 7.9988 8.5156 8.5184 8.5335 8.5356 9.0663 9.0713 9.0800 9.0814 9.6672 9.6725 9.6919 9.7014 9.7818 9.7958 9.8171 9.8298 11.5211 11.5259 11.5325 11.5348 12.3621 12.3765 12.3874 12.4108 12.5956 12.6404 12.6512 12.6873 12.9056 12.9128 12.9402 12.9722 13.3833 13.3865 13.3893 13.3950 k = 0.4706 0.4706-0.0000 ( 9674 PWs) bands (ev): -16.8123 -16.8123 -16.8114 -16.8114 -16.7652 -16.7651 -16.7648 -16.7647 -3.6510 -3.6477 -3.6438 -3.6411 -3.5731 -3.5721 -3.5664 -3.5651 -1.9058 -1.9039 -1.8752 -1.8726 -1.7862 -1.7675 -1.7598 -1.7388 -1.6077 -1.6051 -1.5956 -1.5907 -1.3243 -1.3163 -1.3116 -1.3060 2.4467 2.4491 2.4635 2.4665 2.7489 2.7528 2.7602 2.7631 5.6282 5.6389 5.6477 5.6581 5.8593 5.8855 5.9038 5.9328 6.2093 6.2195 6.2666 6.2739 6.4425 6.4509 6.4842 6.4893 6.7770 6.8041 6.8129 6.8375 7.0481 7.0658 7.0872 7.1051 7.3371 7.3383 7.3734 7.3830 7.6295 7.6461 7.6727 7.6851 7.8799 7.8888 7.9144 7.9265 7.9771 7.9857 7.9968 8.0079 8.5052 8.5118 8.5414 8.5452 9.0568 9.0711 9.0854 9.0898 9.6526 9.6582 9.6979 9.7192 9.7632 9.7915 9.8326 9.8570 11.5092 11.5213 11.5378 11.5436 12.3350 12.3537 12.3760 12.4263 12.5275 12.6086 12.6425 12.7074 12.8829 12.8925 12.9601 13.0205 13.3941 13.4003 13.4109 13.4224 k = 0.4559 0.4559-0.0000 ( 9668 PWs) bands (ev): -16.8132 -16.8131 -16.8110 -16.8110 -16.7652 -16.7651 -16.7643 -16.7642 -3.6544 -3.6496 -3.6437 -3.6398 -3.5743 -3.5723 -3.5631 -3.5610 -1.9130 -1.9103 -1.8680 -1.8635 -1.7961 -1.7693 -1.7578 -1.7258 -1.6110 -1.6079 -1.5939 -1.5857 -1.3312 -1.3180 -1.3114 -1.3037 2.4278 2.4311 2.4638 2.4683 2.7484 2.7543 2.7719 2.7759 5.6200 5.6365 5.6496 5.6652 5.8412 5.8796 5.9062 5.9506 6.1902 6.2058 6.2758 6.2852 6.4330 6.4488 6.4951 6.5033 6.7609 6.8021 6.8151 6.8505 7.0341 7.0586 7.0903 7.1149 7.3304 7.3370 7.3836 7.4001 7.6171 7.6430 7.6817 7.6982 7.8710 7.8830 7.9189 7.9376 7.9751 7.9844 8.0006 8.0174 8.4945 8.5061 8.5489 8.5544 9.0462 9.0738 9.0892 9.1011 9.6395 9.6416 9.7020 9.7310 9.7554 9.7917 9.8505 9.8853 11.4921 11.5122 11.5466 11.5560 12.3066 12.3208 12.3559 12.4122 12.4741 12.5578 12.6335 12.7233 12.8488 12.8722 12.9934 13.0637 13.4108 13.4199 13.4449 13.4601 k = 0.4412 0.4412-0.0000 ( 9674 PWs) bands (ev): -16.8143 -16.8142 -16.8106 -16.8106 -16.7651 -16.7651 -16.7636 -16.7635 -3.6581 -3.6518 -3.6439 -3.6389 -3.5755 -3.5725 -3.5589 -3.5560 -1.9197 -1.9164 -1.8613 -1.8545 -1.8043 -1.7710 -1.7557 -1.7126 -1.6139 -1.6106 -1.5926 -1.5805 -1.3389 -1.3199 -1.3117 -1.3020 2.4036 2.4075 2.4646 2.4705 2.7481 2.7559 2.7865 2.7914 5.6114 5.6340 5.6512 5.6723 5.8235 5.8738 5.9073 5.9678 6.1708 6.1918 6.2838 6.2942 6.4247 6.4499 6.5059 6.5179 6.7447 6.8002 6.8173 6.8621 7.0220 7.0507 7.0926 7.1216 7.3242 7.3410 7.3936 7.4181 7.6061 7.6416 7.6911 7.7098 7.8640 7.8781 7.9207 7.9461 7.9787 7.9839 8.0048 8.0273 8.4836 8.5015 8.5559 8.5630 9.0350 9.0783 9.0936 9.1150 9.6219 9.6299 9.7026 9.7289 9.7675 9.7963 9.8700 9.9145 11.4691 11.4974 11.5589 11.5718 12.2732 12.2816 12.3301 12.3458 12.4557 12.5036 12.6242 12.7326 12.8176 12.8523 13.0264 13.0945 13.4307 13.4439 13.4866 13.5042 k = 0.4265 0.4265-0.0000 ( 9676 PWs) bands (ev): -16.8157 -16.8156 -16.8101 -16.8100 -16.7651 -16.7651 -16.7628 -16.7627 -3.6618 -3.6542 -3.6442 -3.6384 -3.5768 -3.5727 -3.5536 -3.5503 -1.9259 -1.9220 -1.8562 -1.8459 -1.8097 -1.7727 -1.7537 -1.6991 -1.6163 -1.6133 -1.5917 -1.5750 -1.3475 -1.3219 -1.3126 -1.3010 2.3754 2.3797 2.4658 2.4732 2.7481 2.7577 2.8029 2.8085 5.6023 5.6312 5.6525 5.6793 5.8063 5.8681 5.9071 5.9836 6.1516 6.1782 6.2903 6.3012 6.4179 6.4541 6.5166 6.5326 6.7287 6.7987 6.8194 6.8718 7.0122 7.0422 7.0941 7.1255 7.3188 7.3499 7.4033 7.4364 7.5968 7.6418 7.7005 7.7193 7.8587 7.8746 7.9196 7.9522 7.9831 7.9891 8.0093 8.0375 8.4723 8.4978 8.5621 8.5706 9.0238 9.0810 9.1024 9.1316 9.6024 9.6215 9.6976 9.7298 9.7826 9.8068 9.8911 9.9439 11.4396 11.4764 11.5745 11.5904 12.2244 12.2451 12.2696 12.3021 12.4197 12.4674 12.6098 12.7212 12.8050 12.8437 13.0501 13.1091 13.4519 13.4718 13.5314 13.5515 k = 0.4118 0.4118-0.0000 ( 9694 PWs) bands (ev): -16.8173 -16.8172 -16.8094 -16.8094 -16.7651 -16.7651 -16.7619 -16.7618 -3.6655 -3.6567 -3.6448 -3.6380 -3.5782 -3.5730 -3.5475 -3.5439 -1.9316 -1.9271 -1.8546 -1.8377 -1.8106 -1.7743 -1.7515 -1.6855 -1.6183 -1.6156 -1.5912 -1.5694 -1.3568 -1.3240 -1.3142 -1.3005 2.3440 2.3484 2.4676 2.4763 2.7483 2.7597 2.8203 2.8265 5.5926 5.6283 5.6535 5.6862 5.7898 5.8627 5.9055 5.9974 6.1333 6.1658 6.2950 6.3065 6.4133 6.4607 6.5269 6.5472 6.7134 6.7974 6.8214 6.8791 7.0049 7.0332 7.0950 7.1276 7.3138 7.3624 7.4124 7.4548 7.5896 7.6434 7.7096 7.7268 7.8544 7.8730 7.9168 7.9572 7.9841 8.0011 8.0145 8.0479 8.4607 8.4951 8.5672 8.5770 9.0130 9.0806 9.1172 9.1511 9.5833 9.6152 9.6901 9.7361 9.7933 9.8245 9.9134 9.9732 11.4030 11.4487 11.5924 11.6111 12.1649 12.1885 12.2164 12.2745 12.3670 12.4424 12.5852 12.6902 12.8091 12.8529 13.0616 13.1080 13.4745 13.5033 13.5756 13.5987 k = 0.3971 0.3971-0.0000 ( 9706 PWs) bands (ev): -16.8191 -16.8190 -16.8086 -16.8086 -16.7651 -16.7651 -16.7610 -16.7609 -3.6691 -3.6592 -3.6454 -3.6379 -3.5797 -3.5736 -3.5408 -3.5371 -1.9369 -1.9317 -1.8571 -1.8297 -1.8068 -1.7758 -1.7491 -1.6720 -1.6197 -1.6174 -1.5911 -1.5637 -1.3669 -1.3261 -1.3166 -1.3005 2.3098 2.3143 2.4699 2.4799 2.7488 2.7618 2.8379 2.8446 5.5824 5.6249 5.6541 5.6931 5.7741 5.8579 5.9026 6.0079 6.1166 6.1559 6.2972 6.3108 6.4115 6.4691 6.5367 6.5614 6.6991 6.7966 6.8231 6.8840 7.0002 7.0237 7.0952 7.1291 7.3092 7.3773 7.4208 7.4730 7.5846 7.6461 7.7179 7.7325 7.8505 7.8737 7.9134 7.9616 7.9857 8.0125 8.0221 8.0584 8.4486 8.4933 8.5706 8.5823 9.0036 9.0785 9.1367 9.1740 9.5653 9.6107 9.6832 9.7456 9.8012 9.8463 9.9365 10.0020 11.3586 11.4137 11.6117 11.6329 12.0972 12.1242 12.1779 12.2480 12.3145 12.4143 12.5509 12.6535 12.8160 12.8730 13.0627 13.0981 13.4986 13.5370 13.6168 13.6430 k = 0.3824 0.3824-0.0000 ( 9698 PWs) bands (ev): -16.8210 -16.8210 -16.8077 -16.8077 -16.7651 -16.7650 -16.7600 -16.7599 -3.6725 -3.6618 -3.6461 -3.6379 -3.5813 -3.5743 -3.5335 -3.5298 -1.9417 -1.9358 -1.8621 -1.8219 -1.8003 -1.7772 -1.7464 -1.6588 -1.6205 -1.6183 -1.5915 -1.5578 -1.3775 -1.3282 -1.3198 -1.3009 2.2735 2.2779 2.4729 2.4841 2.7495 2.7641 2.8554 2.8626 5.5716 5.6209 5.6542 5.6998 5.7594 5.8539 5.8984 6.0134 6.1020 6.1503 6.2965 6.3149 6.4129 6.4787 6.5455 6.5751 6.6866 6.7963 6.8244 6.8866 6.9974 7.0140 7.0946 7.1312 7.3049 7.3931 7.4282 7.4907 7.5822 7.6494 7.7246 7.7379 7.8465 7.8763 7.9103 7.9653 7.9879 8.0202 8.0341 8.0686 8.4362 8.4923 8.5718 8.5869 8.9963 9.0760 9.1597 9.2007 9.5491 9.6080 9.6780 9.7574 9.8082 9.8699 9.9601 10.0298 11.3062 11.3710 11.6313 11.6547 12.0285 12.0659 12.1392 12.2216 12.2662 12.3824 12.5113 12.6170 12.8168 12.8901 13.0589 13.0937 13.5235 13.5709 13.6531 13.6816 k = 0.3676 0.3676-0.0000 ( 9686 PWs) bands (ev): -16.8231 -16.8230 -16.8067 -16.8066 -16.7650 -16.7650 -16.7590 -16.7589 -3.6757 -3.6642 -3.6469 -3.6380 -3.5830 -3.5753 -3.5258 -3.5222 -1.9462 -1.9393 -1.8681 -1.8144 -1.7933 -1.7785 -1.7430 -1.6466 -1.6204 -1.6178 -1.5923 -1.5519 -1.3887 -1.3304 -1.3238 -1.3015 2.2353 2.2397 2.4765 2.4888 2.7505 2.7665 2.8724 2.8801 5.5602 5.6161 5.6538 5.7064 5.7461 5.8507 5.8931 6.0130 6.0893 6.1506 6.2927 6.3192 6.4173 6.4888 6.5529 6.5880 6.6766 6.7964 6.8253 6.8876 6.9958 7.0041 7.0933 7.1345 7.3010 7.4086 7.4348 7.5077 7.5826 7.6531 7.7288 7.7445 7.8421 7.8799 7.9080 7.9681 7.9904 8.0264 8.0481 8.0783 8.4233 8.4921 8.5701 8.5913 8.9920 9.0739 9.1852 9.2314 9.5350 9.6068 9.6745 9.7711 9.8152 9.8944 9.9835 10.0562 11.2458 11.3205 11.6498 11.6751 11.9648 12.0133 12.1008 12.1907 12.2266 12.3479 12.4704 12.5823 12.8046 12.8880 13.0652 13.1054 13.5474 13.6023 13.6837 13.7136 k = 0.3529 0.3529-0.0000 ( 9687 PWs) bands (ev): -16.8252 -16.8252 -16.8056 -16.8055 -16.7650 -16.7650 -16.7581 -16.7579 -3.6786 -3.6664 -3.6478 -3.6382 -3.5848 -3.5765 -3.5177 -3.5144 -1.9502 -1.9423 -1.8742 -1.8074 -1.7871 -1.7794 -1.7387 -1.6369 -1.6195 -1.6142 -1.5935 -1.5460 -1.4002 -1.3325 -1.3284 -1.3025 2.1956 2.1998 2.4808 2.4941 2.7518 2.7691 2.8886 2.8968 5.5483 5.6101 5.6527 5.7126 5.7346 5.8485 5.8869 6.0075 6.0778 6.1571 6.2862 6.3241 6.4244 6.4990 6.5583 6.6003 6.6700 6.7970 6.8255 6.8877 6.9928 6.9958 7.0913 7.1391 7.2976 7.4226 7.4406 7.5239 7.5859 7.6567 7.7313 7.7524 7.8375 7.8837 7.9069 7.9699 7.9930 8.0328 8.0621 8.0870 8.4102 8.4924 8.5655 8.5955 8.9915 9.0733 9.2125 9.2658 9.5235 9.6068 9.6726 9.7863 9.8228 9.9195 10.0061 10.0805 11.1779 11.2625 11.6654 11.6920 11.9087 11.9678 12.0636 12.1516 12.1988 12.3121 12.4309 12.5505 12.7785 12.8612 13.0924 13.1325 13.5680 13.6281 13.7085 13.7393 k = 0.3382 0.3382-0.0000 ( 9709 PWs) bands (ev): -16.8275 -16.8274 -16.8043 -16.8043 -16.7650 -16.7649 -16.7571 -16.7570 -3.6813 -3.6685 -3.6486 -3.6384 -3.5867 -3.5779 -3.5094 -3.5063 -1.9538 -1.9448 -1.8801 -1.8014 -1.7833 -1.7788 -1.7331 -1.6312 -1.6176 -1.6062 -1.5947 -1.5402 -1.4118 -1.3352 -1.3332 -1.3038 2.1546 2.1585 2.4859 2.5001 2.7534 2.7718 2.9039 2.9126 5.5361 5.6029 5.6510 5.7170 5.7266 5.8474 5.8800 5.9991 6.0671 6.1686 6.2778 6.3296 6.4337 6.5089 6.5614 6.6120 6.6671 6.7981 6.8250 6.8875 6.9835 6.9938 7.0889 7.1444 7.2952 7.4341 7.4461 7.5388 7.5921 7.6602 7.7331 7.7611 7.8327 7.8865 7.9073 7.9705 7.9951 8.0397 8.0757 8.0943 8.3969 8.4934 8.5580 8.5995 8.9956 9.0749 9.2411 9.3028 9.5151 9.6081 9.6717 9.8025 9.8320 9.9449 10.0270 10.1023 11.1037 11.1978 11.6757 11.7026 11.8627 11.9316 12.0283 12.1099 12.1772 12.2762 12.3946 12.5220 12.7427 12.8200 13.1334 13.1703 13.5833 13.6449 13.7284 13.7606 k = 0.3235 0.3235-0.0000 ( 9717 PWs) bands (ev): -16.8297 -16.8297 -16.8030 -16.8030 -16.7649 -16.7649 -16.7563 -16.7562 -3.6836 -3.6703 -3.6494 -3.6388 -3.5887 -3.5795 -3.5010 -3.4981 -1.9570 -1.9467 -1.8855 -1.7972 -1.7826 -1.7757 -1.7265 -1.6282 -1.6147 -1.5997 -1.5914 -1.5344 -1.4234 -1.3404 -1.3359 -1.3054 2.1124 2.1161 2.4917 2.5068 2.7553 2.7747 2.9181 2.9272 5.5237 5.5942 5.6487 5.7139 5.7279 5.8473 5.8727 5.9897 6.0571 6.1834 6.2677 6.3358 6.4446 6.5179 6.5627 6.6234 6.6677 6.7994 6.8237 6.8874 6.9737 6.9919 7.0862 7.1497 7.2941 7.4423 7.4519 7.5523 7.6006 7.6634 7.7353 7.7704 7.8276 7.8877 7.9095 7.9703 7.9964 8.0472 8.0884 8.1001 8.3839 8.4950 8.5480 8.6031 9.0046 9.0796 9.2706 9.3403 9.5105 9.6103 9.6713 9.8189 9.8441 9.9701 10.0458 10.1211 11.0248 11.1276 11.6769 11.7042 11.8299 11.9067 11.9956 12.0698 12.1574 12.2410 12.3626 12.4968 12.7020 12.7736 13.1801 13.2137 13.5918 13.6502 13.7445 13.7801 k = 0.3088 0.3088-0.0000 ( 9705 PWs) bands (ev): -16.8320 -16.8319 -16.8016 -16.8016 -16.7649 -16.7648 -16.7555 -16.7554 -3.6856 -3.6719 -3.6502 -3.6392 -3.5908 -3.5814 -3.4924 -3.4899 -1.9598 -1.9482 -1.8902 -1.7953 -1.7831 -1.7716 -1.7193 -1.6259 -1.6112 -1.6002 -1.5796 -1.5289 -1.4347 -1.3469 -1.3379 -1.3072 2.0694 2.0728 2.4984 2.5142 2.7575 2.7778 2.9310 2.9405 5.5113 5.5843 5.6458 5.7084 5.7333 5.8482 5.8653 5.9804 6.0476 6.2004 6.2566 6.3427 6.4567 6.5253 6.5634 6.6347 6.6711 6.8011 6.8217 6.8878 6.9643 6.9895 7.0833 7.1541 7.2947 7.4473 7.4579 7.5644 7.6103 7.6665 7.7380 7.7803 7.8222 7.8873 7.9132 7.9694 7.9967 8.0547 8.0998 8.1045 8.3712 8.4972 8.5357 8.6065 9.0189 9.0878 9.3005 9.3752 9.5119 9.6128 9.6713 9.8346 9.8601 9.9947 10.0619 10.1364 10.9428 11.0535 11.6651 11.6972 11.8117 11.8939 11.9660 12.0334 12.1375 12.2071 12.3356 12.4752 12.6600 12.7264 13.2275 13.2576 13.5935 13.6452 13.7569 13.7996 k = 0.2941 0.2941-0.0000 ( 9689 PWs) bands (ev): -16.8342 -16.8342 -16.8001 -16.8001 -16.7649 -16.7648 -16.7548 -16.7547 -3.6873 -3.6733 -3.6510 -3.6396 -3.5930 -3.5835 -3.4839 -3.4816 -1.9622 -1.9493 -1.8943 -1.7954 -1.7843 -1.7667 -1.7120 -1.6241 -1.6093 -1.5986 -1.5663 -1.5237 -1.4455 -1.3537 -1.3396 -1.3093 2.0258 2.0289 2.5060 2.5223 2.7600 2.7809 2.9426 2.9525 5.4991 5.5735 5.6424 5.7041 5.7389 5.8500 5.8584 5.9719 6.0389 6.2186 6.2447 6.3504 6.4696 6.5301 6.5656 6.6459 6.6762 6.8030 6.8190 6.8886 6.9553 6.9864 7.0803 7.1570 7.2973 7.4506 7.4633 7.5755 7.6199 7.6697 7.7417 7.7907 7.8166 7.8855 7.9177 7.9681 7.9961 8.0617 8.1056 8.1117 8.3593 8.4999 8.5220 8.6096 9.0382 9.0998 9.3304 9.4029 9.5225 9.6143 9.6725 9.8504 9.8797 10.0178 10.0752 10.1477 10.8597 10.9772 11.6427 11.6840 11.8043 11.8904 11.9405 12.0019 12.1162 12.1751 12.3140 12.4571 12.6191 12.6809 13.2709 13.2972 13.5900 13.6344 13.7640 13.8205 k = 0.2794 0.2794-0.0000 ( 9697 PWs) bands (ev): -16.8365 -16.8365 -16.7986 -16.7985 -16.7648 -16.7648 -16.7542 -16.7540 -3.6886 -3.6744 -3.6517 -3.6400 -3.5953 -3.5858 -3.4753 -3.4733 -1.9641 -1.9499 -1.8976 -1.7969 -1.7865 -1.7614 -1.7050 -1.6232 -1.6107 -1.5921 -1.5529 -1.5188 -1.4553 -1.3609 -1.3412 -1.3117 1.9818 1.9846 2.5145 2.5312 2.7628 2.7842 2.9527 2.9629 5.4875 5.5621 5.6385 5.7008 5.7443 5.8514 5.8535 5.9645 6.0309 6.2294 6.2405 6.3587 6.4830 6.5322 6.5704 6.6569 6.6823 6.8047 6.8161 6.8897 6.9469 6.9828 7.0773 7.1580 7.3018 7.4527 7.4678 7.5856 7.6280 7.6729 7.7461 7.8008 7.8113 7.8826 7.9226 7.9668 7.9948 8.0674 8.1075 8.1208 8.3484 8.5004 8.5099 8.6128 9.0620 9.1155 9.3588 9.4206 9.5446 9.6126 9.6767 9.8673 9.9017 10.0378 10.0861 10.1546 10.7774 10.9003 11.6166 11.6668 11.8024 11.8893 11.9218 11.9762 12.0929 12.1453 12.2978 12.4424 12.5807 12.6381 13.3046 13.3273 13.5845 13.6248 13.7651 13.8437 k = 0.2647 0.2647-0.0000 ( 9697 PWs) bands (ev): -16.8387 -16.8387 -16.7969 -16.7969 -16.7648 -16.7647 -16.7536 -16.7535 -3.6896 -3.6752 -3.6524 -3.6405 -3.5977 -3.5883 -3.4669 -3.4652 -1.9656 -1.9501 -1.9001 -1.7993 -1.7895 -1.7560 -1.6985 -1.6245 -1.6120 -1.5826 -1.5398 -1.5143 -1.4638 -1.3680 -1.3427 -1.3143 1.9376 1.9401 2.5239 2.5408 2.7659 2.7876 2.9611 2.9716 5.4766 5.5508 5.6344 5.6983 5.7493 5.8469 5.8563 5.9581 6.0236 6.2169 6.2596 6.3677 6.4966 6.5327 6.5773 6.6677 6.6888 6.8052 6.8141 6.8911 6.9391 6.9789 7.0742 7.1570 7.3081 7.4536 7.4719 7.5945 7.6343 7.6765 7.7509 7.8024 7.8140 7.8787 7.9275 7.9657 7.9934 8.0707 8.1094 8.1289 8.3388 8.4881 8.5110 8.6162 9.0894 9.1344 9.3830 9.4325 9.5748 9.6057 9.6857 9.8859 9.9250 10.0520 10.0962 10.1566 10.6981 10.8249 11.5915 11.6480 11.8023 11.8814 11.9154 11.9573 12.0682 12.1176 12.2867 12.4308 12.5456 12.5984 13.3223 13.3429 13.5810 13.6229 13.7616 13.8663 k = 0.2500 0.2500-0.0000 ( 9685 PWs) bands (ev): -16.8409 -16.8409 -16.7952 -16.7952 -16.7648 -16.7647 -16.7532 -16.7531 -3.6903 -3.6758 -3.6530 -3.6411 -3.6002 -3.5910 -3.4586 -3.4571 -1.9667 -1.9499 -1.9019 -1.8025 -1.7931 -1.7507 -1.6926 -1.6290 -1.6115 -1.5714 -1.5276 -1.5103 -1.4703 -1.3750 -1.3440 -1.3170 1.8935 1.8957 2.5343 2.5513 2.7693 2.7910 2.9679 2.9786 5.4668 5.5401 5.6300 5.6963 5.7536 5.8434 5.8603 5.9528 6.0170 6.2026 6.2805 6.3773 6.5100 6.5331 6.5855 6.6779 6.6956 6.8027 6.8149 6.8924 6.9319 6.9747 7.0710 7.1541 7.3156 7.4535 7.4762 7.6021 7.6386 7.6804 7.7558 7.7960 7.8236 7.8737 7.9317 7.9652 7.9925 8.0708 8.1124 8.1359 8.3306 8.4723 8.5166 8.6199 9.1193 9.1554 9.3979 9.4478 9.5925 9.6089 9.7003 9.9059 9.9489 10.0578 10.1067 10.1540 10.6241 10.7528 11.5697 11.6298 11.8016 11.8693 11.9148 11.9467 12.0439 12.0912 12.2801 12.4220 12.5140 12.5621 13.3209 13.3418 13.5824 13.6310 13.7560 13.8784 k = 0.2353 0.2353-0.0000 ( 9699 PWs) bands (ev): -16.8430 -16.8430 -16.7935 -16.7935 -16.7647 -16.7647 -16.7530 -16.7529 -3.6906 -3.6761 -3.6535 -3.6416 -3.6028 -3.5940 -3.4505 -3.4492 -1.9673 -1.9494 -1.9029 -1.8065 -1.7970 -1.7456 -1.6872 -1.6358 -1.6102 -1.5591 -1.5177 -1.5062 -1.4740 -1.3815 -1.3452 -1.3200 1.8497 1.8517 2.5456 2.5626 2.7728 2.7945 2.9729 2.9837 5.4583 5.5302 5.6254 5.6942 5.7571 5.8418 5.8648 5.9485 6.0110 6.1875 6.3020 6.3874 6.5219 6.5352 6.5944 6.6872 6.7026 6.7981 6.8175 6.8936 6.9254 6.9706 7.0677 7.1498 7.3239 7.4526 7.4806 7.6078 7.6416 7.6845 7.7601 7.7887 7.8324 7.8676 7.9342 7.9659 7.9931 8.0681 8.1166 8.1421 8.3242 8.4568 8.5236 8.6243 9.1501 9.1766 9.4036 9.4696 9.5770 9.6406 9.7198 9.9258 9.9722 10.0552 10.1137 10.1499 10.5581 10.6862 11.5525 11.6136 11.7985 11.8595 11.9096 11.9457 12.0234 12.0657 12.2772 12.4151 12.4863 12.5292 13.3028 13.3264 13.5879 13.6453 13.7506 13.8789 k = 0.2206 0.2206-0.0000 ( 9701 PWs) bands (ev): -16.8451 -16.8451 -16.7917 -16.7917 -16.7647 -16.7646 -16.7528 -16.7527 -3.6906 -3.6761 -3.6540 -3.6422 -3.6055 -3.5971 -3.4426 -3.4416 -1.9674 -1.9485 -1.9031 -1.8112 -1.8012 -1.7406 -1.6824 -1.6440 -1.6088 -1.5459 -1.5122 -1.5016 -1.4732 -1.3873 -1.3463 -1.3231 1.8065 1.8082 2.5579 2.5747 2.7766 2.7981 2.9762 2.9869 5.4514 5.5216 5.6208 5.6920 5.7595 5.8422 5.8697 5.9452 6.0055 6.1717 6.3239 6.3978 6.5296 6.5421 6.6038 6.6954 6.7098 6.7928 6.8209 6.8946 6.9195 6.9666 7.0642 7.1442 7.3325 7.4511 7.4853 7.6111 7.6441 7.6887 7.7637 7.7810 7.8395 7.8606 7.9337 7.9681 7.9958 8.0635 8.1212 8.1480 8.3200 8.4426 8.5318 8.6294 9.1790 9.1952 9.4074 9.4923 9.5612 9.6701 9.7431 9.9426 9.9935 10.0466 10.1074 10.1534 10.5023 10.6271 11.5403 11.6003 11.7925 11.8532 11.8989 11.9496 12.0101 12.0422 12.2772 12.4088 12.4625 12.5002 13.2739 13.3017 13.5946 13.6605 13.7470 13.8760 k = 0.2059 0.2059-0.0000 ( 9679 PWs) bands (ev): -16.8470 -16.8470 -16.7898 -16.7898 -16.7646 -16.7646 -16.7527 -16.7526 -3.6902 -3.6759 -3.6543 -3.6428 -3.6083 -3.6004 -3.4350 -3.4342 -1.9670 -1.9473 -1.9026 -1.8166 -1.8055 -1.7358 -1.6780 -1.6531 -1.6077 -1.5326 -1.5102 -1.4986 -1.4670 -1.3920 -1.3473 -1.3264 1.7643 1.7657 2.5711 2.5876 2.7806 2.8016 2.9775 2.9882 5.4461 5.5145 5.6161 5.6892 5.7612 5.8447 5.8748 5.9427 6.0005 6.1553 6.3461 6.4087 6.5340 6.5528 6.6135 6.7026 6.7169 6.7874 6.8245 6.8951 6.9142 6.9629 7.0605 7.1375 7.3413 7.4495 7.4899 7.6118 7.6468 7.6927 7.7659 7.7733 7.8446 7.8528 7.9303 7.9711 8.0004 8.0580 8.1257 8.1538 8.3185 8.4305 8.5410 8.6352 9.1984 9.2120 9.4156 9.5061 9.5555 9.6967 9.7685 9.9502 10.0073 10.0352 10.0942 10.1642 10.4581 10.5773 11.5333 11.5903 11.7843 11.8484 11.8836 11.9550 11.9987 12.0298 12.2791 12.4009 12.4431 12.4757 13.2399 13.2725 13.6008 13.6724 13.7460 13.8719 k = 0.1912 0.1912-0.0000 ( 9697 PWs) bands (ev): -16.8489 -16.8489 -16.7880 -16.7880 -16.7646 -16.7645 -16.7528 -16.7527 -3.6895 -3.6754 -3.6546 -3.6434 -3.6112 -3.6039 -3.4278 -3.4271 -1.9661 -1.9459 -1.9013 -1.8224 -1.8101 -1.7312 -1.6749 -1.6619 -1.6069 -1.5203 -1.5097 -1.4971 -1.4569 -1.3954 -1.3481 -1.3296 1.7232 1.7244 2.5853 2.6013 2.7847 2.8050 2.9770 2.9875 5.4427 5.5092 5.6115 5.6858 5.7623 5.8489 5.8802 5.9410 5.9959 6.1382 6.3686 6.4198 6.5385 6.5636 6.6234 6.7088 6.7230 6.7823 6.8281 6.8952 6.9095 6.9597 7.0565 7.1300 7.3499 7.4479 7.4942 7.6098 7.6500 7.6964 7.7633 7.7691 7.8445 7.8477 7.9253 7.9735 8.0055 8.0522 8.1299 8.1600 8.3203 8.4213 8.5513 8.6418 9.1991 9.2279 9.4319 9.5038 9.5705 9.7210 9.7938 9.9422 9.9910 10.0374 10.0919 10.1779 10.4252 10.5379 11.5314 11.5838 11.7751 11.8421 11.8648 11.9611 11.9810 12.0379 12.2822 12.3896 12.4272 12.4579 13.2047 13.2423 13.6059 13.6800 13.7467 13.8667 k = 0.1765 0.1765-0.0000 ( 9697 PWs) bands (ev): -16.8507 -16.8507 -16.7861 -16.7861 -16.7646 -16.7645 -16.7530 -16.7529 -3.6885 -3.6747 -3.6548 -3.6440 -3.6141 -3.6075 -3.4209 -3.4204 -1.9646 -1.9441 -1.8993 -1.8286 -1.8152 -1.7270 -1.6775 -1.6655 -1.6067 -1.5163 -1.5037 -1.4954 -1.4453 -1.3972 -1.3488 -1.3329 1.6835 1.6845 2.6003 2.6158 2.7889 2.8084 2.9746 2.9847 5.4413 5.5056 5.6068 5.6814 5.7634 5.8545 5.8856 5.9400 5.9916 6.1204 6.3912 6.4312 6.5441 6.5736 6.6336 6.7144 6.7274 6.7783 6.8318 6.8950 6.9053 6.9571 7.0522 7.1218 7.3584 7.4467 7.4981 7.6057 7.6537 7.6996 7.7558 7.7689 7.8361 7.8486 7.9202 7.9747 8.0093 8.0467 8.1341 8.1664 8.3259 8.4157 8.5625 8.6492 9.1857 9.2326 9.4567 9.5018 9.5951 9.7435 9.8167 9.9197 9.9502 10.0470 10.1038 10.1938 10.4023 10.5084 11.5341 11.5807 11.7652 11.8308 11.8472 11.9468 11.9854 12.0571 12.2856 12.3756 12.4121 12.4483 13.1712 13.2137 13.6103 13.6842 13.7476 13.8602 k = 0.1618 0.1618-0.0000 ( 9701 PWs) bands (ev): -16.8524 -16.8524 -16.7842 -16.7841 -16.7645 -16.7645 -16.7533 -16.7533 -3.6872 -3.6737 -3.6549 -3.6446 -3.6171 -3.6113 -3.4144 -3.4140 -1.9626 -1.9421 -1.8965 -1.8351 -1.8206 -1.7240 -1.6856 -1.6629 -1.6068 -1.5201 -1.4957 -1.4898 -1.4333 -1.3974 -1.3494 -1.3362 1.6457 1.6465 2.6162 2.6309 2.7931 2.8116 2.9703 2.9801 5.4419 5.5038 5.6022 5.6759 5.7648 5.8612 5.8910 5.9395 5.9875 6.1019 6.4135 6.4430 6.5507 6.5825 6.6437 6.7192 6.7292 6.7759 6.8356 6.8947 6.9016 6.9551 7.0475 7.1129 7.3667 7.4460 7.5012 7.5998 7.6577 7.7019 7.7483 7.7682 7.8276 7.8470 7.9164 7.9746 8.0102 8.0416 8.1385 8.1725 8.3360 8.4145 8.5745 8.6573 9.1617 9.2212 9.4873 9.5111 9.6220 9.7640 9.8325 9.8911 9.9023 10.0526 10.1235 10.2124 10.3876 10.4872 11.5408 11.5808 11.7548 11.8124 11.8346 11.9221 12.0047 12.0820 12.2883 12.3614 12.3977 12.4443 13.1417 13.1889 13.6142 13.6862 13.7473 13.8523 k = 0.1471 0.1471-0.0000 ( 9723 PWs) bands (ev): -16.8539 -16.8539 -16.7822 -16.7822 -16.7645 -16.7644 -16.7538 -16.7537 -3.6856 -3.6725 -3.6549 -3.6452 -3.6201 -3.6151 -3.4084 -3.4081 -1.9599 -1.9398 -1.8931 -1.8416 -1.8265 -1.7238 -1.6920 -1.6593 -1.6073 -1.5263 -1.4921 -1.4794 -1.4215 -1.3960 -1.3500 -1.3393 1.6098 1.6105 2.6329 2.6468 2.7973 2.8147 2.9642 2.9734 5.4444 5.5037 5.5977 5.6694 5.7671 5.8684 5.8964 5.9395 5.9835 6.0827 6.4350 6.4558 6.5583 6.5902 6.6534 6.7232 6.7284 6.7750 6.8396 6.8943 6.8985 6.9538 7.0424 7.1035 7.3749 7.4460 7.5033 7.5926 7.6622 7.7033 7.7414 7.7668 7.8192 7.8427 7.9145 7.9733 8.0080 8.0366 8.1431 8.1780 8.3507 8.4182 8.5872 8.6659 9.1296 9.1948 9.5196 9.5338 9.6491 9.7812 9.8216 9.8532 9.8808 10.0523 10.1473 10.2333 10.3796 10.4723 11.5506 11.5837 11.7436 11.7926 11.8229 11.8969 12.0284 12.1098 12.2896 12.3493 12.3856 12.4427 13.1178 13.1694 13.6177 13.6869 13.7452 13.8431 k = 0.1324 0.1324-0.0000 ( 9715 PWs) bands (ev): -16.8553 -16.8553 -16.7803 -16.7803 -16.7645 -16.7644 -16.7543 -16.7543 -3.6837 -3.6711 -3.6548 -3.6459 -3.6232 -3.6191 -3.4028 -3.4026 -1.9567 -1.9373 -1.8891 -1.8481 -1.8328 -1.7287 -1.6935 -1.6555 -1.6082 -1.5340 -1.4885 -1.4697 -1.4100 -1.3932 -1.3504 -1.3422 1.5763 1.5768 2.6504 2.6633 2.8014 2.8175 2.9564 2.9650 5.4489 5.5052 5.5933 5.6616 5.7704 5.8761 5.9017 5.9398 5.9796 6.0630 6.4540 6.4710 6.5665 6.5969 6.6622 6.7244 6.7279 6.7744 6.8441 6.8939 6.8963 6.9532 7.0368 7.0935 7.3830 7.4466 7.5042 7.5842 7.6670 7.7039 7.7356 7.7648 7.8110 7.8359 7.9149 7.9711 8.0036 8.0312 8.1476 8.1824 8.3700 8.4273 8.6004 8.6748 9.0918 9.1575 9.5508 9.5670 9.6746 9.7800 9.7862 9.8219 9.8894 10.0467 10.1737 10.2551 10.3767 10.4615 11.5625 11.5891 11.7315 11.7745 11.8103 11.8723 12.0541 12.1383 12.2892 12.3407 12.3768 12.4414 13.1012 13.1567 13.6209 13.6862 13.7418 13.8327 k = 0.1176 0.1176-0.0000 ( 9713 PWs) bands (ev): -16.8566 -16.8566 -16.7784 -16.7784 -16.7644 -16.7644 -16.7550 -16.7550 -3.6816 -3.6695 -3.6547 -3.6465 -3.6263 -3.6232 -3.3978 -3.3976 -1.9528 -1.9345 -1.8845 -1.8545 -1.8396 -1.7377 -1.6904 -1.6518 -1.6093 -1.5428 -1.4847 -1.4616 -1.3992 -1.3890 -1.3509 -1.3448 1.5455 1.5459 2.6685 2.6803 2.8053 2.8200 2.9469 2.9547 5.4552 5.5081 5.5888 5.6528 5.7752 5.8838 5.9068 5.9404 5.9757 6.0427 6.4691 6.4900 6.5748 6.6029 6.6694 6.7219 6.7297 6.7728 6.8491 6.8937 6.8953 6.9533 7.0309 7.0830 7.3913 7.4480 7.5040 7.5748 7.6724 7.7038 7.7310 7.7621 7.8027 7.8274 7.9171 7.9683 7.9982 8.0250 8.1518 8.1854 8.3935 8.4418 8.6140 8.6839 9.0499 9.1134 9.5822 9.6038 9.6936 9.7383 9.7563 9.8267 9.8996 10.0367 10.2020 10.2767 10.3778 10.4531 11.5754 11.5966 11.7188 11.7593 11.7962 11.8487 12.0802 12.1646 12.2886 12.3359 12.3716 12.4394 13.0931 13.1517 13.6237 13.6838 13.7377 13.8217 k = 0.1029 0.1029-0.0000 ( 9723 PWs) bands (ev): -16.8578 -16.8578 -16.7765 -16.7765 -16.7644 -16.7644 -16.7558 -16.7558 -3.6791 -3.6677 -3.6544 -3.6472 -3.6295 -3.6272 -3.3933 -3.3932 -1.9484 -1.9314 -1.8795 -1.8607 -1.8467 -1.7486 -1.6850 -1.6481 -1.6106 -1.5523 -1.4806 -1.4554 -1.3893 -1.3838 -1.3513 -1.3472 1.5175 1.5178 2.6872 2.6979 2.8091 2.8223 2.9359 2.9429 5.4633 5.5121 5.5844 5.6428 5.7815 5.8916 5.9117 5.9410 5.9716 6.0220 6.4817 6.5111 6.5823 6.6087 6.6745 6.7201 6.7306 6.7696 6.8539 6.8934 6.8966 6.9541 7.0245 7.0720 7.3998 7.4501 7.5026 7.5645 7.6784 7.7035 7.7277 7.7588 7.7941 7.8179 7.9207 7.9653 7.9925 8.0179 8.1556 8.1870 8.4207 8.4614 8.6278 8.6929 9.0051 9.0654 9.6107 9.6408 9.6844 9.7003 9.7480 9.8386 9.9070 10.0232 10.2313 10.2971 10.3816 10.4461 11.5880 11.6058 11.7064 11.7467 11.7811 11.8262 12.1052 12.1851 12.2914 12.3343 12.3695 12.4362 13.0944 13.1552 13.6261 13.6790 13.7343 13.8102 k = 0.0882 0.0882-0.0000 ( 9727 PWs) bands (ev): -16.8588 -16.8588 -16.7746 -16.7746 -16.7644 -16.7643 -16.7567 -16.7567 -3.6765 -3.6658 -3.6541 -3.6479 -3.6326 -3.6313 -3.3893 -3.3892 -1.9433 -1.9281 -1.8751 -1.8656 -1.8543 -1.7602 -1.6784 -1.6445 -1.6121 -1.5624 -1.4764 -1.4511 -1.3803 -1.3781 -1.3517 -1.3491 1.4926 1.4929 2.7064 2.7159 2.8127 2.8241 2.9235 2.9295 5.4729 5.5169 5.5800 5.6318 5.7896 5.8991 5.9163 5.9416 5.9675 6.0010 6.4934 6.5325 6.5880 6.6150 6.6768 6.7201 6.7298 6.7652 6.8577 6.8923 6.9017 6.9556 7.0180 7.0604 7.4088 7.4527 7.5001 7.5532 7.6849 7.7036 7.7256 7.7550 7.7852 7.8080 7.9251 7.9624 7.9870 8.0103 8.1589 8.1875 8.4510 8.4858 8.6414 8.7013 8.9585 9.0153 9.6169 9.6575 9.6765 9.6812 9.7653 9.8496 9.9106 10.0068 10.2609 10.3157 10.3872 10.4396 11.5996 11.6158 11.6957 11.7359 11.7653 11.8051 12.1277 12.1968 12.3004 12.3353 12.3700 12.4315 13.1057 13.1672 13.6280 13.6714 13.7323 13.7989 k = 0.0735 0.0735-0.0000 ( 9729 PWs) bands (ev): -16.8597 -16.8597 -16.7728 -16.7728 -16.7644 -16.7643 -16.7577 -16.7577 -3.6736 -3.6636 -3.6537 -3.6486 -3.6358 -3.6354 -3.3859 -3.3859 -1.9377 -1.9245 -1.8760 -1.8646 -1.8618 -1.7718 -1.6709 -1.6410 -1.6139 -1.5728 -1.4722 -1.4485 -1.3726 -1.3722 -1.3521 -1.3506 1.4712 1.4714 2.7260 2.7342 2.8159 2.8256 2.9097 2.9147 5.4838 5.5224 5.5756 5.6199 5.7994 5.9065 5.9206 5.9420 5.9631 5.9799 6.5048 6.5528 6.5915 6.6225 6.6768 6.7206 6.7278 6.7604 6.8600 6.8905 6.9104 6.9579 7.0112 7.0482 7.4183 7.4558 7.4969 7.5413 7.6921 7.7044 7.7246 7.7508 7.7758 7.7979 7.9303 7.9601 7.9818 8.0024 8.1620 8.1869 8.4839 8.5143 8.6546 8.7090 8.9111 8.9644 9.5922 9.6227 9.7020 9.7129 9.7858 9.8581 9.9103 9.9880 10.2898 10.3323 10.3934 10.4332 11.6100 11.6255 11.6879 11.7260 11.7499 11.7858 12.1467 12.2009 12.3145 12.3388 12.3721 12.4252 13.1266 13.1872 13.6291 13.6611 13.7319 13.7880 k = 0.0588 0.0588-0.0000 ( 9741 PWs) bands (ev): -16.8604 -16.8604 -16.7710 -16.7710 -16.7643 -16.7643 -16.7589 -16.7588 -3.6705 -3.6613 -3.6533 -3.6493 -3.6396 -3.6388 -3.3831 -3.3831 -1.9316 -1.9207 -1.8811 -1.8702 -1.8581 -1.7832 -1.6627 -1.6375 -1.6158 -1.5834 -1.4680 -1.4474 -1.3667 -1.3660 -1.3525 -1.3517 1.4533 1.4535 2.7459 2.7527 2.8188 2.8267 2.8949 2.8987 5.4959 5.5282 5.5710 5.6072 5.8112 5.9135 5.9242 5.9421 5.9575 5.9602 6.5158 6.5693 6.5953 6.6309 6.6752 6.7160 6.7287 6.7560 6.8616 6.8878 6.9220 6.9609 7.0045 7.0355 7.4284 7.4594 7.4931 7.5286 7.6996 7.7062 7.7248 7.7463 7.7663 7.7878 7.9359 7.9587 7.9772 7.9942 8.1649 8.1856 8.5191 8.5464 8.6669 8.7154 8.8635 8.9138 9.5648 9.5903 9.7332 9.7460 9.8053 9.8639 9.9061 9.9670 10.3171 10.3471 10.3989 10.4265 11.6197 11.6337 11.6829 11.7152 11.7368 11.7690 12.1618 12.2006 12.3294 12.3448 12.3748 12.4173 13.1560 13.2135 13.6291 13.6485 13.7329 13.7779 k = 0.0441 0.0441-0.0000 ( 9751 PWs) bands (ev): -16.8609 -16.8609 -16.7692 -16.7692 -16.7643 -16.7643 -16.7601 -16.7600 -3.6672 -3.6589 -3.6528 -3.6501 -3.6435 -3.6419 -3.3809 -3.3809 -1.9250 -1.9166 -1.8867 -1.8784 -1.8508 -1.7942 -1.6540 -1.6343 -1.6179 -1.5940 -1.4639 -1.4476 -1.3619 -1.3609 -1.3530 -1.3524 1.4392 1.4393 2.7659 2.7714 2.8214 2.8273 2.8790 2.8816 5.5090 5.5341 5.5664 5.5938 5.8247 5.9201 5.9253 5.9397 5.9424 5.9542 6.5266 6.5749 6.6068 6.6394 6.6728 6.7061 6.7322 6.7523 6.8632 6.8844 6.9353 6.9647 6.9978 7.0222 7.4393 7.4632 7.4890 7.5155 7.7073 7.7094 7.7260 7.7417 7.7570 7.7778 7.9420 7.9582 7.9729 7.9861 8.1677 8.1837 8.5564 8.5813 8.6776 8.7205 8.8162 8.8644 9.5423 9.5628 9.7647 9.7773 9.8227 9.8666 9.8983 9.9440 10.3417 10.3604 10.4025 10.4193 11.6291 11.6402 11.6795 11.7021 11.7285 11.7552 12.1732 12.1987 12.3424 12.3534 12.3772 12.4081 13.1916 13.2429 13.6258 13.6353 13.7351 13.7687 k = 0.0294 0.0294-0.0000 ( 9775 PWs) bands (ev): -16.8613 -16.8613 -16.7675 -16.7675 -16.7643 -16.7643 -16.7614 -16.7614 -3.6638 -3.6563 -3.6523 -3.6513 -3.6470 -3.6449 -3.3794 -3.3794 -1.9179 -1.9122 -1.8922 -1.8866 -1.8427 -1.8049 -1.6448 -1.6311 -1.6202 -1.6046 -1.4601 -1.4487 -1.3581 -1.3573 -1.3534 -1.3529 1.4291 1.4291 2.7860 2.7901 2.8235 2.8275 2.8623 2.8637 5.5227 5.5400 5.5615 5.5799 5.8399 5.9129 5.9267 5.9348 5.9413 5.9492 6.5371 6.5716 6.6243 6.6475 6.6697 6.6929 6.7360 6.7492 6.8654 6.8804 6.9497 6.9690 6.9913 7.0084 7.4509 7.4672 7.4846 7.5022 7.7135 7.7148 7.7279 7.7370 7.7491 7.7679 7.9485 7.9588 7.9690 7.9780 8.1705 8.1814 8.5957 8.6177 8.6855 8.7246 8.7697 8.8174 9.5268 9.5412 9.7945 9.8072 9.8374 9.8659 9.8874 9.9191 10.3628 10.3724 10.4031 10.4115 11.6387 11.6462 11.6751 11.6876 11.7255 11.7446 12.1813 12.1964 12.3536 12.3628 12.3786 12.3979 13.2294 13.2700 13.6152 13.6258 13.7383 13.7606 k = 0.0147 0.0147-0.0000 ( 9771 PWs) bands (ev): -16.8616 -16.8616 -16.7659 -16.7659 -16.7643 -16.7643 -16.7628 -16.7628 -3.6602 -3.6536 -3.6535 -3.6516 -3.6495 -3.6479 -3.3784 -3.3784 -1.9105 -1.9076 -1.8976 -1.8947 -1.8340 -1.8151 -1.6353 -1.6281 -1.6227 -1.6151 -1.4565 -1.4507 -1.3555 -1.3551 -1.3536 -1.3533 1.4229 1.4230 2.8059 2.8086 2.8251 2.8273 2.8448 2.8451 5.5368 5.5457 5.5565 5.5657 5.8567 5.8938 5.9327 5.9365 5.9401 5.9440 6.5472 6.5649 6.6428 6.6547 6.6657 6.6777 6.7396 6.7461 6.8684 6.8762 6.9645 6.9739 6.9852 6.9940 7.4630 7.4714 7.4802 7.4889 7.7192 7.7208 7.7284 7.7318 7.7461 7.7584 7.9554 7.9603 7.9656 7.9702 8.1733 8.1788 8.6368 8.6530 8.6883 8.7223 8.7318 8.7752 9.5188 9.5263 9.8207 9.8364 9.8476 9.8620 9.8752 9.8927 10.3799 10.3833 10.3999 10.4029 11.6491 11.6529 11.6685 11.6735 11.7267 11.7366 12.1869 12.1938 12.3645 12.3705 12.3783 12.3869 13.2631 13.2866 13.6054 13.6156 13.7424 13.7534 k = 0.0000 0.0000 0.0000 ( 9771 PWs) bands (ev): -16.8616 -16.8616 -16.7643 -16.7643 -16.7643 -16.7643 -16.7643 -16.7643 -3.6567 -3.6567 -3.6508 -3.6508 -3.6508 -3.6508 -3.3781 -3.3781 -1.9027 -1.9027 -1.9027 -1.9027 -1.8248 -1.8248 -1.6253 -1.6253 -1.6253 -1.6253 -1.4534 -1.4534 -1.3540 -1.3540 -1.3540 -1.3540 1.4209 1.4209 2.8256 2.8256 2.8256 2.8256 2.8278 2.8278 5.5512 5.5512 5.5512 5.5512 5.8748 5.8748 5.9385 5.9385 5.9385 5.9385 6.5566 6.5566 6.6608 6.6608 6.6608 6.6608 6.7430 6.7430 6.8721 6.8721 6.9793 6.9793 6.9793 6.9793 7.4758 7.4758 7.4758 7.4758 7.7256 7.7256 7.7256 7.7256 7.7504 7.7504 7.9626 7.9626 7.9626 7.9626 8.1761 8.1761 8.6795 8.6795 8.6795 8.6795 8.7443 8.7443 9.5187 9.5187 9.8411 9.8411 9.8650 9.8650 9.8650 9.8650 10.3929 10.3929 10.3929 10.3929 11.6606 11.6606 11.6606 11.6606 11.7307 11.7307 12.1908 12.1908 12.3757 12.3757 12.3757 12.3757 13.2846 13.2846 13.6059 13.6059 13.7475 13.7475 k = 0.0000 0.0000 0.0000 ( 9771 PWs) bands (ev): -16.8616 -16.8616 -16.7643 -16.7643 -16.7643 -16.7643 -16.7643 -16.7643 -3.6567 -3.6567 -3.6508 -3.6508 -3.6508 -3.6508 -3.3781 -3.3781 -1.9027 -1.9027 -1.9027 -1.9027 -1.8248 -1.8248 -1.6253 -1.6253 -1.6253 -1.6253 -1.4534 -1.4534 -1.3540 -1.3540 -1.3540 -1.3540 1.4209 1.4209 2.8256 2.8256 2.8256 2.8256 2.8278 2.8278 5.5512 5.5512 5.5512 5.5512 5.8748 5.8748 5.9385 5.9385 5.9385 5.9385 6.5566 6.5566 6.6608 6.6608 6.6608 6.6608 6.7430 6.7430 6.8721 6.8721 6.9793 6.9793 6.9793 6.9793 7.4758 7.4758 7.4758 7.4758 7.7256 7.7256 7.7256 7.7256 7.7504 7.7504 7.9626 7.9626 7.9626 7.9626 8.1761 8.1761 8.6795 8.6795 8.6795 8.6795 8.7443 8.7443 9.5187 9.5187 9.8411 9.8411 9.8650 9.8650 9.8650 9.8650 10.3929 10.3929 10.3929 10.3929 11.6606 11.6606 11.6606 11.6606 11.7307 11.7307 12.1908 12.1908 12.3757 12.3757 12.3757 12.3757 13.2846 13.2846 13.6059 13.6059 13.7475 13.7475 k = 0.0119 0.0119 0.0119 ( 9771 PWs) bands (ev): -16.8616 -16.8616 -16.7659 -16.7658 -16.7643 -16.7643 -16.7628 -16.7628 -3.6602 -3.6536 -3.6535 -3.6515 -3.6495 -3.6479 -3.3784 -3.3784 -1.9097 -1.9085 -1.8968 -1.8954 -1.8340 -1.8152 -1.6355 -1.6262 -1.6246 -1.6148 -1.4565 -1.4507 -1.3555 -1.3549 -1.3540 -1.3531 1.4229 1.4229 2.8060 2.8091 2.8246 2.8275 2.8447 2.8450 5.5373 5.5450 5.5570 5.5654 5.8569 5.8937 5.9329 5.9365 5.9400 5.9440 6.5473 6.5648 6.6427 6.6554 6.6651 6.6777 6.7397 6.7461 6.8684 6.8762 6.9648 6.9733 6.9860 6.9935 7.4632 7.4714 7.4802 7.4887 7.7199 7.7202 7.7280 7.7321 7.7463 7.7583 7.9556 7.9600 7.9657 7.9701 8.1734 8.1788 8.6390 8.6501 8.6909 8.7218 8.7303 8.7754 9.5188 9.5262 9.8211 9.8358 9.8498 9.8602 9.8749 9.8930 10.3810 10.3823 10.4014 10.4015 11.6507 11.6512 11.6690 11.6731 11.7268 11.7365 12.1869 12.1938 12.3649 12.3702 12.3783 12.3869 13.2633 13.2867 13.6054 13.6155 13.7426 13.7538 k = 0.0238 0.0238 0.0238 ( 9774 PWs) bands (ev): -16.8613 -16.8613 -16.7675 -16.7674 -16.7643 -16.7643 -16.7614 -16.7614 -3.6637 -3.6563 -3.6521 -3.6513 -3.6471 -3.6451 -3.3794 -3.3793 -1.9163 -1.9141 -1.8908 -1.8877 -1.8426 -1.8051 -1.6453 -1.6273 -1.6242 -1.6040 -1.4600 -1.4488 -1.3585 -1.3556 -1.3553 -1.3521 1.4289 1.4290 2.7862 2.7912 2.8222 2.8277 2.8619 2.8638 5.5238 5.5384 5.5624 5.5795 5.8401 5.9128 5.9272 5.9344 5.9410 5.9494 6.5375 6.5713 6.6236 6.6498 6.6680 6.6932 6.7360 6.7491 6.8654 6.8804 6.9500 6.9681 6.9932 7.0071 7.4509 7.4674 7.4846 7.5019 7.7138 7.7163 7.7240 7.7396 7.7492 7.7672 7.9492 7.9579 7.9693 7.9778 8.1706 8.1814 8.6005 8.6129 8.6891 8.7233 8.7657 8.8190 9.5266 9.5409 9.7966 9.8054 9.8465 9.8537 9.8901 9.9197 10.3656 10.3698 10.4066 10.4083 11.6403 11.6454 11.6742 11.6881 11.7259 11.7438 12.1812 12.1964 12.3551 12.3616 12.3783 12.3981 13.2296 13.2704 13.6156 13.6257 13.7390 13.7616 k = 0.0357 0.0357 0.0357 ( 9750 PWs) bands (ev): -16.8609 -16.8609 -16.7691 -16.7691 -16.7644 -16.7644 -16.7601 -16.7601 -3.6671 -3.6590 -3.6525 -3.6500 -3.6437 -3.6422 -3.3809 -3.3809 -1.9226 -1.9194 -1.8849 -1.8798 -1.8507 -1.7945 -1.6546 -1.6287 -1.6239 -1.5930 -1.4639 -1.4477 -1.3632 -1.3576 -1.3562 -1.3509 1.4389 1.4390 2.7665 2.7734 2.8192 2.8274 2.8785 2.8819 5.5110 5.5317 5.5673 5.5935 5.8248 5.9214 5.9254 5.9387 5.9415 5.9546 6.5275 6.5749 6.6038 6.6451 6.6690 6.7071 6.7322 6.7522 6.8631 6.8846 6.9353 6.9637 7.0007 7.0200 7.4391 7.4637 7.4887 7.5152 7.7078 7.7138 7.7171 7.7480 7.7559 7.7763 7.9437 7.9563 7.9734 7.9858 8.1677 8.1837 8.5642 8.5753 8.6813 8.7165 8.8109 8.8680 9.5417 9.5624 9.7697 9.7737 9.8375 9.8439 9.9043 9.9452 10.3469 10.3554 10.4089 10.4138 11.6295 11.6436 11.6747 11.7049 11.7292 11.7526 12.1730 12.1988 12.3467 12.3499 12.3763 12.4087 13.1911 13.2431 13.6312 13.6321 13.7365 13.7709 k = 0.0476 0.0476 0.0476 ( 9741 PWs) bands (ev): -16.8604 -16.8604 -16.7708 -16.7708 -16.7645 -16.7645 -16.7588 -16.7588 -3.6704 -3.6615 -3.6528 -3.6490 -3.6399 -3.6394 -3.3830 -3.3830 -1.9285 -1.9243 -1.8791 -1.8715 -1.8583 -1.7834 -1.6636 -1.6302 -1.6239 -1.5818 -1.4680 -1.4477 -1.3694 -1.3605 -1.3566 -1.3498 1.4528 1.4529 2.7469 2.7558 2.8154 2.8263 2.8944 2.8992 5.4989 5.5249 5.5718 5.6072 5.8111 5.9157 5.9234 5.9415 5.9572 5.9595 6.5175 6.5741 6.5834 6.6427 6.6683 6.7191 6.7281 6.7553 6.8615 6.8884 6.9208 6.9603 7.0084 7.0321 7.4277 7.4605 7.4923 7.5284 7.7023 7.7099 7.7128 7.7567 7.7637 7.7851 7.9392 7.9552 7.9778 7.9937 8.1647 8.1857 8.5304 8.5395 8.6702 8.7080 8.8572 8.9197 9.5637 9.5899 9.7409 9.7413 9.8245 9.8305 9.9153 9.9693 10.3252 10.3393 10.4088 10.4185 11.6186 11.6459 11.6705 11.7229 11.7362 11.7634 12.1612 12.2005 12.3357 12.3404 12.3728 12.4184 13.1537 13.2128 13.6357 13.6478 13.7351 13.7818 k = 0.0595 0.0595 0.0595 ( 9720 PWs) bands (ev): -16.8597 -16.8597 -16.7725 -16.7725 -16.7646 -16.7645 -16.7577 -16.7577 -3.6735 -3.6638 -3.6530 -3.6479 -3.6366 -3.6360 -3.3858 -3.3858 -1.9339 -1.9288 -1.8736 -1.8654 -1.8630 -1.7720 -1.6721 -1.6318 -1.6240 -1.5705 -1.4723 -1.4492 -1.3771 -1.3637 -1.3568 -1.3485 1.4704 1.4705 2.7277 2.7387 2.8111 2.8247 2.9093 2.9154 5.4880 5.5184 5.5760 5.6204 5.7990 5.9100 5.9187 5.9412 5.9642 5.9779 6.5078 6.5627 6.5685 6.6429 6.6658 6.7242 6.7290 6.7585 6.8606 6.8917 6.9070 6.9580 7.0162 7.0435 7.4167 7.4578 7.4951 7.5413 7.6974 7.7032 7.7133 7.7655 7.7720 7.7934 7.9360 7.9546 7.9826 8.0016 8.1615 8.1873 8.4992 8.5064 8.6569 8.6975 8.9041 8.9731 9.5907 9.6224 9.7069 9.7126 9.8086 9.8137 9.9224 9.9918 10.3013 10.3219 10.4069 10.4231 11.6074 11.6525 11.6630 11.7417 11.7450 11.7765 12.1453 12.2001 12.3209 12.3365 12.3682 12.4267 13.1213 13.1849 13.6382 13.6640 13.7346 13.7942 k = 0.0714 0.0714 0.0714 ( 9696 PWs) bands (ev): -16.8588 -16.8588 -16.7743 -16.7743 -16.7647 -16.7647 -16.7567 -16.7566 -3.6763 -3.6660 -3.6532 -3.6469 -3.6339 -3.6321 -3.3891 -3.3891 -1.9390 -1.9328 -1.8720 -1.8685 -1.8542 -1.7603 -1.6800 -1.6337 -1.6243 -1.5591 -1.4768 -1.4525 -1.3863 -1.3666 -1.3569 -1.3472 1.4915 1.4917 2.7090 2.7220 2.8063 2.8225 2.9230 2.9303 5.4782 5.5123 5.5799 5.6331 5.7887 5.9044 5.9131 5.9406 5.9687 5.9988 6.4984 6.5417 6.5588 6.6452 6.6617 6.7207 6.7365 6.7616 6.8601 6.8941 6.8942 6.9568 7.0238 7.0542 7.4060 7.4556 7.4968 7.5537 7.6930 7.6971 7.7152 7.7740 7.7807 7.8007 7.9343 7.9547 7.9877 8.0092 8.1578 8.1883 8.4710 8.4768 8.6422 8.6852 8.9513 9.0274 9.6174 9.6583 9.6720 9.6879 9.7911 9.7945 9.9251 10.0120 10.2759 10.3037 10.4038 10.4284 11.5958 11.6534 11.6628 11.7544 11.7609 11.7925 12.1249 12.1944 12.3088 12.3354 12.3627 12.4335 13.0964 13.1626 13.6405 13.6800 13.7349 13.8083 k = 0.0833 0.0833 0.0833 ( 9702 PWs) bands (ev): -16.8579 -16.8579 -16.7760 -16.7760 -16.7648 -16.7648 -16.7557 -16.7557 -3.6790 -3.6681 -3.6533 -3.6458 -3.6313 -3.6282 -3.3930 -3.3930 -1.9437 -1.9363 -1.8782 -1.8637 -1.8451 -1.7485 -1.6876 -1.6356 -1.6246 -1.5478 -1.4813 -1.4577 -1.3969 -1.3689 -1.3567 -1.3459 1.5160 1.5162 2.6909 2.7060 2.8010 2.8198 2.9355 2.9439 5.4700 5.5071 5.5837 5.6450 5.7802 5.8989 5.9067 5.9398 5.9728 6.0195 6.4895 6.5206 6.5460 6.6481 6.6562 6.7181 6.7413 6.7645 6.8599 6.8826 6.8959 6.9569 7.0312 7.0641 7.3953 7.4536 7.4973 7.5654 7.6893 7.6919 7.7185 7.7818 7.7896 7.8068 7.9344 7.9554 7.9929 8.0163 8.1533 8.1886 8.4462 8.4508 8.6266 8.6715 8.9981 9.0819 9.6207 9.6363 9.6863 9.6921 9.7763 9.7769 9.9230 10.0289 10.2507 10.2849 10.4005 10.4350 11.5837 11.6421 11.6765 11.7635 11.7805 11.8117 12.1003 12.1799 12.3038 12.3373 12.3566 12.4386 13.0802 13.1477 13.6430 13.6961 13.7356 13.8237 k = 0.0952 0.0952 0.0952 ( 9705 PWs) bands (ev): -16.8567 -16.8567 -16.7778 -16.7778 -16.7650 -16.7650 -16.7549 -16.7549 -3.6813 -3.6699 -3.6533 -3.6446 -3.6288 -3.6244 -3.3975 -3.3974 -1.9479 -1.9393 -1.8838 -1.8594 -1.8357 -1.7367 -1.6946 -1.6376 -1.6250 -1.5366 -1.4860 -1.4650 -1.4086 -1.3703 -1.3563 -1.3446 1.5436 1.5439 2.6735 2.6906 2.7953 2.8167 2.9464 2.9558 5.4633 5.5030 5.5876 5.6562 5.7735 5.8936 5.8996 5.9389 5.9767 6.0399 6.4811 6.4996 6.5313 6.6494 6.6505 6.7166 6.7433 6.7669 6.8600 6.8728 6.8969 6.9581 7.0383 7.0733 7.3847 7.4519 7.4964 7.5762 7.6860 7.6877 7.7229 7.7885 7.7987 7.8115 7.9363 7.9569 7.9980 8.0227 8.1479 8.1880 8.4250 8.4289 8.6104 8.6569 9.0439 9.1358 9.5949 9.6002 9.6984 9.7052 9.7745 9.7847 9.9161 10.0405 10.2281 10.2662 10.3978 10.4437 11.5711 11.6295 11.6922 11.7717 11.8010 11.8341 12.0723 12.1560 12.3072 12.3424 12.3499 12.4420 13.0735 13.1411 13.6458 13.7125 13.7366 13.8405 k = 0.1071 0.1071 0.1071 ( 9714 PWs) bands (ev): -16.8555 -16.8555 -16.7795 -16.7795 -16.7652 -16.7651 -16.7542 -16.7542 -3.6834 -3.6715 -3.6532 -3.6433 -3.6265 -3.6207 -3.4024 -3.4023 -1.9516 -1.9417 -1.8890 -1.8557 -1.8262 -1.7252 -1.7011 -1.6398 -1.6252 -1.5257 -1.4907 -1.4741 -1.4214 -1.3708 -1.3556 -1.3433 1.5741 1.5745 2.6569 2.6761 2.7893 2.8132 2.9558 2.9661 5.4584 5.5003 5.5915 5.6665 5.7686 5.8885 5.8921 5.9379 5.9803 6.0597 6.4733 6.4787 6.5153 6.6416 6.6517 6.7166 6.7423 6.7688 6.8601 6.8649 6.8972 6.9606 7.0448 7.0820 7.3740 7.4501 7.4939 7.5859 7.6831 7.6845 7.7284 7.7942 7.8081 7.8144 7.9398 7.9594 8.0030 8.0281 8.1410 8.1864 8.4081 8.4112 8.5940 8.6419 9.0879 9.1880 9.5614 9.5640 9.6838 9.6893 9.8076 9.8217 9.9052 10.0439 10.2118 10.2478 10.3967 10.4549 11.5581 11.6159 11.7086 11.7788 11.8236 11.8594 12.0425 12.1255 12.3175 12.3426 12.3506 12.4441 13.0762 13.1433 13.6488 13.7293 13.7376 13.8584 k = 0.1190 0.1190 0.1190 ( 9705 PWs) bands (ev): -16.8541 -16.8541 -16.7813 -16.7813 -16.7654 -16.7653 -16.7537 -16.7537 -3.6852 -3.6728 -3.6531 -3.6420 -3.6243 -3.6171 -3.4079 -3.4077 -1.9549 -1.9437 -1.8936 -1.8527 -1.8164 -1.7142 -1.7070 -1.6419 -1.6253 -1.5151 -1.4954 -1.4846 -1.4350 -1.3705 -1.3547 -1.3419 1.6072 1.6077 2.6412 2.6625 2.7831 2.8094 2.9635 2.9745 5.4554 5.4992 5.5957 5.6759 5.7655 5.8837 5.8841 5.9371 5.9837 6.0788 6.4581 6.4662 6.4985 6.6329 6.6515 6.7180 6.7387 6.7700 6.8589 6.8603 6.8969 6.9641 7.0509 7.0901 7.3630 7.4479 7.4898 7.5944 7.6802 7.6822 7.7346 7.7988 7.8157 7.8177 7.9444 7.9629 8.0075 8.0322 8.1326 8.1838 8.3959 8.3974 8.5777 8.6272 9.1290 9.2373 9.5258 9.5284 9.6541 9.6630 9.8584 9.8642 9.8965 10.0364 10.2046 10.2304 10.3982 10.4690 11.5447 11.6014 11.7236 11.7846 11.8495 11.8862 12.0134 12.0915 12.3324 12.3347 12.3613 12.4452 13.0877 13.1538 13.6516 13.7382 13.7463 13.8771 k = 0.1310 0.1310 0.1310 ( 9705 PWs) bands (ev): -16.8525 -16.8525 -16.7830 -16.7830 -16.7656 -16.7656 -16.7532 -16.7532 -3.6868 -3.6740 -3.6530 -3.6407 -3.6222 -3.6137 -3.4138 -3.4136 -1.9577 -1.9451 -1.8978 -1.8503 -1.8064 -1.7125 -1.7042 -1.6441 -1.6250 -1.5049 -1.5000 -1.4959 -1.4494 -1.3696 -1.3534 -1.3406 1.6427 1.6433 2.6265 2.6498 2.7768 2.8055 2.9695 2.9810 5.4544 5.4999 5.6002 5.6844 5.7641 5.8759 5.8792 5.9364 5.9868 6.0971 6.4378 6.4598 6.4812 6.6236 6.6500 6.7206 6.7328 6.7703 6.8543 6.8606 6.8961 6.9686 7.0564 7.0977 7.3516 7.4454 7.4841 7.6016 7.6770 7.6807 7.7414 7.8024 7.8153 7.8276 7.9496 7.9674 8.0114 8.0349 8.1225 8.1800 8.3871 8.3887 8.5616 8.6133 9.1659 9.2816 9.4897 9.4944 9.6187 9.6334 9.8642 9.9160 9.9322 10.0192 10.2062 10.2147 10.4031 10.4860 11.5311 11.5863 11.7357 11.7889 11.8801 11.9084 11.9918 12.0568 12.3264 12.3505 12.3740 12.4464 13.1074 13.1721 13.6540 13.7381 13.7634 13.8963 k = 0.1429 0.1429 0.1429 ( 9711 PWs) bands (ev): -16.8509 -16.8509 -16.7846 -16.7846 -16.7658 -16.7658 -16.7529 -16.7529 -3.6880 -3.6748 -3.6528 -3.6393 -3.6203 -3.6105 -3.4202 -3.4200 -1.9600 -1.9460 -1.9014 -1.8486 -1.7962 -1.7175 -1.6956 -1.6464 -1.6244 -1.5076 -1.5046 -1.4952 -1.4643 -1.3681 -1.3518 -1.3393 1.6803 1.6810 2.6128 2.6381 2.7705 2.8015 2.9736 2.9857 5.4554 5.5026 5.6050 5.6920 5.7646 5.8674 5.8751 5.9360 5.9897 6.1146 6.4179 6.4540 6.4637 6.6139 6.6474 6.7241 6.7253 6.7696 6.8509 6.8610 6.8950 6.9738 7.0614 7.1050 7.3396 7.4421 7.4769 7.6075 7.6730 7.6798 7.7485 7.8053 7.8136 7.8377 7.9544 7.9729 8.0144 8.0364 8.1111 8.1751 8.3794 8.3866 8.5460 8.6008 9.1970 9.3184 9.4541 9.4631 9.5800 9.6030 9.8467 9.9766 9.9874 9.9961 10.2018 10.2135 10.4125 10.5059 11.5174 11.5707 11.7441 11.7917 11.9091 11.9157 11.9954 12.0229 12.3185 12.3711 12.3869 12.4495 13.1341 13.1975 13.6556 13.7367 13.7802 13.9157 k = 0.1548 0.1548 0.1548 ( 9717 PWs) bands (ev): -16.8492 -16.8492 -16.7862 -16.7862 -16.7661 -16.7661 -16.7527 -16.7527 -3.6889 -3.6755 -3.6526 -3.6379 -3.6186 -3.6074 -3.4270 -3.4267 -1.9617 -1.9466 -1.9045 -1.8476 -1.7860 -1.7219 -1.6888 -1.6487 -1.6236 -1.5186 -1.5093 -1.4861 -1.4793 -1.3664 -1.3498 -1.3381 1.7196 1.7205 2.6002 2.6273 2.7643 2.7974 2.9759 2.9883 5.4584 5.5074 5.6104 5.6986 5.7667 5.8588 5.8713 5.9359 5.9925 6.1312 6.3983 6.4462 6.4488 6.6040 6.6440 6.7167 6.7281 6.7678 6.8481 6.8615 6.8937 6.9796 7.0659 7.1119 7.3269 7.4379 7.4682 7.6121 7.6675 7.6794 7.7557 7.8077 7.8109 7.8480 7.9579 7.9790 8.0162 8.0372 8.0986 8.1693 8.3731 8.3892 8.5307 8.5903 9.2203 9.3439 9.4199 9.4362 9.5391 9.5730 9.8304 9.9716 10.0363 10.0453 10.1946 10.2232 10.4268 10.5286 11.5039 11.5548 11.7487 11.7927 11.8886 11.9557 11.9913 12.0233 12.3123 12.3934 12.3980 12.4573 13.1666 13.2287 13.6557 13.7335 13.7962 13.9348 k = 0.1667 0.1667 0.1667 ( 9717 PWs) bands (ev): -16.8473 -16.8473 -16.7878 -16.7878 -16.7664 -16.7664 -16.7527 -16.7527 -3.6895 -3.6759 -3.6523 -3.6364 -3.6171 -3.6045 -3.4341 -3.4338 -1.9630 -1.9467 -1.9071 -1.8475 -1.7757 -1.7258 -1.6840 -1.6509 -1.6232 -1.5280 -1.5143 -1.4940 -1.4778 -1.3644 -1.3475 -1.3369 1.7605 1.7615 2.5887 2.6177 2.7582 2.7934 2.9764 2.9890 5.4634 5.5143 5.6163 5.7042 5.7705 5.8504 5.8680 5.9363 5.9953 6.1469 6.3791 6.4289 6.4442 6.5942 6.6401 6.7075 6.7323 6.7648 6.8455 6.8621 6.8923 6.9858 7.0699 7.1185 7.3136 7.4329 7.4583 7.6155 7.6601 7.6792 7.7628 7.8076 7.8097 7.8585 7.9590 7.9852 8.0166 8.0380 8.0857 8.1627 8.3669 8.3959 8.5161 8.5820 9.2338 9.3546 9.3880 9.4152 9.4966 9.5439 9.8203 9.9488 10.0867 10.1045 10.2011 10.2336 10.4461 10.5536 11.4909 11.5388 11.7500 11.7919 11.8628 11.9630 11.9987 12.0576 12.3105 12.4058 12.4172 12.4718 13.2035 13.2641 13.6538 13.7280 13.8109 13.9534 k = 0.1786 0.1786 0.1786 ( 9723 PWs) bands (ev): -16.8454 -16.8454 -16.7893 -16.7893 -16.7667 -16.7667 -16.7528 -16.7528 -3.6897 -3.6760 -3.6519 -3.6349 -3.6157 -3.6018 -3.4415 -3.4412 -1.9637 -1.9467 -1.9090 -1.8481 -1.7655 -1.7288 -1.6812 -1.6532 -1.6245 -1.5344 -1.5212 -1.5065 -1.4701 -1.3623 -1.3448 -1.3358 1.8027 1.8038 2.5783 2.6091 2.7524 2.7895 2.9751 2.9879 5.4702 5.5234 5.6227 5.7090 5.7759 5.8421 5.8651 5.9372 5.9980 6.1617 6.3604 6.4121 6.4399 6.5848 6.6359 6.6981 6.7368 6.7606 6.8431 6.8627 6.8912 6.9921 7.0734 7.1247 7.2995 7.4269 7.4472 7.6179 7.6502 7.6789 7.7694 7.8041 7.8114 7.8690 7.9573 7.9907 8.0152 8.0397 8.0735 8.1555 8.3598 8.4055 8.5020 8.5761 9.2368 9.3489 9.3589 9.4007 9.4539 9.5142 9.8204 9.9305 10.1130 10.1639 10.2356 10.2441 10.4700 10.5805 11.4786 11.5230 11.7485 11.7891 11.8375 11.9387 12.0427 12.0886 12.3176 12.4127 12.4423 12.4926 13.2424 13.3017 13.6493 13.7197 13.8237 13.9710 k = 0.1905 0.1905 0.1905 ( 9714 PWs) bands (ev): -16.8433 -16.8433 -16.7907 -16.7907 -16.7670 -16.7670 -16.7530 -16.7530 -3.6897 -3.6759 -3.6516 -3.6334 -3.6145 -3.5994 -3.4492 -3.4489 -1.9639 -1.9464 -1.9104 -1.8496 -1.7561 -1.7306 -1.6802 -1.6556 -1.6285 -1.5368 -1.5325 -1.5141 -1.4633 -1.3602 -1.3420 -1.3346 1.8458 1.8471 2.5691 2.6015 2.7469 2.7858 2.9722 2.9849 5.4789 5.5346 5.6297 5.7130 5.7829 5.8342 5.8626 5.9388 6.0009 6.1756 6.3420 6.3958 6.4357 6.5763 6.6315 6.6887 6.7412 6.7552 6.8405 6.8635 6.8902 6.9984 7.0764 7.1305 7.2847 7.4199 7.4353 7.6193 7.6377 7.6785 7.7753 7.8004 7.8128 7.8794 7.9527 7.9941 8.0119 8.0424 8.0633 8.1481 8.3511 8.4166 8.4885 8.5720 9.2315 9.3291 9.3322 9.3908 9.4131 9.4807 9.8323 9.9186 10.1193 10.2230 10.2549 10.2937 10.4977 10.6089 11.4672 11.5074 11.7445 11.7843 11.8145 11.9185 12.0846 12.1091 12.3396 12.4226 12.4683 12.5178 13.2807 13.3383 13.6418 13.7079 13.8340 13.9874 k = 0.2024 0.2024 0.2024 ( 9714 PWs) bands (ev): -16.8412 -16.8412 -16.7920 -16.7920 -16.7674 -16.7674 -16.7534 -16.7533 -3.6893 -3.6756 -3.6512 -3.6320 -3.6134 -3.5972 -3.4572 -3.4568 -1.9635 -1.9460 -1.9112 -1.8518 -1.7491 -1.7295 -1.6805 -1.6580 -1.6357 -1.5465 -1.5352 -1.5182 -1.4573 -1.3581 -1.3391 -1.3333 1.8897 1.8911 2.5611 2.5950 2.7417 2.7823 2.9677 2.9802 5.4892 5.5477 5.6373 5.7162 5.7914 5.8268 5.8607 5.9412 6.0040 6.1886 6.3239 6.3802 6.4313 6.5690 6.6268 6.6794 6.7457 6.7487 6.8378 6.8644 6.8895 7.0044 7.0789 7.1357 7.2693 7.4119 7.4226 7.6200 7.6224 7.6776 7.7803 7.7965 7.8138 7.8896 7.9457 7.9936 8.0066 8.0460 8.0571 8.1408 8.3404 8.4275 8.4755 8.5691 9.2214 9.2993 9.3042 9.3799 9.3827 9.4415 9.8546 9.9145 10.1196 10.2663 10.2812 10.3610 10.5284 10.6384 11.4569 11.4921 11.7385 11.7782 11.7946 11.9025 12.1156 12.1206 12.3794 12.4400 12.4952 12.5464 13.3142 13.3695 13.6314 13.6924 13.8423 14.0020 k = 0.2143 0.2143 0.2143 ( 9696 PWs) bands (ev): -16.8391 -16.8391 -16.7933 -16.7933 -16.7678 -16.7677 -16.7538 -16.7538 -3.6887 -3.6750 -3.6507 -3.6305 -3.6125 -3.5952 -3.4652 -3.4650 -1.9625 -1.9457 -1.9113 -1.8549 -1.7466 -1.7234 -1.6820 -1.6606 -1.6455 -1.5609 -1.5302 -1.5209 -1.4520 -1.3561 -1.3366 -1.3317 1.9339 1.9355 2.5542 2.5896 2.7370 2.7790 2.9617 2.9740 5.5010 5.5627 5.6454 5.7187 5.8012 5.8200 5.8592 5.9446 6.0074 6.2009 6.3063 6.3656 6.4265 6.5633 6.6220 6.6705 6.7410 6.7501 6.8349 6.8654 6.8891 7.0099 7.0809 7.1400 7.2537 7.4031 7.4094 7.6045 7.6201 7.6761 7.7840 7.7920 7.8146 7.8991 7.9374 7.9882 7.9993 8.0499 8.0556 8.1338 8.3280 8.4367 8.4631 8.5661 9.2090 9.2633 9.2688 9.3619 9.3757 9.3964 9.8846 9.9186 10.1197 10.2787 10.3377 10.4312 10.5612 10.6683 11.4478 11.4770 11.7307 11.7715 11.7783 11.8900 12.1101 12.1470 12.4345 12.4680 12.5228 12.5782 13.3378 13.3901 13.6186 13.6728 13.8504 14.0146 k = 0.2262 0.2262 0.2262 ( 9705 PWs) bands (ev): -16.8369 -16.8368 -16.7944 -16.7944 -16.7682 -16.7682 -16.7544 -16.7544 -3.6878 -3.6743 -3.6502 -3.6291 -3.6117 -3.5935 -3.4735 -3.4733 -1.9610 -1.9453 -1.9109 -1.8587 -1.7470 -1.7139 -1.6844 -1.6637 -1.6567 -1.5746 -1.5232 -1.5227 -1.4474 -1.3542 -1.3349 -1.3293 1.9784 1.9801 2.5486 2.5852 2.7327 2.7760 2.9544 2.9662 5.5140 5.5793 5.6540 5.7207 5.8123 5.8141 5.8582 5.9490 6.0113 6.2125 6.2889 6.3520 6.4209 6.5597 6.6171 6.6618 6.7324 6.7544 6.8318 6.8664 6.8890 7.0147 7.0824 7.1430 7.2382 7.3935 7.3959 7.5843 7.6198 7.6738 7.7861 7.7864 7.8152 7.9074 7.9284 7.9790 7.9906 8.0536 8.0576 8.1270 8.3144 8.4427 8.4512 8.5620 9.1944 9.2234 9.2257 9.3468 9.3611 9.3720 9.9197 9.9304 10.1215 10.2926 10.3920 10.5019 10.5953 10.6982 11.4398 11.4620 11.7212 11.7655 11.7660 11.8802 12.0966 12.1618 12.5005 12.5072 12.5508 12.6139 13.3461 13.3952 13.6041 13.6493 13.8618 14.0245 k = 0.2381 0.2381 0.2381 ( 9678 PWs) bands (ev): -16.8346 -16.8346 -16.7955 -16.7955 -16.7686 -16.7686 -16.7552 -16.7552 -3.6866 -3.6734 -3.6497 -3.6278 -3.6111 -3.5920 -3.4817 -3.4817 -1.9589 -1.9451 -1.9099 -1.8633 -1.7484 -1.7031 -1.6877 -1.6685 -1.6674 -1.5870 -1.5238 -1.5151 -1.4434 -1.3525 -1.3339 -1.3264 2.0228 2.0247 2.5440 2.5818 2.7289 2.7733 2.9459 2.9572 5.5281 5.5974 5.6631 5.7221 5.8090 5.8245 5.8577 5.9548 6.0158 6.2233 6.2718 6.3397 6.4144 6.5583 6.6120 6.6535 6.7230 6.7587 6.8287 6.8675 6.8891 7.0187 7.0834 7.1438 7.2240 7.3823 7.3832 7.5620 7.6190 7.6706 7.7795 7.7865 7.8155 7.9133 7.9195 7.9679 7.9816 8.0568 8.0607 8.1206 8.3003 8.4397 8.4446 8.5563 9.1757 9.1787 9.1808 9.2941 9.3747 9.3760 9.9491 9.9581 10.1258 10.3082 10.4432 10.5719 10.6301 10.7278 11.4328 11.4468 11.7103 11.7583 11.7614 11.8722 12.0779 12.1658 12.5538 12.5741 12.5790 12.6554 13.3364 13.3831 13.5870 13.6220 13.8778 14.0311 k = 0.2500 0.2500 0.2500 ( 9687 PWs) bands (ev): -16.8323 -16.8323 -16.7964 -16.7964 -16.7691 -16.7691 -16.7560 -16.7560 -3.6851 -3.6722 -3.6492 -3.6265 -3.6107 -3.5908 -3.4901 -3.4900 -1.9563 -1.9450 -1.9085 -1.8685 -1.7501 -1.6920 -1.6918 -1.6800 -1.6722 -1.5974 -1.5243 -1.5065 -1.4401 -1.3510 -1.3334 -1.3234 2.0670 2.0689 2.5406 2.5794 2.7255 2.7709 2.9364 2.9469 5.5428 5.6167 5.6726 5.7232 5.8051 5.8376 5.8576 5.9621 6.0210 6.2335 6.2551 6.3288 6.4068 6.5594 6.6067 6.6454 6.7129 6.7629 6.8255 6.8686 6.8894 7.0215 7.0838 7.1408 7.2124 7.3688 7.3724 7.5381 7.6178 7.6662 7.7708 7.7851 7.8153 7.9113 7.9150 7.9562 7.9745 8.0591 8.0633 8.1144 8.2866 8.4288 8.4421 8.5485 9.1302 9.1363 9.1506 9.2395 9.3917 9.4007 9.9736 9.9988 10.1328 10.3257 10.4909 10.6401 10.6649 10.7569 11.4263 11.4312 11.6979 11.7554 11.7599 11.8655 12.0554 12.1612 12.6011 12.6067 12.6530 12.7061 13.3103 13.3563 13.5654 13.5915 13.8962 14.0256 k = 0.2619 0.2619 0.2619 ( 9693 PWs) bands (ev): -16.8299 -16.8299 -16.7973 -16.7972 -16.7696 -16.7696 -16.7570 -16.7570 -3.6835 -3.6710 -3.6486 -3.6253 -3.6104 -3.5898 -3.4986 -3.4983 -1.9531 -1.9451 -1.9067 -1.8743 -1.7517 -1.6987 -1.6896 -1.6801 -1.6786 -1.6053 -1.5241 -1.4978 -1.4372 -1.3498 -1.3331 -1.3206 2.1106 2.1126 2.5383 2.5779 2.7226 2.7688 2.9261 2.9357 5.5581 5.6370 5.6824 5.7241 5.8023 5.8513 5.8579 5.9711 6.0271 6.2386 6.2430 6.3197 6.3985 6.5628 6.6013 6.6375 6.7023 6.7671 6.8224 6.8697 6.8898 7.0230 7.0836 7.1328 7.2049 7.3557 7.3610 7.5130 7.6164 7.6606 7.7600 7.7821 7.8146 7.9041 7.9100 7.9446 7.9716 8.0601 8.0639 8.1080 8.2743 8.4185 8.4353 8.5387 9.0816 9.0901 9.1188 9.1842 9.4208 9.4381 10.0029 10.0411 10.1427 10.3454 10.5343 10.6995 10.7056 10.7854 11.4151 11.4199 11.6841 11.7576 11.7615 11.8597 12.0300 12.1499 12.6335 12.6437 12.7354 12.7679 13.2722 13.3192 13.5383 13.5589 13.9134 13.9880 k = 0.2738 0.2738 0.2738 ( 9696 PWs) bands (ev): -16.8276 -16.8276 -16.7980 -16.7980 -16.7701 -16.7701 -16.7580 -16.7580 -3.6816 -3.6695 -3.6480 -3.6242 -3.6102 -3.5891 -3.5070 -3.5065 -1.9494 -1.9453 -1.9045 -1.8806 -1.7534 -1.7084 -1.6961 -1.6866 -1.6682 -1.6104 -1.5232 -1.4894 -1.4348 -1.3490 -1.3332 -1.3182 2.1535 2.1556 2.5371 2.5774 2.7202 2.7669 2.9150 2.9236 5.5737 5.6580 5.6924 5.7248 5.8009 5.8586 5.8654 5.9821 6.0343 6.2224 6.2515 6.3127 6.3895 6.5682 6.5957 6.6298 6.6915 6.7710 6.8195 6.8708 6.8903 7.0231 7.0826 7.1198 7.2017 7.3432 7.3494 7.4869 7.6146 7.6535 7.7471 7.7777 7.8130 7.8980 7.8986 7.9333 7.9731 8.0598 8.0618 8.1014 8.2642 8.4088 8.4251 8.5274 9.0338 9.0424 9.0815 9.1295 9.4627 9.4855 10.0363 10.0849 10.1557 10.3673 10.5730 10.7336 10.7676 10.8133 11.3987 11.4133 11.6688 11.7648 11.7656 11.8553 12.0024 12.1332 12.6585 12.6803 12.8196 12.8388 13.2267 13.2762 13.5064 13.5252 13.9279 13.9380 k = 0.2857 0.2857 0.2857 ( 9711 PWs) bands (ev): -16.8252 -16.8252 -16.7986 -16.7986 -16.7707 -16.7706 -16.7592 -16.7592 -3.6795 -3.6680 -3.6474 -3.6233 -3.6101 -3.5886 -3.5154 -3.5145 -1.9457 -1.9451 -1.9021 -1.8874 -1.7550 -1.7191 -1.7016 -1.6962 -1.6562 -1.6125 -1.5218 -1.4813 -1.4326 -1.3485 -1.3334 -1.3162 2.1955 2.1976 2.5369 2.5777 2.7182 2.7652 2.9033 2.9108 5.5892 5.6794 5.7025 5.7255 5.8008 5.8595 5.8795 5.9954 6.0425 6.2065 6.2589 6.3083 6.3803 6.5753 6.5899 6.6222 6.6807 6.7749 6.8167 6.8719 6.8908 7.0216 7.0809 7.1032 7.2014 7.3316 7.3377 7.4604 7.6123 7.6448 7.7319 7.7724 7.8104 7.8828 7.8931 7.9223 7.9770 8.0564 8.0578 8.0944 8.2570 8.3997 8.4124 8.5150 8.9874 8.9929 9.0401 9.0762 9.5161 9.5421 10.0732 10.1300 10.1717 10.3915 10.6069 10.7669 10.8252 10.8406 11.3822 11.4059 11.6521 11.7706 11.7763 11.8538 11.9733 12.1120 12.6803 12.7119 12.9038 12.9149 13.1779 13.2310 13.4721 13.4919 13.8864 13.9397 k = 0.2976 0.2976 0.2976 ( 9708 PWs) bands (ev): -16.8228 -16.8228 -16.7991 -16.7990 -16.7713 -16.7712 -16.7605 -16.7605 -3.6772 -3.6663 -3.6467 -3.6224 -3.6102 -3.5884 -3.5236 -3.5223 -1.9462 -1.9403 -1.8994 -1.8944 -1.7567 -1.7297 -1.7069 -1.7069 -1.6441 -1.6122 -1.5199 -1.4738 -1.4308 -1.3484 -1.3338 -1.3149 2.2365 2.2385 2.5377 2.5788 2.7165 2.7637 2.8912 2.8974 5.6045 5.7008 5.7127 5.7263 5.8021 5.8607 5.8934 6.0111 6.0518 6.1911 6.2647 6.3073 6.3710 6.5835 6.5838 6.6147 6.6704 6.7785 6.8143 6.8729 6.8912 7.0187 7.0783 7.0844 7.2027 7.3210 7.3259 7.4338 7.6094 7.6345 7.7145 7.7665 7.8069 7.8644 7.8892 7.9118 7.9815 8.0478 8.0541 8.0868 8.2529 8.3915 8.3982 8.5020 8.9419 8.9429 8.9959 9.0252 9.5791 9.6067 10.1131 10.1764 10.1907 10.4181 10.6360 10.7994 10.8674 10.8774 11.3659 11.3974 11.6340 11.7731 11.7905 11.8580 11.9440 12.0865 12.6975 12.7389 12.9858 12.9926 13.1286 13.1864 13.4382 13.4604 13.8362 13.8962 k = 0.3095 0.3095 0.3095 ( 9720 PWs) bands (ev): -16.8204 -16.8204 -16.7994 -16.7994 -16.7719 -16.7718 -16.7618 -16.7618 -3.6748 -3.6645 -3.6461 -3.6218 -3.6104 -3.5884 -3.5316 -3.5298 -1.9470 -1.9350 -1.9017 -1.8965 -1.7584 -1.7398 -1.7180 -1.7124 -1.6319 -1.6098 -1.5174 -1.4670 -1.4292 -1.3489 -1.3345 -1.3143 2.2762 2.2780 2.5395 2.5808 2.7151 2.7623 2.8788 2.8836 5.6193 5.7221 5.7228 5.7271 5.8048 5.8619 5.9069 6.0292 6.0621 6.1766 6.2686 6.3098 6.3622 6.5775 6.5918 6.6070 6.6616 6.7820 6.8122 6.8738 6.8914 7.0145 7.0645 7.0747 7.2048 7.3115 7.3143 7.4077 7.6059 7.6223 7.6949 7.7605 7.8024 7.8443 7.8861 7.9017 7.9856 8.0364 8.0487 8.0785 8.2518 8.3838 8.3840 8.4889 8.8897 8.9006 8.9500 8.9769 9.6503 9.6783 10.1557 10.2126 10.2242 10.4471 10.6606 10.8311 10.8935 10.9236 11.3504 11.3874 11.6142 11.7698 11.8029 11.8708 11.9187 12.0569 12.7082 12.7607 13.0598 13.0691 13.0811 13.1478 13.4076 13.4325 13.7885 13.8432 k = 0.3214 0.3214 0.3214 ( 9720 PWs) bands (ev): -16.8181 -16.8181 -16.7996 -16.7996 -16.7725 -16.7725 -16.7633 -16.7632 -3.6722 -3.6626 -3.6453 -3.6212 -3.6107 -3.5886 -3.5394 -3.5371 -1.9480 -1.9293 -1.9090 -1.8935 -1.7601 -1.7493 -1.7293 -1.7181 -1.6196 -1.6057 -1.5144 -1.4608 -1.4278 -1.3499 -1.3353 -1.3143 2.3146 2.3161 2.5423 2.5834 2.7140 2.7609 2.8662 2.8694 5.6336 5.7282 5.7329 5.7430 5.8090 5.8631 5.9196 6.0496 6.0725 6.1638 6.2714 6.3154 6.3540 6.5709 6.5980 6.5992 6.6563 6.7851 6.8105 6.8745 6.8915 7.0091 7.0442 7.0699 7.2073 7.3028 7.3032 7.3826 7.6013 7.6083 7.6734 7.7548 7.7972 7.8229 7.8836 7.8920 7.9889 8.0230 8.0415 8.0694 8.2530 8.3698 8.3774 8.4760 8.8371 8.8607 8.9033 8.9312 9.7282 9.7558 10.2009 10.2375 10.2731 10.4785 10.6814 10.8621 10.9190 10.9630 11.3361 11.3758 11.5929 11.7601 11.8026 11.8923 11.9077 12.0234 12.7104 12.7766 13.0370 13.0821 13.1416 13.1579 13.3834 13.4099 13.7442 13.7923 k = 0.3333 0.3333 0.3333 ( 9708 PWs) bands (ev): -16.8157 -16.8157 -16.7997 -16.7997 -16.7732 -16.7732 -16.7648 -16.7647 -3.6696 -3.6607 -3.6446 -3.6209 -3.6111 -3.5891 -3.5469 -3.5440 -1.9493 -1.9231 -1.9163 -1.8902 -1.7620 -1.7582 -1.7404 -1.7240 -1.6073 -1.6001 -1.5110 -1.4554 -1.4265 -1.3515 -1.3363 -1.3151 2.3514 2.3525 2.5459 2.5868 2.7130 2.7595 2.8534 2.8550 5.6473 5.7295 5.7429 5.7630 5.8144 5.8641 5.9314 6.0722 6.0812 6.1545 6.2742 6.3231 6.3468 6.5640 6.5913 6.5991 6.6575 6.7880 6.8093 6.8749 6.8913 7.0029 7.0239 7.0638 7.2100 7.2915 7.2960 7.3592 7.5923 7.5955 7.6501 7.7496 7.7913 7.8006 7.8815 7.8831 7.9910 8.0081 8.0328 8.0596 8.2560 8.3569 8.3717 8.4638 8.7850 8.8235 8.8563 8.8881 9.8115 9.8384 10.2484 10.2652 10.3233 10.5122 10.6991 10.8922 10.9436 10.9952 11.3232 11.3622 11.5701 11.7450 11.7812 11.9189 11.9208 11.9861 12.7030 12.7854 12.9967 13.0505 13.2068 13.2166 13.3678 13.3941 13.7040 13.7451 k = 0.3452 0.3452 0.3452 ( 9720 PWs) bands (ev): -16.8134 -16.8134 -16.7997 -16.7996 -16.7740 -16.7739 -16.7663 -16.7663 -3.6669 -3.6586 -3.6438 -3.6207 -3.6117 -3.5898 -3.5540 -3.5505 -1.9508 -1.9235 -1.9166 -1.8867 -1.7665 -1.7641 -1.7510 -1.7302 -1.5950 -1.5932 -1.5072 -1.4506 -1.4253 -1.3537 -1.3376 -1.3166 2.3867 2.3873 2.5503 2.5908 2.7121 2.7581 2.8405 2.8407 5.6602 5.7311 5.7529 5.7821 5.8208 5.8650 5.9421 6.0844 6.0968 6.1525 6.2777 6.3321 6.3410 6.5567 6.5830 6.5939 6.6662 6.7907 6.8086 6.8748 6.8909 6.9964 7.0039 7.0563 7.2129 7.2798 7.2899 7.3386 7.5746 7.5882 7.6252 7.7452 7.7772 7.7849 7.8750 7.8796 7.9917 7.9926 8.0228 8.0491 8.2604 8.3457 8.3669 8.4525 8.7344 8.7889 8.8096 8.8472 9.8989 9.9250 10.2956 10.2984 10.3747 10.5484 10.7144 10.9216 10.9675 11.0201 11.3120 11.3464 11.5457 11.7254 11.7461 11.9446 11.9451 11.9550 12.6859 12.7861 12.9601 13.0164 13.2605 13.2698 13.3623 13.3864 13.6688 13.7031 k = 0.3571 0.3571 0.3571 ( 9723 PWs) bands (ev): -16.8112 -16.8111 -16.7995 -16.7994 -16.7748 -16.7747 -16.7680 -16.7679 -3.6641 -3.6565 -3.6429 -3.6207 -3.6124 -3.5909 -3.5607 -3.5566 -1.9526 -1.9305 -1.9096 -1.8830 -1.7742 -1.7663 -1.7611 -1.7366 -1.5852 -1.5827 -1.5031 -1.4467 -1.4243 -1.3567 -1.3390 -1.3188 2.4202 2.4202 2.5555 2.5953 2.7112 2.7564 2.8259 2.8280 5.6726 5.7330 5.7630 5.8001 5.8281 5.8656 5.9512 6.0795 6.1230 6.1603 6.2825 6.3369 6.3418 6.5492 6.5745 6.5845 6.6800 6.7931 6.8085 6.8741 6.8902 6.9845 6.9901 7.0475 7.2160 7.2673 7.2846 7.3219 7.5552 7.5791 7.5989 7.7417 7.7527 7.7783 7.8679 7.8779 7.9769 7.9908 8.0118 8.0379 8.2657 8.3363 8.3630 8.4421 8.6861 8.7570 8.7638 8.8086 9.9891 10.0145 10.3287 10.3508 10.4270 10.5870 10.7280 10.9501 10.9905 11.0385 11.3019 11.3283 11.5200 11.7018 11.7048 11.9006 11.9773 11.9938 12.6607 12.7783 12.9262 12.9845 13.2970 13.3080 13.3672 13.3879 13.6393 13.6680 k = 0.3690 0.3690 0.3690 ( 9724 PWs) bands (ev): -16.8089 -16.8089 -16.7992 -16.7991 -16.7756 -16.7755 -16.7696 -16.7696 -3.6613 -3.6544 -3.6420 -3.6208 -3.6132 -3.5923 -3.5668 -3.5622 -1.9546 -1.9371 -1.9024 -1.8791 -1.7812 -1.7705 -1.7688 -1.7431 -1.5763 -1.5705 -1.4987 -1.4434 -1.4233 -1.3603 -1.3406 -1.3217 2.4512 2.4520 2.5614 2.6005 2.7102 2.7545 2.8114 2.8155 5.6843 5.7351 5.7732 5.8167 5.8360 5.8659 5.9585 6.0686 6.1505 6.1757 6.2886 6.3348 6.3520 6.5412 6.5655 6.5731 6.6969 6.7954 6.8088 6.8725 6.8892 6.9659 6.9844 7.0375 7.2195 7.2536 7.2800 7.3098 7.5345 7.5681 7.5718 7.7269 7.7392 7.7716 7.8620 7.8764 7.9615 7.9882 8.0002 8.0262 8.2719 8.3288 8.3601 8.4329 8.6408 8.7191 8.7275 8.7721 10.0804 10.1056 10.3645 10.4059 10.4799 10.6279 10.7406 10.9775 11.0127 11.0513 11.2926 11.3077 11.4932 11.6604 11.6746 11.8529 12.0138 12.0366 12.6293 12.7626 12.8942 12.9554 13.3093 13.3243 13.3814 13.3987 13.6161 13.6415 k = 0.3810 0.3810 0.3810 ( 9718 PWs) bands (ev): -16.8067 -16.8067 -16.7987 -16.7987 -16.7764 -16.7764 -16.7713 -16.7713 -3.6585 -3.6522 -3.6411 -3.6212 -3.6141 -3.5943 -3.5721 -3.5674 -1.9567 -1.9434 -1.8950 -1.8749 -1.7877 -1.7792 -1.7715 -1.7498 -1.5665 -1.5583 -1.4941 -1.4409 -1.4226 -1.3648 -1.3423 -1.3253 2.4802 2.4819 2.5681 2.6061 2.7090 2.7523 2.7969 2.8031 5.6955 5.7375 5.7836 5.8320 5.8443 5.8659 5.9637 6.0547 6.1791 6.1953 6.2962 6.3350 6.3625 6.5329 6.5562 6.5605 6.7155 6.7976 6.8097 6.8700 6.8878 6.9484 6.9797 7.0266 7.2235 7.2394 7.2761 7.3022 7.5127 7.5439 7.5549 7.6995 7.7376 7.7651 7.8574 7.8751 7.9469 7.9836 7.9885 8.0141 8.2786 8.3233 8.3580 8.4248 8.5992 8.6759 8.7004 8.7379 10.1712 10.1970 10.4031 10.4639 10.5330 10.6713 10.7529 11.0034 11.0341 11.0601 11.2833 11.2850 11.4659 11.6141 11.6439 11.8024 12.0528 12.0828 12.5941 12.7400 12.8637 12.9285 13.2940 13.3125 13.4033 13.4164 13.5996 13.6231 k = 0.3929 0.3929 0.3929 ( 9700 PWs) bands (ev): -16.8046 -16.8046 -16.7982 -16.7981 -16.7774 -16.7773 -16.7731 -16.7730 -3.6557 -3.6500 -3.6401 -3.6216 -3.6152 -3.5968 -3.5766 -3.5720 -1.9590 -1.9491 -1.8873 -1.8704 -1.7935 -1.7870 -1.7746 -1.7567 -1.5560 -1.5461 -1.4894 -1.4391 -1.4220 -1.3700 -1.3441 -1.3293 2.5073 2.5099 2.5754 2.6121 2.7076 2.7497 2.7825 2.7910 5.7062 5.7402 5.7943 5.8458 5.8526 5.8659 5.9665 6.0394 6.2082 6.2173 6.3052 6.3374 6.3731 6.5241 6.5463 6.5473 6.7351 6.8000 6.8110 6.8667 6.8861 6.9319 6.9760 7.0153 7.2258 7.2283 7.2728 7.2981 7.4904 7.5157 7.5394 7.6703 7.7367 7.7590 7.8543 7.8741 7.9334 7.9768 7.9770 8.0020 8.2860 8.3197 8.3567 8.4177 8.5617 8.6347 8.6755 8.7059 10.2595 10.2866 10.4448 10.5250 10.5856 10.7172 10.7655 11.0274 11.0544 11.0665 11.2606 11.2737 11.4385 11.5670 11.6100 11.7495 12.0938 12.1319 12.5571 12.7124 12.8343 12.9031 13.2524 13.2709 13.4311 13.4390 13.5901 13.6102 k = 0.4048 0.4048 0.4048 ( 9703 PWs) bands (ev): -16.8025 -16.8025 -16.7975 -16.7975 -16.7783 -16.7783 -16.7748 -16.7748 -3.6529 -3.6477 -3.6391 -3.6222 -3.6164 -3.5999 -3.5802 -3.5761 -1.9614 -1.9544 -1.8795 -1.8657 -1.7988 -1.7939 -1.7780 -1.7636 -1.5449 -1.5341 -1.4846 -1.4379 -1.4218 -1.3760 -1.3461 -1.3337 2.5323 2.5361 2.5833 2.6185 2.7057 2.7467 2.7684 2.7791 5.7164 5.7431 5.8053 5.8582 5.8609 5.8658 5.9668 6.0234 6.2376 6.2407 6.3154 6.3420 6.3834 6.5149 6.5335 6.5359 6.7547 6.8027 6.8128 6.8627 6.8838 6.9168 6.9732 7.0043 7.2144 7.2342 7.2699 7.2968 7.4680 7.4876 7.5219 7.6389 7.7363 7.7535 7.8527 7.8735 7.9215 7.9655 7.9685 7.9900 8.2939 8.3180 8.3564 8.4115 8.5285 8.5956 8.6528 8.6764 10.3434 10.3719 10.4902 10.5891 10.6364 10.7658 10.7792 11.0485 11.0719 11.0730 11.2359 11.2638 11.4121 11.5196 11.5731 11.6945 12.1362 12.1832 12.5203 12.6816 12.8059 12.8783 13.1901 13.2050 13.4632 13.4657 13.5877 13.6018 k = 0.4167 0.4167 0.4167 ( 9703 PWs) bands (ev): -16.8005 -16.8005 -16.7967 -16.7967 -16.7794 -16.7793 -16.7766 -16.7765 -3.6501 -3.6455 -3.6380 -3.6229 -3.6177 -3.6036 -3.5829 -3.5796 -1.9638 -1.9590 -1.8716 -1.8607 -1.8035 -1.8000 -1.7818 -1.7706 -1.5334 -1.5222 -1.4797 -1.4374 -1.4220 -1.3828 -1.3481 -1.3383 2.5553 2.5602 2.5918 2.6252 2.7034 2.7431 2.7544 2.7676 5.7261 5.7461 5.8167 5.8660 5.8689 5.8691 5.9646 6.0070 6.2649 6.2666 6.3266 6.3487 6.3935 6.5052 6.5194 6.5248 6.7737 6.8059 6.8150 6.8582 6.8806 6.9030 6.9711 6.9940 7.2064 7.2413 7.2677 7.2974 7.4462 7.4601 7.5023 7.6054 7.7363 7.7488 7.8527 7.8735 7.9113 7.9547 7.9585 7.9782 8.3023 8.3182 8.3568 8.4061 8.4996 8.5588 8.6321 8.6496 10.4214 10.4495 10.5407 10.6549 10.6833 10.7955 10.8175 11.0662 11.0776 11.0882 11.2134 11.2540 11.3876 11.4725 11.5336 11.6379 12.1798 12.2361 12.4858 12.6501 12.7779 12.8531 13.1141 13.1233 13.4956 13.4981 13.5921 13.5989 k = 0.4286 0.4286 0.4286 ( 9703 PWs) bands (ev): -16.7986 -16.7985 -16.7958 -16.7958 -16.7805 -16.7804 -16.7783 -16.7783 -3.6473 -3.6432 -3.6369 -3.6238 -3.6191 -3.6076 -3.5850 -3.5826 -1.9661 -1.9631 -1.8637 -1.8555 -1.8076 -1.8052 -1.7859 -1.7776 -1.5216 -1.5106 -1.4749 -1.4375 -1.4227 -1.3903 -1.3501 -1.3430 2.5764 2.5824 2.6008 2.6322 2.7005 2.7389 2.7406 2.7565 5.7350 5.7492 5.8284 5.8667 5.8763 5.8784 5.9602 5.9905 6.2894 6.2948 6.3386 6.3572 6.4028 6.4949 6.5050 6.5130 6.7913 6.8097 6.8176 6.8538 6.8764 6.8906 6.9690 6.9849 7.2033 7.2500 7.2663 7.2996 7.4255 7.4334 7.4810 7.5696 7.7364 7.7448 7.8544 7.8742 7.9030 7.9445 7.9477 7.9666 8.3114 8.3203 8.3581 8.4012 8.4746 8.5247 8.6136 8.6256 10.4927 10.5164 10.5964 10.7190 10.7232 10.8159 10.8731 11.0799 11.0847 11.0971 11.1975 11.2451 11.3659 11.4264 11.4916 11.5800 12.2239 12.2897 12.4559 12.6201 12.7498 12.8265 13.0309 13.0337 13.5278 13.5350 13.6024 13.6029 k = 0.4405 0.4405 0.4405 ( 9715 PWs) bands (ev): -16.7967 -16.7966 -16.7948 -16.7947 -16.7816 -16.7815 -16.7801 -16.7800 -3.6446 -3.6409 -3.6358 -3.6247 -3.6207 -3.6117 -3.5866 -3.5851 -1.9683 -1.9665 -1.8558 -1.8500 -1.8111 -1.8095 -1.7904 -1.7847 -1.5095 -1.4992 -1.4702 -1.4382 -1.4243 -1.3986 -1.3520 -1.3473 2.5955 2.6026 2.6103 2.6394 2.6968 2.7272 2.7341 2.7457 5.7431 5.7522 5.8403 5.8684 5.8831 5.8862 5.9537 5.9742 6.3136 6.3216 6.3512 6.3670 6.4110 6.4840 6.4905 6.5005 6.8067 6.8143 6.8206 6.8496 6.8710 6.8795 6.9668 6.9769 7.2062 7.2605 7.2660 7.3030 7.4063 7.4081 7.4585 7.5319 7.7365 7.7417 7.8577 7.8757 7.8969 7.9349 7.9368 7.9548 8.3210 8.3244 8.3600 8.3969 8.4532 8.4932 8.5972 8.6048 10.5577 10.5736 10.6536 10.7530 10.7762 10.8401 10.9330 11.0910 11.0939 11.0972 11.1930 11.2381 11.3472 11.3819 11.4477 11.5215 12.2681 12.3422 12.4339 12.5941 12.7213 12.7976 12.9417 12.9455 13.5615 13.5729 13.6122 13.6195 k = 0.4524 0.4524 0.4524 ( 9721 PWs) bands (ev): -16.7948 -16.7948 -16.7937 -16.7936 -16.7828 -16.7827 -16.7818 -16.7818 -3.6418 -3.6387 -3.6346 -3.6256 -3.6224 -3.6157 -3.5879 -3.5871 -1.9702 -1.9693 -1.8481 -1.8442 -1.8140 -1.8130 -1.7954 -1.7917 -1.4973 -1.4882 -1.4656 -1.4395 -1.4268 -1.4076 -1.3539 -1.3512 2.6127 2.6202 2.6206 2.6465 2.6924 2.7140 2.7287 2.7356 5.7501 5.7552 5.8525 5.8714 5.8891 5.8925 5.9455 5.9582 6.3373 6.3464 6.3642 6.3779 6.4176 6.4727 6.4761 6.4870 6.8194 6.8196 6.8239 6.8461 6.8648 6.8697 6.9642 6.9700 7.2161 7.2671 7.2729 7.3073 7.3848 7.3892 7.4350 7.4926 7.7366 7.7393 7.8626 7.8780 7.8928 7.9260 7.9263 7.9428 8.3305 8.3311 8.3627 8.3928 8.4346 8.4644 8.5831 8.5873 10.6171 10.6250 10.7054 10.7737 10.8198 10.8620 10.9964 11.0945 11.1032 11.1058 11.1987 11.2336 11.3307 11.3396 11.4022 11.4625 12.3114 12.3856 12.4295 12.5747 12.6922 12.7656 12.8522 12.8619 13.5959 13.6112 13.6278 13.6411 k = 0.4643 0.4643 0.4643 ( 9715 PWs) bands (ev): -16.7931 -16.7931 -16.7924 -16.7924 -16.7841 -16.7840 -16.7835 -16.7834 -3.6390 -3.6364 -3.6335 -3.6267 -3.6241 -3.6195 -3.5889 -3.5885 -1.9718 -1.9714 -1.8405 -1.8382 -1.8162 -1.8157 -1.8007 -1.7987 -1.4851 -1.4775 -1.4611 -1.4413 -1.4306 -1.4172 -1.3555 -1.3543 2.6281 2.6306 2.6365 2.6534 2.6871 2.7011 2.7228 2.7262 5.7555 5.7579 5.8649 5.8761 5.8941 5.8972 5.9359 5.9427 6.3602 6.3685 6.3775 6.3893 6.4222 6.4607 6.4616 6.4725 6.8253 6.8276 6.8292 6.8435 6.8583 6.8611 6.9611 6.9639 7.2328 7.2700 7.2874 7.3123 7.3644 7.3741 7.4112 7.4526 7.7365 7.7377 7.8690 7.8813 7.8908 7.9168 7.9176 7.9308 8.3387 8.3419 8.3658 8.3888 8.4183 8.4385 8.5716 8.5735 10.6713 10.6732 10.7471 10.7881 10.8440 10.8710 11.0606 11.1007 11.1208 11.1226 11.2088 11.2320 11.3003 11.3140 11.3557 11.4037 12.3524 12.3988 12.4644 12.5646 12.6630 12.7291 12.7703 12.7839 13.6303 13.6480 13.6494 13.6666 k = 0.4762 0.4762 0.4762 ( 9733 PWs) bands (ev): -16.7914 -16.7914 -16.7911 -16.7911 -16.7854 -16.7853 -16.7851 -16.7851 -3.6361 -3.6342 -3.6323 -3.6277 -3.6260 -3.6232 -3.5896 -3.5895 -1.9730 -1.9729 -1.8331 -1.8320 -1.8179 -1.8176 -1.8065 -1.8056 -1.4730 -1.4675 -1.4570 -1.4436 -1.4356 -1.4275 -1.3568 -1.3564 2.6415 2.6418 2.6497 2.6595 2.6808 2.6885 2.7169 2.7181 5.7594 5.7601 5.8774 5.8827 5.8980 5.9003 5.9253 5.9280 6.3820 6.3879 6.3909 6.4006 6.4241 6.4474 6.4482 6.4569 6.8310 6.8316 6.8360 6.8420 6.8519 6.8536 6.9580 6.9589 7.2547 7.2748 7.3039 7.3176 7.3484 7.3612 7.3876 7.4129 7.7363 7.7367 7.8769 7.8855 7.8907 7.9085 7.9099 7.9189 8.3492 8.3531 8.3694 8.3850 8.4036 8.4153 8.5630 8.5636 10.7191 10.7207 10.7766 10.7978 10.8468 10.8615 11.1218 11.1218 11.1384 11.1534 11.2187 11.2324 11.2653 11.2939 11.3091 11.3455 12.3885 12.4062 12.5138 12.5662 12.6357 12.6836 12.7053 12.7143 13.6638 13.6716 13.6867 13.6949 k = 0.4881 0.4881 0.4881 ( 9772 PWs) bands (ev): -16.7898 -16.7898 -16.7897 -16.7897 -16.7868 -16.7867 -16.7867 -16.7867 -3.6331 -3.6321 -3.6311 -3.6288 -3.6280 -3.6267 -3.5901 -3.5900 -1.9738 -1.9738 -1.8260 -1.8257 -1.8188 -1.8187 -1.8126 -1.8124 -1.4611 -1.4581 -1.4531 -1.4463 -1.4420 -1.4383 -1.3577 -1.3577 2.6527 2.6538 2.6594 2.6638 2.6732 2.6762 2.7120 2.7122 5.7615 5.7616 5.8898 5.8914 5.9007 5.9019 5.9139 5.9143 6.4026 6.4042 6.4042 6.4109 6.4230 6.4335 6.4352 6.4400 6.8362 6.8363 6.8398 6.8415 6.8463 6.8470 6.9555 6.9556 7.2762 7.2807 7.3225 7.3245 7.3406 7.3506 7.3646 7.3750 7.7361 7.7362 7.8860 7.8905 7.8926 7.9016 7.9027 7.9073 8.3619 8.3649 8.3732 8.3811 8.3900 8.3949 8.5576 8.5577 10.7626 10.7649 10.7945 10.8030 10.8312 10.8368 11.1518 11.1574 11.1783 11.1930 11.2260 11.2329 11.2380 11.2648 11.2674 11.2884 12.4150 12.4178 12.5635 12.5814 12.6150 12.6361 12.6562 12.6576 13.6942 13.6959 13.7224 13.7250 k = 0.5000 0.5000 0.5000 ( 9808 PWs) bands (ev): -16.7883 -16.7883 -16.7883 -16.7883 -16.7883 -16.7883 -16.7882 -16.7882 -3.6300 -3.6300 -3.6300 -3.6300 -3.6300 -3.6300 -3.5902 -3.5902 -1.9741 -1.9741 -1.8191 -1.8191 -1.8191 -1.8191 -1.8191 -1.8191 -1.4495 -1.4495 -1.4495 -1.4495 -1.4495 -1.4495 -1.3581 -1.3581 2.6642 2.6642 2.6642 2.6642 2.6642 2.6642 2.7099 2.7099 5.7622 5.7622 5.9020 5.9020 5.9020 5.9020 5.9020 5.9020 6.4137 6.4137 6.4220 6.4220 6.4220 6.4220 6.4220 6.4220 6.8412 6.8412 6.8412 6.8412 6.8412 6.8412 6.9545 6.9545 7.2845 7.2845 7.3428 7.3428 7.3428 7.3428 7.3428 7.3428 7.7360 7.7360 7.8962 7.8962 7.8962 7.8962 7.8962 7.8962 8.3771 8.3771 8.3771 8.3771 8.3771 8.3771 8.5557 8.5557 10.8025 10.8025 10.8025 10.8025 10.8025 10.8025 11.1694 11.1694 11.2320 11.2320 11.2320 11.2320 11.2320 11.2320 11.2341 11.2341 12.4247 12.4247 12.6115 12.6115 12.6115 12.6115 12.6115 12.6115 13.7106 13.7106 13.7556 13.7556 k = 0.5000 0.5000 0.5000 ( 9808 PWs) bands (ev): -16.7883 -16.7883 -16.7883 -16.7883 -16.7883 -16.7883 -16.7882 -16.7882 -3.6300 -3.6300 -3.6300 -3.6300 -3.6300 -3.6300 -3.5902 -3.5902 -1.9741 -1.9741 -1.8191 -1.8191 -1.8191 -1.8191 -1.8191 -1.8191 -1.4495 -1.4495 -1.4495 -1.4495 -1.4495 -1.4495 -1.3581 -1.3581 2.6642 2.6642 2.6642 2.6642 2.6642 2.6642 2.7099 2.7099 5.7622 5.7622 5.9020 5.9020 5.9020 5.9020 5.9020 5.9020 6.4137 6.4137 6.4220 6.4220 6.4220 6.4220 6.4220 6.4220 6.8412 6.8412 6.8412 6.8412 6.8412 6.8412 6.9545 6.9545 7.2845 7.2845 7.3428 7.3428 7.3428 7.3428 7.3428 7.3428 7.7360 7.7360 7.8962 7.8962 7.8962 7.8962 7.8962 7.8962 8.3771 8.3771 8.3771 8.3771 8.3771 8.3771 8.5557 8.5557 10.8025 10.8025 10.8025 10.8025 10.8025 10.8025 11.1694 11.1694 11.2320 11.2320 11.2320 11.2320 11.2320 11.2320 11.2341 11.2341 12.4247 12.4247 12.6115 12.6115 12.6115 12.6115 12.6115 12.6115 13.7106 13.7106 13.7556 13.7556 k = 0.4853 0.5000 0.4853 ( 9768 PWs) bands (ev): -16.7898 -16.7898 -16.7897 -16.7897 -16.7867 -16.7867 -16.7867 -16.7867 -3.6328 -3.6328 -3.6300 -3.6300 -3.6271 -3.6271 -3.5900 -3.5900 -1.9738 -1.9738 -1.8258 -1.8258 -1.8189 -1.8189 -1.8124 -1.8124 -1.4600 -1.4600 -1.4499 -1.4499 -1.4395 -1.4395 -1.3577 -1.3577 2.6530 2.6530 2.6614 2.6614 2.6750 2.6750 2.7121 2.7121 5.7616 5.7616 5.8903 5.8903 5.9017 5.9017 5.9141 5.9141 6.4029 6.4029 6.4073 6.4073 6.4279 6.4279 6.4387 6.4387 6.8362 6.8362 6.8406 6.8406 6.8467 6.8467 6.9556 6.9556 7.2784 7.2784 7.3225 7.3225 7.3458 7.3458 7.3707 7.3707 7.7362 7.7362 7.8875 7.8875 7.8968 7.8968 7.9061 7.9061 8.3629 8.3629 8.3771 8.3771 8.3930 8.3930 8.5577 8.5577 10.7633 10.7633 10.7984 10.7984 10.8346 10.8346 11.1527 11.1527 11.1877 11.1877 11.2277 11.2277 11.2479 11.2479 11.2830 11.2830 12.4163 12.4163 12.5708 12.5708 12.6269 12.6269 12.6576 12.6576 13.6948 13.6948 13.7234 13.7234 k = 0.4706 0.5000 0.4706 ( 9736 PWs) bands (ev): -16.7913 -16.7913 -16.7913 -16.7913 -16.7852 -16.7852 -16.7852 -16.7852 -3.6355 -3.6355 -3.6302 -3.6302 -3.6241 -3.6241 -3.5895 -3.5895 -1.9729 -1.9729 -1.8325 -1.8325 -1.8181 -1.8181 -1.8057 -1.8057 -1.4710 -1.4710 -1.4510 -1.4510 -1.4301 -1.4301 -1.3566 -1.3566 2.6413 2.6413 2.6542 2.6542 2.6852 2.6852 2.7176 2.7176 5.7597 5.7597 5.8789 5.8789 5.9005 5.9005 5.9263 5.9263 6.3844 6.3844 6.3948 6.3948 6.4345 6.4345 6.4551 6.4551 6.8311 6.8311 6.8391 6.8391 6.8529 6.8529 6.9585 6.9585 7.2630 7.2630 7.3115 7.3115 7.3537 7.3537 7.4026 7.4026 7.7365 7.7365 7.8799 7.8799 7.8985 7.8985 7.9168 7.9168 8.3502 8.3502 8.3769 8.3769 8.4107 8.4107 8.5634 8.5634 10.7190 10.7190 10.7857 10.7857 10.8561 10.8561 11.1162 11.1162 11.1501 11.1501 11.2278 11.2278 11.2706 11.2706 11.3350 11.3350 12.3974 12.3974 12.5354 12.5354 12.6661 12.6661 12.7089 12.7089 13.6668 13.6668 13.6901 13.6901 k = 0.4559 0.5000 0.4559 ( 9712 PWs) bands (ev): -16.7928 -16.7928 -16.7928 -16.7928 -16.7837 -16.7837 -16.7837 -16.7837 -3.6381 -3.6381 -3.6306 -3.6306 -3.6210 -3.6210 -3.5887 -3.5887 -1.9716 -1.9716 -1.8392 -1.8392 -1.8167 -1.8167 -1.7991 -1.7991 -1.4823 -1.4823 -1.4528 -1.4528 -1.4215 -1.4215 -1.3548 -1.3548 2.6289 2.6289 2.6441 2.6441 2.6951 2.6951 2.7246 2.7246 5.7566 5.7566 5.8681 5.8681 5.8987 5.8987 5.9386 5.9386 6.3641 6.3641 6.3816 6.3816 6.4390 6.4390 6.4711 6.4711 6.8253 6.8253 6.8376 6.8376 6.8598 6.8598 6.9626 6.9626 7.2455 7.2455 7.3062 7.3062 7.3648 7.3648 7.4365 7.4365 7.7371 7.7371 7.8738 7.8738 7.9013 7.9013 7.9283 7.9283 8.3390 8.3390 8.3769 8.3769 8.4304 8.4304 8.5729 8.5729 10.6708 10.6708 10.7635 10.7635 10.8623 10.8623 11.0741 11.0741 11.1211 11.1211 11.2292 11.2292 11.2959 11.2959 11.3875 11.3875 12.3768 12.3768 12.5049 12.5049 12.7190 12.7190 12.7648 12.7648 13.6370 13.6370 13.6566 13.6566 k = 0.4412 0.5000 0.4412 ( 9728 PWs) bands (ev): -16.7943 -16.7943 -16.7943 -16.7943 -16.7822 -16.7822 -16.7822 -16.7822 -3.6406 -3.6406 -3.6310 -3.6310 -3.6178 -3.6178 -3.5875 -3.5875 -1.9696 -1.9696 -1.8458 -1.8458 -1.8149 -1.8149 -1.7925 -1.7925 -1.4939 -1.4939 -1.4552 -1.4552 -1.4136 -1.4136 -1.3524 -1.3524 2.6159 2.6159 2.6323 2.6323 2.7047 2.7047 2.7322 2.7322 5.7525 5.7525 5.8577 5.8577 5.8960 5.8960 5.9507 5.9507 6.3423 6.3423 6.3682 6.3682 6.4415 6.4415 6.4867 6.4867 6.8188 6.8188 6.8364 6.8364 6.8673 6.8673 6.9671 6.9671 7.2304 7.2304 7.3040 7.3040 7.3779 7.3779 7.4710 7.4710 7.7381 7.7381 7.8691 7.8691 7.9051 7.9051 7.9403 7.9403 8.3291 8.3291 8.3770 8.3770 8.4523 8.4523 8.5858 8.5858 10.6192 10.6192 10.7310 10.7310 10.8497 10.8497 11.0294 11.0294 11.1048 11.1048 11.2319 11.2319 11.3242 11.3242 11.4398 11.4398 12.3588 12.3588 12.4789 12.4789 12.7790 12.7790 12.8241 12.8241 13.6079 13.6079 13.6239 13.6239 k = 0.4265 0.5000 0.4265 ( 9724 PWs) bands (ev): -16.7958 -16.7958 -16.7958 -16.7958 -16.7808 -16.7808 -16.7807 -16.7807 -3.6430 -3.6430 -3.6316 -3.6316 -3.6144 -3.6144 -3.5860 -3.5860 -1.9672 -1.9672 -1.8523 -1.8523 -1.8125 -1.8125 -1.7859 -1.7859 -1.5057 -1.5057 -1.4581 -1.4581 -1.4067 -1.4067 -1.3495 -1.3495 2.6021 2.6021 2.6193 2.6193 2.7140 2.7140 2.7400 2.7400 5.7474 5.7474 5.8477 5.8477 5.8924 5.8924 5.9625 5.9625 6.3192 6.3192 6.3549 6.3549 6.4422 6.4422 6.5020 6.5020 6.8118 6.8118 6.8355 6.8355 6.8752 6.8752 6.9718 6.9718 7.2192 7.2192 7.3042 7.3042 7.3925 7.3925 7.5052 7.5052 7.7394 7.7394 7.8661 7.8661 7.9099 7.9099 7.9527 7.9527 8.3206 8.3206 8.3777 8.3777 8.4765 8.4765 8.6020 8.6020 10.5644 10.5644 10.6876 10.6876 10.8207 10.8207 10.9821 10.9821 11.1020 11.1020 11.2361 11.2361 11.3557 11.3557 11.4912 11.4912 12.3445 12.3445 12.4573 12.4573 12.8424 12.8424 12.8848 12.8848 13.5806 13.5806 13.5929 13.5929 k = 0.4118 0.5000 0.4118 ( 9720 PWs) bands (ev): -16.7973 -16.7973 -16.7972 -16.7972 -16.7793 -16.7793 -16.7792 -16.7792 -3.6454 -3.6454 -3.6322 -3.6322 -3.6110 -3.6110 -3.5842 -3.5842 -1.9644 -1.9644 -1.8587 -1.8587 -1.8096 -1.8096 -1.7793 -1.7793 -1.5176 -1.5176 -1.4613 -1.4613 -1.4007 -1.4007 -1.3460 -1.3460 2.5877 2.5877 2.6051 2.6051 2.7231 2.7231 2.7478 2.7478 5.7414 5.7414 5.8381 5.8381 5.8880 5.8880 5.9736 5.9736 6.2953 6.2953 6.3420 6.3420 6.4415 6.4415 6.5168 6.5168 6.8045 6.8045 6.8347 6.8347 6.8834 6.8834 6.9767 6.9767 7.2125 7.2125 7.3065 7.3065 7.4080 7.4080 7.5385 7.5385 7.7413 7.7413 7.8646 7.8646 7.9156 7.9156 7.9654 7.9654 8.3133 8.3133 8.3790 8.3790 8.5033 8.5033 8.6212 8.6212 10.5063 10.5063 10.6339 10.6339 10.7814 10.7814 10.9332 10.9332 11.1081 11.1081 11.2425 11.2425 11.3904 11.3904 11.5413 11.5413 12.3343 12.3343 12.4400 12.4400 12.9060 12.9060 12.9443 12.9443 13.5558 13.5558 13.5650 13.5650 k = 0.3971 0.5000 0.3971 ( 9720 PWs) bands (ev): -16.7988 -16.7988 -16.7987 -16.7987 -16.7778 -16.7778 -16.7778 -16.7778 -3.6476 -3.6476 -3.6330 -3.6330 -3.6075 -3.6075 -3.5820 -3.5820 -1.9611 -1.9611 -1.8650 -1.8650 -1.8062 -1.8062 -1.7728 -1.7728 -1.5296 -1.5296 -1.4649 -1.4649 -1.3956 -1.3956 -1.3422 -1.3422 2.5725 2.5725 2.5901 2.5901 2.7320 2.7320 2.7555 2.7555 5.7348 5.7348 5.8287 5.8287 5.8825 5.8825 5.9840 5.9840 6.2712 6.2712 6.3298 6.3298 6.4398 6.4398 6.5311 6.5311 6.7970 6.7970 6.8337 6.8337 6.8919 6.8919 6.9819 6.9819 7.2100 7.2100 7.3107 7.3107 7.4240 7.4240 7.5701 7.5701 7.7438 7.7438 7.8647 7.8647 7.9221 7.9221 7.9783 7.9783 8.3074 8.3074 8.3812 8.3812 8.5327 8.5327 8.6431 8.6431 10.4449 10.4449 10.5717 10.5717 10.7368 10.7368 10.8841 10.8841 11.1188 11.1188 11.2511 11.2511 11.4272 11.4272 11.5892 11.5892 12.3280 12.3280 12.4270 12.4270 12.9668 12.9668 12.9997 12.9997 13.5336 13.5336 13.5430 13.5430 k = 0.3824 0.5000 0.3824 ( 9724 PWs) bands (ev): -16.8002 -16.8002 -16.8002 -16.8002 -16.7764 -16.7764 -16.7763 -16.7763 -3.6499 -3.6499 -3.6339 -3.6339 -3.6038 -3.6038 -3.5796 -3.5796 -1.9576 -1.9576 -1.8710 -1.8710 -1.8024 -1.8024 -1.7663 -1.7663 -1.5415 -1.5415 -1.4687 -1.4687 -1.3916 -1.3916 -1.3382 -1.3382 2.5566 2.5566 2.5741 2.5741 2.7409 2.7409 2.7632 2.7632 5.7275 5.7275 5.8195 5.8195 5.8762 5.8762 5.9934 5.9934 6.2472 6.2472 6.3186 6.3186 6.4373 6.4373 6.5449 6.5449 6.7895 6.7895 6.8324 6.8324 6.9005 6.9005 6.9879 6.9879 7.2112 7.2112 7.3164 7.3164 7.4402 7.4402 7.5995 7.5995 7.7471 7.7471 7.8660 7.8660 7.9292 7.9292 7.9911 7.9911 8.3029 8.3029 8.3845 8.3845 8.5649 8.5649 8.6674 8.6674 10.3802 10.3802 10.5034 10.5034 10.6897 10.6897 10.8354 10.8354 11.1318 11.1318 11.2618 11.2618 11.4651 11.4651 11.6344 11.6344 12.3256 12.3256 12.4185 12.4185 13.0209 13.0209 13.0478 13.0478 13.5145 13.5145 13.5296 13.5296 k = 0.3676 0.5000 0.3676 ( 9730 PWs) bands (ev): -16.8016 -16.8016 -16.8016 -16.8016 -16.7750 -16.7750 -16.7749 -16.7749 -3.6521 -3.6521 -3.6349 -3.6349 -3.6001 -3.6001 -3.5769 -3.5769 -1.9538 -1.9538 -1.8767 -1.8767 -1.7980 -1.7980 -1.7599 -1.7599 -1.5533 -1.5533 -1.4727 -1.4727 -1.3884 -1.3884 -1.3341 -1.3341 2.5399 2.5399 2.5573 2.5573 2.7496 2.7496 2.7708 2.7708 5.7198 5.7198 5.8103 5.8103 5.8689 5.8689 6.0015 6.0015 6.2238 6.2238 6.3085 6.3085 6.4345 6.4345 6.5580 6.5580 6.7820 6.7820 6.8308 6.8308 6.9092 6.9092 6.9946 6.9946 7.2156 7.2156 7.3236 7.3236 7.4563 7.4563 7.6264 7.6264 7.7515 7.7515 7.8685 7.8685 7.9370 7.9370 8.0039 8.0039 8.2999 8.2999 8.3889 8.3889 8.5997 8.5997 8.6940 8.6940 10.3126 10.3126 10.4311 10.4311 10.6419 10.6419 10.7877 10.7877 11.1461 11.1461 11.2743 11.2743 11.5027 11.5027 11.6761 11.6761 12.3270 12.3270 12.4150 12.4150 13.0624 13.0624 13.0874 13.0874 13.5011 13.5011 13.5253 13.5253 k = 0.3529 0.5000 0.3529 ( 9710 PWs) bands (ev): -16.8031 -16.8031 -16.8030 -16.8030 -16.7736 -16.7736 -16.7735 -16.7735 -3.6543 -3.6543 -3.6360 -3.6360 -3.5963 -3.5963 -3.5739 -3.5739 -1.9499 -1.9499 -1.8820 -1.8820 -1.7933 -1.7933 -1.7536 -1.7536 -1.5649 -1.5649 -1.4767 -1.4767 -1.3862 -1.3862 -1.3301 -1.3301 2.5226 2.5226 2.5398 2.5398 2.7583 2.7583 2.7785 2.7785 5.7115 5.7115 5.8010 5.8010 5.8609 5.8609 6.0082 6.0082 6.2013 6.2013 6.2999 6.2999 6.4316 6.4316 6.5705 6.5705 6.7746 6.7746 6.8292 6.8292 6.9181 6.9181 7.0021 7.0021 7.2228 7.2228 7.3320 7.3320 7.4721 7.4721 7.6505 7.6505 7.7571 7.7571 7.8716 7.8716 7.9454 7.9454 8.0163 8.0163 8.2986 8.2986 8.3945 8.3945 8.6372 8.6372 8.7226 8.7226 10.2425 10.2425 10.3564 10.3564 10.5946 10.5946 10.7411 10.7411 11.1609 11.1609 11.2881 11.2881 11.5387 11.5387 11.7136 11.7136 12.3323 12.3323 12.4166 12.4166 13.0856 13.0856 13.1181 13.1181 13.4958 13.4958 13.5300 13.5300 k = 0.3382 0.5000 0.3382 ( 9700 PWs) bands (ev): -16.8044 -16.8044 -16.8044 -16.8044 -16.7723 -16.7723 -16.7722 -16.7722 -3.6564 -3.6564 -3.6373 -3.6373 -3.5924 -3.5924 -3.5707 -3.5707 -1.9462 -1.9462 -1.8866 -1.8866 -1.7881 -1.7881 -1.7473 -1.7473 -1.5761 -1.5761 -1.4806 -1.4806 -1.3848 -1.3848 -1.3262 -1.3262 2.5046 2.5046 2.5216 2.5216 2.7671 2.7671 2.7862 2.7862 5.7027 5.7027 5.7916 5.7916 5.8522 5.8522 6.0134 6.0134 6.1801 6.1801 6.2931 6.2931 6.4288 6.4288 6.5821 6.5821 6.7674 6.7674 6.8277 6.8277 6.9271 6.9271 7.0102 7.0102 7.2323 7.2323 7.3413 7.3413 7.4872 7.4872 7.6715 7.6715 7.7641 7.7641 7.8751 7.8751 7.9541 7.9541 8.0283 8.0283 8.2992 8.2992 8.4016 8.4016 8.6769 8.6769 8.7529 8.7529 10.1709 10.1709 10.2809 10.2809 10.5485 10.5485 10.6956 10.6956 11.1759 11.1759 11.3027 11.3027 11.5722 11.5722 11.7465 11.7465 12.3412 12.3412 12.4234 12.4234 13.0912 13.0912 13.1367 13.1367 13.4994 13.4994 13.5419 13.5419 k = 0.3235 0.5000 0.3235 ( 9708 PWs) bands (ev): -16.8058 -16.8058 -16.8057 -16.8057 -16.7709 -16.7709 -16.7708 -16.7708 -3.6586 -3.6586 -3.6386 -3.6386 -3.5884 -3.5884 -3.5673 -3.5673 -1.9429 -1.9429 -1.8905 -1.8905 -1.7826 -1.7826 -1.7412 -1.7412 -1.5870 -1.5870 -1.4845 -1.4845 -1.3843 -1.3843 -1.3227 -1.3227 2.4860 2.4860 2.5028 2.5028 2.7758 2.7758 2.7940 2.7940 5.6933 5.6933 5.7821 5.7821 5.8431 5.8431 6.0171 6.0171 6.1602 6.1602 6.2881 6.2881 6.4264 6.4264 6.5930 6.5930 6.7603 6.7603 6.8265 6.8265 6.9361 6.9361 7.0186 7.0186 7.2439 7.2439 7.3513 7.3513 7.5017 7.5017 7.6895 7.6895 7.7725 7.7725 7.8785 7.8785 7.9633 7.9633 8.0398 8.0398 8.3018 8.3018 8.4101 8.4101 8.7186 8.7186 8.7847 8.7847 10.0989 10.0989 10.2057 10.2057 10.5040 10.5040 10.6511 10.6511 11.1906 11.1906 11.3176 11.3176 11.6022 11.6022 11.7747 11.7747 12.3533 12.3533 12.4350 12.4350 13.0832 13.0832 13.1418 13.1418 13.5104 13.5104 13.5578 13.5578 k = 0.3088 0.5000 0.3088 ( 9704 PWs) bands (ev): -16.8071 -16.8071 -16.8070 -16.8070 -16.7697 -16.7697 -16.7695 -16.7695 -3.6607 -3.6607 -3.6400 -3.6400 -3.5843 -3.5843 -3.5638 -3.5638 -1.9403 -1.9403 -1.8932 -1.8932 -1.7767 -1.7767 -1.7352 -1.7352 -1.5973 -1.5973 -1.4883 -1.4883 -1.3845 -1.3845 -1.3196 -1.3196 2.4669 2.4669 2.4834 2.4834 2.7847 2.7847 2.8018 2.8018 5.6831 5.6831 5.7726 5.7726 5.8338 5.8338 6.0193 6.0193 6.1417 6.1417 6.2851 6.2851 6.4244 6.4244 6.6031 6.6031 6.7534 6.7534 6.8259 6.8259 6.9448 6.9448 7.0272 7.0272 7.2573 7.2573 7.3618 7.3618 7.5153 7.5153 7.7048 7.7048 7.7819 7.7819 7.8818 7.8818 7.9726 7.9726 8.0504 8.0504 8.3066 8.3066 8.4200 8.4200 8.7619 8.7619 8.8177 8.8177 10.0277 10.0277 10.1319 10.1319 10.4615 10.4615 10.6076 10.6076 11.2044 11.2044 11.3323 11.3323 11.6285 11.6285 11.7981 11.7981 12.3679 12.3679 12.4502 12.4502 13.0657 13.0657 13.1352 13.1352 13.5255 13.5255 13.5746 13.5746 k = 0.2941 0.5000 0.2941 ( 9704 PWs) bands (ev): -16.8084 -16.8084 -16.8083 -16.8083 -16.7684 -16.7684 -16.7683 -16.7683 -3.6628 -3.6628 -3.6414 -3.6414 -3.5802 -3.5802 -3.5602 -3.5602 -1.9388 -1.9388 -1.8945 -1.8945 -1.7706 -1.7706 -1.7294 -1.7294 -1.6068 -1.6068 -1.4918 -1.4918 -1.3854 -1.3854 -1.3171 -1.3171 2.4474 2.4474 2.4636 2.4636 2.7935 2.7935 2.8098 2.8098 5.6720 5.6720 5.7632 5.7632 5.8244 5.8244 6.0202 6.0202 6.1245 6.1245 6.2841 6.2841 6.4230 6.4230 6.6122 6.6122 6.7469 6.7469 6.8259 6.8259 6.9532 6.9532 7.0357 7.0357 7.2722 7.2722 7.3727 7.3727 7.5280 7.5280 7.7178 7.7178 7.7920 7.7920 7.8846 7.8846 7.9820 7.9820 8.0600 8.0600 8.3137 8.3137 8.4314 8.4314 8.8060 8.8060 8.8518 8.8518 9.9584 9.9584 10.0603 10.0603 10.4208 10.4208 10.5651 10.5651 11.2170 11.2170 11.3462 11.3462 11.6510 11.6510 11.8174 11.8174 12.3835 12.3835 12.4669 12.4669 13.0430 13.0430 13.1204 13.1204 13.5415 13.5415 13.5904 13.5904 k = 0.2794 0.5000 0.2794 ( 9710 PWs) bands (ev): -16.8096 -16.8096 -16.8096 -16.8096 -16.7672 -16.7672 -16.7671 -16.7671 -3.6649 -3.6649 -3.6430 -3.6430 -3.5759 -3.5759 -3.5564 -3.5564 -1.9386 -1.9386 -1.8942 -1.8942 -1.7644 -1.7644 -1.7239 -1.7239 -1.6155 -1.6155 -1.4951 -1.4951 -1.3871 -1.3871 -1.3150 -1.3150 2.4276 2.4276 2.4435 2.4435 2.8025 2.8025 2.8178 2.8178 5.6599 5.6599 5.7541 5.7541 5.8151 5.8151 6.0200 6.0200 6.1086 6.1086 6.2849 6.2849 6.4224 6.4224 6.6205 6.6205 6.7408 6.7408 6.8265 6.8265 6.9611 6.9611 7.0441 7.0441 7.2884 7.2884 7.3840 7.3840 7.5398 7.5398 7.7291 7.7291 7.8021 7.8021 7.8870 7.8870 7.9912 7.9912 8.0686 8.0686 8.3229 8.3229 8.4441 8.4441 8.8501 8.8501 8.8869 8.8869 9.8922 9.8922 9.9918 9.9918 10.3821 10.3821 10.5236 10.5236 11.2278 11.2278 11.3590 11.3590 11.6700 11.6700 11.8333 11.8333 12.3979 12.3979 12.4828 12.4828 13.0186 13.0186 13.1011 13.1011 13.5565 13.5565 13.6049 13.6049 k = 0.2647 0.5000 0.2647 ( 9714 PWs) bands (ev): -16.8108 -16.8108 -16.8108 -16.8108 -16.7660 -16.7660 -16.7659 -16.7659 -3.6669 -3.6669 -3.6446 -3.6446 -3.5716 -3.5716 -3.5526 -3.5526 -1.9397 -1.9397 -1.8924 -1.8924 -1.7581 -1.7581 -1.7187 -1.7187 -1.6231 -1.6231 -1.4980 -1.4980 -1.3894 -1.3894 -1.3136 -1.3136 2.4077 2.4077 2.4231 2.4231 2.8115 2.8115 2.8260 2.8260 5.6468 5.6468 5.7455 5.7455 5.8060 5.8060 6.0190 6.0190 6.0939 6.0939 6.2872 6.2872 6.4225 6.4225 6.6278 6.6278 6.7352 6.7352 6.8277 6.8277 6.9684 6.9684 7.0521 7.0521 7.3056 7.3056 7.3954 7.3954 7.5507 7.5507 7.7388 7.7388 7.8118 7.8118 7.8892 7.8892 8.0001 8.0001 8.0762 8.0762 8.3341 8.3341 8.4579 8.4579 8.8931 8.8931 8.9233 8.9233 9.8300 9.8300 9.9276 9.9276 10.3451 10.3451 10.4831 10.4831 11.2364 11.2364 11.3701 11.3701 11.6860 11.6860 11.8464 11.8464 12.4082 12.4082 12.4946 12.4946 12.9963 12.9963 13.0806 13.0806 13.5703 13.5703 13.6183 13.6183 k = 0.2500 0.5000 0.2500 ( 9710 PWs) bands (ev): -16.8120 -16.8120 -16.8119 -16.8119 -16.7649 -16.7649 -16.7647 -16.7647 -3.6690 -3.6690 -3.6462 -3.6462 -3.5673 -3.5673 -3.5488 -3.5488 -1.9417 -1.9417 -1.8895 -1.8895 -1.7518 -1.7518 -1.7140 -1.7140 -1.6293 -1.6293 -1.5005 -1.5005 -1.3924 -1.3924 -1.3129 -1.3129 2.3877 2.3877 2.4027 2.4027 2.8206 2.8206 2.8343 2.8343 5.6327 5.6327 5.7375 5.7375 5.7972 5.7972 6.0174 6.0174 6.0804 6.0804 6.2907 6.2907 6.4235 6.4235 6.6341 6.6341 6.7302 6.7302 6.8296 6.8296 6.9750 6.9750 7.0597 7.0597 7.3237 7.3237 7.4071 7.4071 7.5608 7.5608 7.7472 7.7472 7.8204 7.8204 7.8915 7.8915 8.0086 8.0086 8.0827 8.0827 8.3468 8.3468 8.4727 8.4727 8.9333 8.9333 8.9617 8.9617 9.7731 9.7731 9.8684 9.8684 10.3099 10.3099 10.4436 10.4436 11.2426 11.2426 11.3792 11.3792 11.6996 11.6996 11.8575 11.8575 12.4111 12.4111 12.4994 12.4994 12.9794 12.9794 13.0619 13.0619 13.5833 13.5833 13.6316 13.6316 k = 0.2353 0.5000 0.2353 ( 9706 PWs) bands (ev): -16.8131 -16.8131 -16.8130 -16.8130 -16.7638 -16.7638 -16.7636 -16.7636 -3.6710 -3.6710 -3.6479 -3.6479 -3.5629 -3.5629 -3.5450 -3.5450 -1.9443 -1.9443 -1.8860 -1.8860 -1.7459 -1.7459 -1.7097 -1.7097 -1.6339 -1.6339 -1.5026 -1.5026 -1.3960 -1.3960 -1.3128 -1.3128 2.3678 2.3678 2.3823 2.3823 2.8298 2.8298 2.8426 2.8426 5.6179 5.6179 5.7300 5.7300 5.7886 5.7886 6.0152 6.0152 6.0681 6.0681 6.2951 6.2951 6.4255 6.4255 6.6394 6.6394 6.7258 6.7258 6.8320 6.8320 6.9807 6.9807 7.0667 7.0667 7.3424 7.3424 7.4189 7.4189 7.5701 7.5701 7.7543 7.7543 7.8275 7.8275 7.8941 7.8941 8.0166 8.0166 8.0885 8.0885 8.3604 8.3604 8.4878 8.4878 8.9698 8.9698 9.0020 9.0020 9.7222 9.7222 9.8154 9.8154 10.2764 10.2764 10.4052 10.4052 11.2460 11.2460 11.3861 11.3861 11.7114 11.7114 11.8670 11.8670 12.4032 12.4032 12.4953 12.4953 12.9703 12.9703 13.0478 13.0478 13.5958 13.5958 13.6458 13.6458 k = 0.2206 0.5000 0.2206 ( 9714 PWs) bands (ev): -16.8141 -16.8141 -16.8141 -16.8141 -16.7628 -16.7628 -16.7626 -16.7626 -3.6730 -3.6730 -3.6496 -3.6496 -3.5585 -3.5585 -3.5413 -3.5413 -1.9472 -1.9472 -1.8823 -1.8823 -1.7405 -1.7405 -1.7058 -1.7058 -1.6368 -1.6368 -1.5041 -1.5041 -1.4002 -1.4002 -1.3134 -1.3134 2.3481 2.3481 2.3621 2.3621 2.8389 2.8389 2.8510 2.8510 5.6026 5.6026 5.7230 5.7230 5.7804 5.7804 6.0125 6.0125 6.0574 6.0574 6.3000 6.3000 6.4285 6.4285 6.6436 6.6436 6.7220 6.7220 6.8350 6.8350 6.9857 6.9857 7.0732 7.0732 7.3615 7.3615 7.4308 7.4308 7.5789 7.5789 7.7599 7.7599 7.8328 7.8328 7.8974 7.8974 8.0239 8.0239 8.0936 8.0936 8.3742 8.3742 8.5028 8.5028 9.0030 9.0030 9.0428 9.0428 9.6783 9.6783 9.7696 9.7696 10.2445 10.2445 10.3679 10.3679 11.2466 11.2466 11.3906 11.3906 11.7218 11.7218 11.8753 11.8753 12.3827 12.3827 12.4812 12.4812 12.9697 12.9697 13.0403 13.0403 13.6084 13.6084 13.6615 13.6615 k = 0.2059 0.5000 0.2059 ( 9706 PWs) bands (ev): -16.8151 -16.8151 -16.8151 -16.8151 -16.7618 -16.7618 -16.7616 -16.7616 -3.6749 -3.6749 -3.6514 -3.6514 -3.5542 -3.5542 -3.5377 -3.5377 -1.9501 -1.9501 -1.8786 -1.8786 -1.7360 -1.7360 -1.7019 -1.7019 -1.6379 -1.6379 -1.5050 -1.5050 -1.4049 -1.4049 -1.3147 -1.3147 2.3289 2.3289 2.3422 2.3422 2.8480 2.8480 2.8593 2.8593 5.5870 5.5870 5.7164 5.7164 5.7726 5.7726 6.0090 6.0090 6.0484 6.0484 6.3051 6.3051 6.4328 6.4328 6.6467 6.6467 6.7188 6.7188 6.8384 6.8384 6.9898 6.9898 7.0790 7.0790 7.3806 7.3806 7.4428 7.4428 7.5874 7.5874 7.7642 7.7642 7.8360 7.8360 7.9017 7.9017 8.0305 8.0305 8.0983 8.0983 8.3875 8.3875 8.5169 8.5169 9.0335 9.0335 9.0826 9.0826 9.6417 9.6417 9.7324 9.7324 10.2142 10.2142 10.3317 10.3317 11.2444 11.2444 11.3928 11.3928 11.7308 11.7308 11.8826 11.8826 12.3501 12.3501 12.4575 12.4575 12.9767 12.9767 13.0398 13.0398 13.6210 13.6210 13.6787 13.6787 k = 0.1912 0.5000 0.1912 ( 9704 PWs) bands (ev): -16.8161 -16.8161 -16.8160 -16.8160 -16.7609 -16.7609 -16.7607 -16.7607 -3.6768 -3.6768 -3.6531 -3.6531 -3.5499 -3.5499 -3.5342 -3.5342 -1.9530 -1.9530 -1.8753 -1.8753 -1.7327 -1.7327 -1.6977 -1.6977 -1.6375 -1.6375 -1.5054 -1.5054 -1.4100 -1.4100 -1.3167 -1.3167 2.3102 2.3102 2.3228 2.3228 2.8569 2.8569 2.8676 2.8676 5.5716 5.5716 5.7099 5.7099 5.7654 5.7654 6.0042 6.0042 6.0417 6.0417 6.3100 6.3100 6.4383 6.4383 6.6489 6.6489 6.7162 6.7162 6.8423 6.8423 6.9931 6.9931 7.0841 7.0841 7.3996 7.3996 7.4548 7.4548 7.5956 7.5956 7.7669 7.7669 7.8373 7.8373 7.9069 7.9069 8.0364 8.0364 8.1028 8.1028 8.3996 8.3996 8.5293 8.5293 9.0617 9.0617 9.1204 9.1204 9.6127 9.6127 9.7049 9.7049 10.1854 10.1854 10.2968 10.2968 11.2397 11.2397 11.3926 11.3926 11.7386 11.7386 11.8888 11.8888 12.3078 12.3078 12.4254 12.4254 12.9894 12.9894 13.0455 13.0455 13.6337 13.6337 13.6968 13.6968 k = 0.1765 0.5000 0.1765 ( 9706 PWs) bands (ev): -16.8170 -16.8170 -16.8169 -16.8169 -16.7600 -16.7600 -16.7598 -16.7598 -3.6786 -3.6786 -3.6547 -3.6547 -3.5457 -3.5457 -3.5309 -3.5309 -1.9557 -1.9557 -1.8724 -1.8724 -1.7305 -1.7305 -1.6928 -1.6928 -1.6357 -1.6357 -1.5051 -1.5051 -1.4155 -1.4155 -1.3195 -1.3195 2.2922 2.2922 2.3041 2.3041 2.8658 2.8658 2.8757 2.8757 5.5564 5.5564 5.7035 5.7035 5.7589 5.7589 5.9978 5.9978 6.0375 6.0375 6.3145 6.3145 6.4451 6.4451 6.6500 6.6500 6.7141 6.7141 6.8465 6.8465 6.9956 6.9956 7.0884 7.0884 7.4182 7.4182 7.4669 7.4669 7.6038 7.6038 7.7681 7.7681 7.8369 7.8369 7.9128 7.9128 8.0415 8.0415 8.1072 8.1072 8.4101 8.4101 8.5392 8.5392 9.0879 9.0879 9.1557 9.1557 9.5910 9.5910 9.6879 9.6879 10.1582 10.1582 10.2631 10.2631 11.2326 11.2326 11.3904 11.3904 11.7450 11.7450 11.8939 11.8939 12.2588 12.2588 12.3868 12.3868 13.0060 13.0060 13.0558 13.0558 13.6459 13.6459 13.7148 13.7148 k = 0.1618 0.5000 0.1618 ( 9732 PWs) bands (ev): -16.8178 -16.8178 -16.8178 -16.8178 -16.7592 -16.7592 -16.7590 -16.7590 -3.6803 -3.6803 -3.6564 -3.6564 -3.5417 -3.5417 -3.5277 -3.5277 -1.9582 -1.9582 -1.8701 -1.8701 -1.7292 -1.7292 -1.6873 -1.6873 -1.6330 -1.6330 -1.5044 -1.5044 -1.4210 -1.4210 -1.3229 -1.3229 2.2750 2.2750 2.2862 2.2862 2.8744 2.8744 2.8835 2.8835 5.5417 5.5417 5.6971 5.6971 5.7531 5.7531 5.9903 5.9903 6.0355 6.0355 6.3185 6.3185 6.4532 6.4532 6.6503 6.6503 6.7124 6.7124 6.8511 6.8511 6.9973 6.9973 7.0918 7.0918 7.4359 7.4359 7.4792 7.4792 7.6121 7.6121 7.7679 7.7679 7.8352 7.8352 7.9191 7.9191 8.0457 8.0457 8.1114 8.1114 8.4182 8.4182 8.5460 8.5460 9.1125 9.1125 9.1883 9.1883 9.5763 9.5763 9.6814 9.6814 10.1324 10.1324 10.2307 10.2307 11.2234 11.2234 11.3863 11.3863 11.7497 11.7497 11.8978 11.8978 12.2059 12.2059 12.3438 12.3438 13.0246 13.0246 13.0692 13.0692 13.6572 13.6572 13.7317 13.7317 k = 0.1471 0.5000 0.1471 ( 9710 PWs) bands (ev): -16.8186 -16.8186 -16.8185 -16.8185 -16.7585 -16.7585 -16.7583 -16.7583 -3.6820 -3.6820 -3.6579 -3.6579 -3.5377 -3.5377 -3.5248 -3.5248 -1.9605 -1.9605 -1.8684 -1.8684 -1.7285 -1.7285 -1.6813 -1.6813 -1.6296 -1.6296 -1.5035 -1.5035 -1.4264 -1.4264 -1.3271 -1.3271 2.2589 2.2589 2.2692 2.2692 2.8827 2.8827 2.8911 2.8911 5.5278 5.5278 5.6905 5.6905 5.7482 5.7482 5.9821 5.9821 6.0351 6.0351 6.3219 6.3219 6.4623 6.4623 6.6497 6.6497 6.7109 6.7109 6.8559 6.8559 6.9983 6.9983 7.0945 7.0945 7.4525 7.4525 7.4917 7.4917 7.6207 7.6207 7.7665 7.7665 7.8325 7.8325 7.9256 7.9256 8.0491 8.0491 8.1156 8.1156 8.4239 8.4239 8.5493 8.5493 9.1361 9.1361 9.2181 9.2181 9.5683 9.5683 9.6846 9.6846 10.1079 10.1079 10.1999 10.1999 11.2124 11.2124 11.3806 11.3806 11.7527 11.7527 11.9004 11.9004 12.1517 12.1517 12.2985 12.2985 13.0442 13.0442 13.0843 13.0843 13.6671 13.6671 13.7466 13.7466 k = 0.1324 0.5000 0.1324 ( 9718 PWs) bands (ev): -16.8193 -16.8193 -16.8192 -16.8192 -16.7578 -16.7578 -16.7576 -16.7576 -3.6835 -3.6835 -3.6594 -3.6594 -3.5340 -3.5340 -3.5222 -3.5222 -1.9625 -1.9625 -1.8674 -1.8674 -1.7279 -1.7279 -1.6753 -1.6753 -1.6254 -1.6254 -1.5026 -1.5026 -1.4311 -1.4311 -1.3319 -1.3319 2.2438 2.2438 2.2533 2.2533 2.8905 2.8905 2.8983 2.8983 5.5148 5.5148 5.6839 5.6839 5.7442 5.7442 5.9736 5.9736 6.0358 6.0358 6.3248 6.3248 6.4724 6.4724 6.6485 6.6485 6.7097 6.7097 6.8608 6.8608 6.9987 6.9987 7.0965 7.0965 7.4671 7.4671 7.5049 7.5049 7.6295 7.6295 7.7640 7.7640 7.8290 7.8290 7.9322 7.9322 8.0516 8.0516 8.1197 8.1197 8.4269 8.4269 8.5493 8.5493 9.1592 9.1592 9.2454 9.2454 9.5664 9.5664 9.6957 9.6957 10.0846 10.0846 10.1706 10.1706 11.2000 11.2000 11.3736 11.3736 11.7538 11.7538 11.9016 11.9016 12.0984 12.0984 12.2527 12.2527 13.0638 13.0638 13.1004 13.1004 13.6753 13.6753 13.7591 13.7591 k = 0.1176 0.5000 0.1176 ( 9710 PWs) bands (ev): -16.8199 -16.8199 -16.8199 -16.8199 -16.7572 -16.7572 -16.7570 -16.7570 -3.6849 -3.6849 -3.6608 -3.6608 -3.5305 -3.5305 -3.5198 -3.5198 -1.9643 -1.9643 -1.8670 -1.8670 -1.7272 -1.7272 -1.6696 -1.6696 -1.6206 -1.6206 -1.5025 -1.5025 -1.4347 -1.4347 -1.3373 -1.3373 2.2301 2.2301 2.2386 2.2386 2.8980 2.8980 2.9050 2.9050 5.5027 5.5027 5.6774 5.6774 5.7409 5.7409 5.9653 5.9653 6.0372 6.0372 6.3271 6.3271 6.4832 6.4832 6.6465 6.6465 6.7087 6.7087 6.8658 6.8658 6.9984 6.9984 7.0978 7.0978 7.4794 7.4794 7.5191 7.5191 7.6384 7.6384 7.7607 7.7607 7.8249 7.8249 7.9387 7.9387 8.0530 8.0530 8.1236 8.1236 8.4273 8.4273 8.5464 8.5464 9.1822 9.1822 9.2704 9.2704 9.5698 9.5698 9.7128 9.7128 10.0623 10.0623 10.1433 10.1433 11.1866 11.1866 11.3654 11.3654 11.7534 11.7534 11.9012 11.9012 12.0478 12.0478 12.2080 12.2080 13.0829 13.0829 13.1167 13.1167 13.6819 13.6819 13.7692 13.7692 k = 0.1029 0.5000 0.1029 ( 9706 PWs) bands (ev): -16.8205 -16.8205 -16.8204 -16.8204 -16.7566 -16.7566 -16.7564 -16.7564 -3.6861 -3.6861 -3.6621 -3.6621 -3.5272 -3.5272 -3.5177 -3.5177 -1.9658 -1.9658 -1.8670 -1.8670 -1.7265 -1.7265 -1.6644 -1.6644 -1.6151 -1.6151 -1.5037 -1.5037 -1.4366 -1.4366 -1.3434 -1.3434 2.2177 2.2177 2.2253 2.2253 2.9048 2.9048 2.9111 2.9111 5.4918 5.4918 5.6712 5.6712 5.7384 5.7384 5.9573 5.9573 6.0390 6.0390 6.3289 6.3289 6.4944 6.4944 6.6438 6.6438 6.7077 6.7077 6.8706 6.8706 6.9978 6.9978 7.0986 7.0986 7.4892 7.4892 7.5342 7.5342 7.6471 7.6471 7.7570 7.7570 7.8202 7.8202 7.9453 7.9453 8.0534 8.0534 8.1273 8.1273 8.4254 8.4254 8.5414 8.5414 9.2052 9.2052 9.2931 9.2931 9.5778 9.5778 9.7337 9.7337 10.0408 10.0408 10.1182 10.1182 11.1727 11.1727 11.3565 11.3565 11.7517 11.7517 11.8984 11.8984 12.0023 12.0023 12.1655 12.1655 13.1010 13.1010 13.1327 13.1327 13.6870 13.6870 13.7773 13.7773 k = 0.0882 0.5000 0.0882 ( 9722 PWs) bands (ev): -16.8210 -16.8210 -16.8209 -16.8209 -16.7561 -16.7561 -16.7559 -16.7559 -3.6873 -3.6873 -3.6632 -3.6632 -3.5242 -3.5242 -3.5160 -3.5160 -1.9670 -1.9670 -1.8675 -1.8675 -1.7256 -1.7256 -1.6600 -1.6600 -1.6086 -1.6086 -1.5069 -1.5069 -1.4361 -1.4361 -1.3499 -1.3499 2.2068 2.2068 2.2134 2.2134 2.9110 2.9110 2.9165 2.9165 5.4822 5.4822 5.6654 5.6654 5.7365 5.7365 5.9499 5.9499 6.0410 6.0410 6.3304 6.3304 6.5058 6.5058 6.6405 6.6405 6.7070 6.7070 6.8752 6.8752 6.9967 6.9967 7.0990 7.0990 7.4968 7.4968 7.5499 7.5499 7.6549 7.6549 7.7533 7.7533 7.8150 7.8150 7.9519 7.9519 8.0527 8.0527 8.1309 8.1309 8.4217 8.4217 8.5351 8.5351 9.2279 9.2279 9.3132 9.3132 9.5891 9.5891 9.7566 9.7566 10.0199 10.0199 10.0955 10.0955 11.1588 11.1588 11.3473 11.3473 11.7494 11.7494 11.8907 11.8907 11.9658 11.9658 12.1261 12.1261 13.1178 13.1178 13.1478 13.1478 13.6913 13.6913 13.7839 13.7839 k = 0.0735 0.5000 0.0735 ( 9726 PWs) bands (ev): -16.8214 -16.8214 -16.8213 -16.8213 -16.7557 -16.7557 -16.7555 -16.7555 -3.6882 -3.6882 -3.6642 -3.6642 -3.5215 -3.5215 -3.5146 -3.5146 -1.9681 -1.9681 -1.8681 -1.8681 -1.7247 -1.7247 -1.6565 -1.6565 -1.6013 -1.6013 -1.5120 -1.5120 -1.4334 -1.4334 -1.3570 -1.3570 2.1975 2.1975 2.2032 2.2032 2.9165 2.9165 2.9213 2.9213 5.4738 5.4738 5.6601 5.6601 5.7351 5.7351 5.9433 5.9433 6.0430 6.0430 6.3315 6.3315 6.5170 6.5170 6.6367 6.6367 6.7063 6.7063 6.8795 6.8795 6.9954 6.9954 7.0991 7.0991 7.5025 7.5025 7.5658 7.5658 7.6611 7.6611 7.7504 7.7504 7.8094 7.8094 7.9585 7.9585 8.0507 8.0507 8.1344 8.1344 8.4167 8.4167 8.5283 8.5283 9.2500 9.2500 9.3303 9.3303 9.6026 9.6026 9.7800 9.7800 9.9995 9.9995 10.0757 10.0757 11.1454 11.1454 11.3380 11.3380 11.7471 11.7471 11.8737 11.8737 11.9437 11.9437 12.0903 12.0903 13.1330 13.1330 13.1615 13.1615 13.6951 13.6951 13.7895 13.7895 k = 0.0588 0.5000 0.0588 ( 9732 PWs) bands (ev): -16.8217 -16.8217 -16.8217 -16.8217 -16.7554 -16.7554 -16.7552 -16.7552 -3.6890 -3.6890 -3.6650 -3.6650 -3.5192 -3.5192 -3.5135 -3.5135 -1.9689 -1.9689 -1.8689 -1.8689 -1.7237 -1.7237 -1.6539 -1.6539 -1.5931 -1.5931 -1.5188 -1.5188 -1.4288 -1.4288 -1.3644 -1.3644 2.1898 2.1898 2.1946 2.1946 2.9212 2.9212 2.9252 2.9252 5.4669 5.4669 5.6556 5.6556 5.7342 5.7342 5.9377 5.9377 6.0448 6.0448 6.3323 6.3323 6.5276 6.5276 6.6324 6.6324 6.7058 6.7058 6.8832 6.8832 6.9941 6.9941 7.0989 7.0989 7.5068 7.5068 7.5812 7.5812 7.6649 7.6649 7.7490 7.7490 7.8035 7.8035 7.9649 7.9649 8.0478 8.0478 8.1377 8.1377 8.4112 8.4112 8.5218 8.5218 9.2708 9.2708 9.3438 9.3438 9.6170 9.6170 9.8024 9.8024 9.9800 9.9800 10.0589 10.0589 11.1333 11.1333 11.3293 11.3293 11.7457 11.7457 11.8489 11.8489 11.9357 11.9357 12.0584 12.0584 13.1461 13.1461 13.1734 13.1734 13.6988 13.6988 13.7944 13.7944 k = 0.0441 0.5000 0.0441 ( 9728 PWs) bands (ev): -16.8220 -16.8220 -16.8220 -16.8220 -16.7551 -16.7551 -16.7549 -16.7549 -3.6897 -3.6897 -3.6657 -3.6657 -3.5172 -3.5172 -3.5129 -3.5129 -1.9695 -1.9695 -1.8696 -1.8696 -1.7229 -1.7229 -1.6520 -1.6520 -1.5842 -1.5842 -1.5268 -1.5268 -1.4229 -1.4229 -1.3721 -1.3721 2.1838 2.1838 2.1877 2.1877 2.9249 2.9249 2.9282 2.9282 5.4615 5.4615 5.6520 5.6520 5.7335 5.7335 5.9331 5.9331 6.0463 6.0463 6.3329 6.3329 6.5371 6.5371 6.6280 6.6280 6.7054 6.7054 6.8863 6.8863 6.9928 6.9928 7.0987 7.0987 7.5099 7.5099 7.5958 7.5958 7.6654 7.6654 7.7496 7.7496 7.7974 7.7974 7.9710 7.9710 8.0441 8.0441 8.1407 8.1407 8.4059 8.4059 8.5162 8.5162 9.2895 9.2895 9.3533 9.3533 9.6309 9.6309 9.8226 9.8226 9.9619 9.9619 10.0453 10.0453 11.1230 11.1230 11.3217 11.3217 11.7461 11.7461 11.8230 11.8230 11.9354 11.9354 12.0309 12.0309 13.1568 13.1568 13.1831 13.1831 13.7023 13.7023 13.7986 13.7986 k = 0.0294 0.5000 0.0294 ( 9716 PWs) bands (ev): -16.8222 -16.8222 -16.8221 -16.8221 -16.7550 -16.7550 -16.7548 -16.7548 -3.6901 -3.6901 -3.6661 -3.6661 -3.5155 -3.5155 -3.5126 -3.5126 -1.9699 -1.9699 -1.8702 -1.8702 -1.7223 -1.7223 -1.6508 -1.6508 -1.5749 -1.5749 -1.5357 -1.5357 -1.4162 -1.4162 -1.3797 -1.3797 2.1796 2.1796 2.1827 2.1827 2.9277 2.9277 2.9304 2.9304 5.4575 5.4575 5.6493 5.6493 5.7331 5.7331 5.9297 5.9297 6.0475 6.0475 6.3333 6.3333 6.5450 6.5450 6.6240 6.6240 6.7052 6.7052 6.8887 6.8887 6.9918 6.9918 7.0985 7.0985 7.5120 7.5120 7.6088 7.6088 7.6631 7.6631 7.7518 7.7518 7.7917 7.7917 7.9764 7.9764 8.0404 8.0404 8.1430 8.1430 8.4015 8.4015 8.5120 8.5120 9.3050 9.3050 9.3588 9.3588 9.6428 9.6428 9.8393 9.8393 9.9465 9.9465 10.0350 10.0350 11.1151 11.1151 11.3158 11.3158 11.7491 11.7491 11.8001 11.8001 11.9393 11.9393 12.0080 12.0080 13.1648 13.1648 13.1902 13.1902 13.7054 13.7054 13.8019 13.8019 k = 0.0147 0.5000 0.0147 ( 9714 PWs) bands (ev): -16.8223 -16.8223 -16.8223 -16.8223 -16.7548 -16.7548 -16.7546 -16.7546 -3.6904 -3.6904 -3.6664 -3.6664 -3.5143 -3.5143 -3.5126 -3.5126 -1.9702 -1.9702 -1.8706 -1.8706 -1.7218 -1.7218 -1.6501 -1.6501 -1.5652 -1.5652 -1.5451 -1.5451 -1.4097 -1.4097 -1.3867 -1.3867 2.1772 2.1772 2.1796 2.1796 2.9294 2.9294 2.9317 2.9317 5.4552 5.4552 5.6477 5.6477 5.7329 5.7329 5.9277 5.9277 6.0483 6.0483 6.3335 6.3335 6.5503 6.5503 6.6210 6.6210 6.7050 6.7050 6.8901 6.8901 6.9911 6.9911 7.0983 7.0983 7.5132 7.5132 7.6189 7.6189 7.6592 7.6592 7.7546 7.7546 7.7871 7.7871 7.9801 7.9801 8.0375 8.0375 8.1445 8.1445 8.3986 8.3986 8.5093 8.5093 9.3157 9.3157 9.3609 9.3609 9.6509 9.6509 9.8509 9.8509 9.9356 9.9356 10.0286 10.0286 11.1102 11.1102 11.3120 11.3120 11.7552 11.7552 11.7814 11.7814 11.9451 11.9451 11.9910 11.9910 13.1697 13.1697 13.1946 13.1946 13.7075 13.7075 13.8041 13.8041 k = 0.0000 0.5000-0.0000 ( 9658 PWs) bands (ev): -16.8223 -16.8223 -16.8223 -16.8223 -16.7548 -16.7548 -16.7546 -16.7546 -3.6905 -3.6905 -3.6665 -3.6665 -3.5137 -3.5137 -3.5128 -3.5128 -1.9702 -1.9702 -1.8707 -1.8707 -1.7217 -1.7217 -1.6499 -1.6499 -1.5573 -1.5573 -1.5530 -1.5530 -1.4062 -1.4062 -1.3904 -1.3904 2.1764 2.1764 2.1785 2.1785 2.9300 2.9300 2.9321 2.9321 5.4544 5.4544 5.6471 5.6471 5.7329 5.7329 5.9270 5.9270 6.0485 6.0485 6.3336 6.3336 6.5522 6.5522 6.6199 6.6199 6.7050 6.7050 6.8906 6.8906 6.9908 6.9908 7.0983 7.0983 7.5136 7.5136 7.6231 7.6231 7.6570 7.6570 7.7559 7.7559 7.7853 7.7853 7.9815 7.9815 8.0364 8.0364 8.1451 8.1451 8.3976 8.3976 8.5084 8.5084 9.3197 9.3197 9.3613 9.3613 9.6538 9.6538 9.8552 9.8552 9.9315 9.9315 10.0263 10.0263 11.1085 11.1085 11.3107 11.3107 11.7621 11.7621 11.7702 11.7702 11.9486 11.9486 11.9838 11.9838 13.1713 13.1713 13.1961 13.1961 13.7083 13.7083 13.8048 13.8048 k = 0.5000 0.5000-0.0000 ( 9684 PWs) bands (ev): -16.8116 -16.8116 -16.8116 -16.8116 -16.7652 -16.7652 -16.7652 -16.7652 -3.6450 -3.6450 -3.6450 -3.6450 -3.5705 -3.5705 -3.5705 -3.5705 -1.8900 -1.8900 -1.8900 -1.8900 -1.7637 -1.7637 -1.7637 -1.7637 -1.5999 -1.5999 -1.5999 -1.5999 -1.3134 -1.3134 -1.3134 -1.3134 2.4640 2.4640 2.4640 2.4640 2.7506 2.7506 2.7506 2.7506 5.6436 5.6436 5.6436 5.6436 5.8961 5.8961 5.8961 5.8961 6.2449 6.2449 6.2449 6.2449 6.4641 6.4641 6.4641 6.4641 6.8084 6.8084 6.8084 6.8084 7.0782 7.0782 7.0782 7.0782 7.3541 7.3541 7.3541 7.3541 7.6569 7.6569 7.6569 7.6569 7.9019 7.9019 7.9019 7.9019 7.9903 7.9903 7.9903 7.9903 8.5257 8.5257 8.5257 8.5257 9.0744 9.0744 9.0744 9.0744 9.6836 9.6836 9.6836 9.6836 9.8045 9.8045 9.8045 9.8045 11.5288 11.5288 11.5288 11.5288 12.3878 12.3878 12.3878 12.3878 12.6521 12.6521 12.6521 12.6521 12.9300 12.9300 12.9300 12.9300 13.3819 13.3819 13.3819 13.3819 k = 0.5000 0.5000 0.0208 ( 9700 PWs) bands (ev): -16.8116 -16.8116 -16.8116 -16.8116 -16.7652 -16.7652 -16.7652 -16.7652 -3.6457 -3.6457 -3.6444 -3.6444 -3.5712 -3.5712 -3.5699 -3.5699 -1.8912 -1.8912 -1.8890 -1.8890 -1.7727 -1.7727 -1.7542 -1.7542 -1.6072 -1.6072 -1.5923 -1.5923 -1.3144 -1.3144 -1.3128 -1.3128 2.4639 2.4639 2.4652 2.4652 2.7499 2.7499 2.7515 2.7515 5.6430 5.6430 5.6455 5.6455 5.8957 5.8957 5.8971 5.8971 6.2434 6.2434 6.2462 6.2462 6.4589 6.4589 6.4695 6.4695 6.8075 6.8075 6.8096 6.8096 7.0765 7.0765 7.0781 7.0781 7.3494 7.3494 7.3572 7.3572 7.6561 7.6561 7.6571 7.6571 7.8930 7.8930 7.9102 7.9102 7.9814 7.9814 7.9991 7.9991 8.5092 8.5092 8.5371 8.5371 9.0678 9.0678 9.0731 9.0731 9.6850 9.6850 9.6929 9.6929 9.8033 9.8033 9.8175 9.8175 11.5235 11.5235 11.5274 11.5274 12.3681 12.3681 12.3960 12.3960 12.6533 12.6533 12.6537 12.6537 12.9157 12.9157 12.9438 12.9438 13.3797 13.3797 13.3842 13.3842 k = 0.5000 0.5000 0.0417 ( 9668 PWs) bands (ev): -16.8114 -16.8114 -16.8114 -16.8114 -16.7654 -16.7654 -16.7654 -16.7654 -3.6464 -3.6464 -3.6437 -3.6437 -3.5721 -3.5721 -3.5696 -3.5696 -1.8929 -1.8929 -1.8882 -1.8882 -1.7811 -1.7811 -1.7445 -1.7445 -1.6142 -1.6142 -1.5845 -1.5845 -1.3158 -1.3158 -1.3125 -1.3125 2.4648 2.4648 2.4673 2.4673 2.7494 2.7494 2.7527 2.7527 5.6438 5.6438 5.6488 5.6488 5.8960 5.8960 5.8989 5.8989 6.2417 6.2417 6.2473 6.2473 6.4541 6.4541 6.4751 6.4751 6.8067 6.8067 6.8110 6.8110 7.0729 7.0729 7.0763 7.0763 7.3434 7.3434 7.3586 7.3586 7.6545 7.6545 7.6565 7.6565 7.8838 7.8838 7.9178 7.9178 7.9725 7.9725 8.0079 8.0079 8.4883 8.4883 8.5433 8.5433 9.0535 9.0535 9.0643 9.0643 9.6976 9.6976 9.7115 9.7115 9.8146 9.8146 9.8414 9.8414 11.5121 11.5121 11.5196 11.5196 12.3375 12.3375 12.3920 12.3920 12.6573 12.6573 12.6587 12.6587 12.9026 12.9026 12.9550 12.9550 13.3777 13.3777 13.3865 13.3865 k = 0.5000 0.5000 0.0625 ( 9672 PWs) bands (ev): -16.8112 -16.8112 -16.8112 -16.8112 -16.7656 -16.7656 -16.7656 -16.7656 -3.6470 -3.6470 -3.6431 -3.6431 -3.5732 -3.5732 -3.5694 -3.5694 -1.8951 -1.8951 -1.8876 -1.8876 -1.7888 -1.7888 -1.7350 -1.7350 -1.6206 -1.6206 -1.5767 -1.5767 -1.3176 -1.3176 -1.3127 -1.3127 2.4666 2.4666 2.4704 2.4704 2.7492 2.7492 2.7540 2.7540 5.6459 5.6459 5.6535 5.6535 5.8969 5.8969 5.9014 5.9014 6.2400 6.2400 6.2482 6.2482 6.4498 6.4498 6.4807 6.4807 6.8062 6.8062 6.8127 6.8127 7.0673 7.0673 7.0729 7.0729 7.3362 7.3362 7.3583 7.3583 7.6524 7.6524 7.6551 7.6551 7.8744 7.8744 7.9244 7.9244 7.9637 7.9637 8.0165 8.0165 8.4640 8.4640 8.5443 8.5443 9.0322 9.0322 9.0489 9.0489 9.7212 9.7212 9.7378 9.7378 9.8382 9.8382 9.8750 9.8750 11.4950 11.4950 11.5058 11.5058 12.2971 12.2971 12.3754 12.3754 12.6630 12.6630 12.6690 12.6690 12.8914 12.8914 12.9616 12.9616 13.3761 13.3761 13.3890 13.3890 k = 0.5000 0.5000 0.0833 ( 9680 PWs) bands (ev): -16.8108 -16.8108 -16.8108 -16.8108 -16.7659 -16.7659 -16.7659 -16.7659 -3.6477 -3.6477 -3.6425 -3.6425 -3.5746 -3.5746 -3.5695 -3.5695 -1.8978 -1.8978 -1.8870 -1.8870 -1.7955 -1.7955 -1.7259 -1.7259 -1.6262 -1.6262 -1.5688 -1.5688 -1.3198 -1.3198 -1.3133 -1.3133 2.4695 2.4695 2.4745 2.4745 2.7490 2.7490 2.7554 2.7554 5.6491 5.6491 5.6595 5.6595 5.8985 5.8985 5.9046 5.9046 6.2383 6.2383 6.2489 6.2489 6.4460 6.4460 6.4862 6.4862 6.8059 6.8059 6.8145 6.8145 7.0600 7.0600 7.0680 7.0680 7.3280 7.3280 7.3563 7.3563 7.6498 7.6498 7.6527 7.6527 7.8651 7.8651 7.9298 7.9298 7.9550 7.9550 8.0248 8.0248 8.4373 8.4373 8.5408 8.5408 9.0051 9.0051 9.0283 9.0283 9.7550 9.7550 9.7702 9.7702 9.8736 9.8736 9.9169 9.9169 11.4731 11.4731 11.4866 11.4866 12.2485 12.2485 12.3466 12.3466 12.6711 12.6711 12.6839 12.6839 12.8816 12.8816 12.9625 12.9625 13.3751 13.3751 13.3916 13.3916 k = 0.5000 0.5000 0.1042 ( 9684 PWs) bands (ev): -16.8104 -16.8104 -16.8104 -16.8104 -16.7664 -16.7664 -16.7664 -16.7664 -3.6483 -3.6483 -3.6420 -3.6420 -3.5761 -3.5761 -3.5697 -3.5697 -1.9012 -1.9012 -1.8863 -1.8863 -1.8012 -1.8012 -1.7180 -1.7180 -1.6303 -1.6303 -1.5609 -1.5609 -1.3225 -1.3225 -1.3141 -1.3141 2.4733 2.4733 2.4796 2.4796 2.7490 2.7490 2.7570 2.7570 5.6535 5.6535 5.6668 5.6668 5.9006 5.9006 5.9085 5.9085 6.2368 6.2368 6.2494 6.2494 6.4429 6.4429 6.4915 6.4915 6.8058 6.8058 6.8166 6.8166 7.0509 7.0509 7.0617 7.0617 7.3190 7.3190 7.3524 7.3524 7.6465 7.6465 7.6494 7.6494 7.8558 7.8558 7.9339 7.9339 7.9465 7.9465 8.0324 8.0324 8.4096 8.4096 8.5336 8.5336 8.9735 8.9735 9.0037 9.0037 9.7978 9.7978 9.8075 9.8075 9.9194 9.9194 9.9661 9.9661 11.4474 11.4474 11.4629 11.4629 12.1936 12.1936 12.3068 12.3068 12.6812 12.6812 12.7027 12.7027 12.8726 12.8726 12.9570 12.9570 13.3748 13.3748 13.3946 13.3946 k = 0.5000 0.5000 0.1250 ( 9700 PWs) bands (ev): -16.8098 -16.8098 -16.8098 -16.8098 -16.7669 -16.7669 -16.7669 -16.7669 -3.6488 -3.6488 -3.6414 -3.6414 -3.5778 -3.5778 -3.5701 -3.5701 -1.9052 -1.9052 -1.8855 -1.8855 -1.8060 -1.8060 -1.7119 -1.7119 -1.6322 -1.6322 -1.5529 -1.5529 -1.3256 -1.3256 -1.3154 -1.3154 2.4780 2.4780 2.4855 2.4855 2.7490 2.7490 2.7585 2.7585 5.6588 5.6588 5.6753 5.6753 5.9031 5.9031 5.9132 5.9132 6.2355 6.2355 6.2498 6.2498 6.4406 6.4406 6.4966 6.4966 6.8059 6.8059 6.8189 6.8189 7.0402 7.0402 7.0543 7.0543 7.3095 7.3095 7.3469 7.3469 7.6428 7.6428 7.6451 7.6451 7.8464 7.8464 7.9364 7.9364 7.9384 7.9384 8.0391 8.0391 8.3822 8.3822 8.5235 8.5235 8.9383 8.9383 8.9761 8.9761 9.8481 9.8481 9.8491 9.8491 9.9741 9.9741 10.0215 10.0215 11.4189 11.4189 11.4358 11.4358 12.1339 12.1339 12.2584 12.2584 12.6911 12.6911 12.7240 12.7240 12.8646 12.8646 12.9455 12.9455 13.3757 13.3757 13.3982 13.3982 k = 0.5000 0.5000 0.1458 ( 9684 PWs) bands (ev): -16.8092 -16.8092 -16.8092 -16.8092 -16.7675 -16.7675 -16.7675 -16.7675 -3.6493 -3.6493 -3.6408 -3.6408 -3.5797 -3.5797 -3.5707 -3.5707 -1.9098 -1.9098 -1.8845 -1.8845 -1.8098 -1.8098 -1.7086 -1.7086 -1.6312 -1.6312 -1.5450 -1.5450 -1.3291 -1.3291 -1.3169 -1.3169 2.4837 2.4837 2.4924 2.4924 2.7489 2.7489 2.7599 2.7599 5.6648 5.6648 5.6848 5.6848 5.9061 5.9061 5.9185 5.9185 6.2346 6.2346 6.2504 6.2504 6.4390 6.4390 6.5013 6.5013 6.8062 6.8062 6.8213 6.8213 7.0280 7.0280 7.0461 7.0461 7.2996 7.2996 7.3399 7.3399 7.6384 7.6384 7.6398 7.6398 7.8368 7.8368 7.9310 7.9310 7.9374 7.9374 8.0445 8.0445 8.3562 8.3562 8.5114 8.5114 8.9006 8.9006 8.9465 8.9465 9.8944 9.8944 9.9045 9.9045 10.0360 10.0360 10.0822 10.0822 11.3886 11.3886 11.4063 11.4063 12.0709 12.0709 12.2037 12.2037 12.6969 12.6969 12.7457 12.7457 12.8597 12.8597 12.9294 12.9294 13.3777 13.3777 13.4025 13.4025 k = 0.5000 0.5000 0.1667 ( 9676 PWs) bands (ev): -16.8085 -16.8085 -16.8084 -16.8084 -16.7682 -16.7682 -16.7682 -16.7682 -3.6496 -3.6496 -3.6403 -3.6403 -3.5818 -3.5818 -3.5714 -3.5714 -1.9148 -1.9148 -1.8833 -1.8833 -1.8128 -1.8128 -1.7084 -1.7084 -1.6270 -1.6270 -1.5372 -1.5372 -1.3330 -1.3330 -1.3187 -1.3187 2.4903 2.4903 2.5001 2.5001 2.7486 2.7486 2.7611 2.7611 5.6715 5.6715 5.6953 5.6953 5.9093 5.9093 5.9244 5.9244 6.2342 6.2342 6.2514 6.2514 6.4382 6.4382 6.5056 6.5056 6.8068 6.8068 6.8238 6.8238 7.0148 7.0148 7.0372 7.0372 7.2896 7.2896 7.3315 7.3315 7.6332 7.6332 7.6333 7.6333 7.8269 7.8269 7.9244 7.9244 7.9366 7.9366 8.0480 8.0480 8.3328 8.3328 8.4981 8.4981 8.8613 8.8613 8.9154 8.9154 9.9429 9.9429 9.9658 9.9658 10.1036 10.1036 10.1474 10.1474 11.3574 11.3574 11.3755 11.3755 12.0058 12.0058 12.1449 12.1449 12.6940 12.6940 12.7644 12.7644 12.8608 12.8608 12.9116 12.9116 13.3811 13.3811 13.4077 13.4077 k = 0.5000 0.5000 0.1875 ( 9692 PWs) bands (ev): -16.8077 -16.8077 -16.8076 -16.8076 -16.7690 -16.7690 -16.7690 -16.7690 -3.6499 -3.6499 -3.6397 -3.6397 -3.5841 -3.5841 -3.5723 -3.5723 -1.9202 -1.9202 -1.8818 -1.8818 -1.8150 -1.8150 -1.7110 -1.7110 -1.6200 -1.6200 -1.5294 -1.5294 -1.3373 -1.3373 -1.3208 -1.3208 2.4977 2.4977 2.5086 2.5086 2.7481 2.7481 2.7621 2.7621 5.6787 5.6787 5.7066 5.7066 5.9126 5.9126 5.9307 5.9307 6.2346 6.2346 6.2529 6.2529 6.4381 6.4381 6.5092 6.5092 6.8075 6.8075 6.8262 6.8262 7.0007 7.0007 7.0280 7.0280 7.2796 7.2796 7.3220 7.3220 7.6255 7.6255 7.6275 7.6275 7.8165 7.8165 7.9188 7.9188 7.9341 7.9341 8.0493 8.0493 8.3131 8.3131 8.4843 8.4843 8.8210 8.8210 8.8834 8.8834 9.9942 9.9942 10.0308 10.0308 10.1757 10.1757 10.2166 10.2166 11.3264 11.3264 11.3444 11.3444 11.9395 11.9395 12.0836 12.0836 12.6799 12.6799 12.7738 12.7738 12.8691 12.8691 12.8983 12.8983 13.3861 13.3861 13.4140 13.4140 k = 0.5000 0.5000 0.2083 ( 9684 PWs) bands (ev): -16.8068 -16.8068 -16.8067 -16.8067 -16.7699 -16.7699 -16.7699 -16.7699 -3.6500 -3.6500 -3.6391 -3.6391 -3.5866 -3.5866 -3.5733 -3.5733 -1.9257 -1.9257 -1.8801 -1.8801 -1.8166 -1.8166 -1.7156 -1.7156 -1.6109 -1.6109 -1.5217 -1.5217 -1.3420 -1.3420 -1.3232 -1.3232 2.5059 2.5059 2.5178 2.5178 2.7473 2.7473 2.7626 2.7626 5.6861 5.6861 5.7185 5.7185 5.9158 5.9158 5.9372 5.9372 6.2360 6.2360 6.2554 6.2554 6.4388 6.4388 6.5122 6.5122 6.8084 6.8084 6.8284 6.8284 6.9860 6.9860 7.0188 7.0188 7.2700 7.2700 7.3116 7.3116 7.6163 7.6163 7.6207 7.6207 7.8057 7.8057 7.9143 7.9143 7.9297 7.9297 8.0480 8.0480 8.2977 8.2977 8.4705 8.4705 8.7803 8.7803 8.8510 8.8510 10.0478 10.0478 10.0983 10.0983 10.2511 10.2511 10.2889 10.2889 11.2963 11.2963 11.3139 11.3139 11.8729 11.8729 12.0210 12.0210 12.6555 12.6555 12.7661 12.7661 12.8827 12.8827 12.8973 12.8973 13.3929 13.3929 13.4214 13.4214 k = 0.5000 0.5000 0.2292 ( 9704 PWs) bands (ev): -16.8058 -16.8058 -16.8058 -16.8058 -16.7709 -16.7709 -16.7708 -16.7708 -3.6499 -3.6499 -3.6385 -3.6385 -3.5893 -3.5893 -3.5745 -3.5745 -1.9313 -1.9313 -1.8781 -1.8781 -1.8178 -1.8178 -1.7215 -1.7215 -1.6005 -1.6005 -1.5142 -1.5142 -1.3471 -1.3471 -1.3258 -1.3258 2.5149 2.5149 2.5278 2.5278 2.7460 2.7460 2.7627 2.7627 5.6937 5.6937 5.7310 5.7310 5.9187 5.9187 5.9436 5.9436 6.2388 6.2388 6.2592 6.2592 6.4401 6.4401 6.5143 6.5143 6.8095 6.8095 6.8303 6.8303 6.9712 6.9712 7.0100 7.0100 7.2609 7.2609 7.3007 7.3007 7.6054 7.6054 7.6126 7.6126 7.7949 7.7949 7.9107 7.9107 7.9236 7.9236 8.0441 8.0441 8.2869 8.2869 8.4572 8.4572 8.7398 8.7398 8.8186 8.8186 10.1032 10.1032 10.1675 10.1675 10.3287 10.3287 10.3636 10.3636 11.2678 11.2678 11.2849 11.2849 11.8068 11.8068 11.9583 11.9583 12.6239 12.6239 12.7418 12.7418 12.8981 12.8981 12.9079 12.9079 13.4016 13.4016 13.4302 13.4302 k = 0.5000 0.5000 0.2500 ( 9740 PWs) bands (ev): -16.8048 -16.8048 -16.8047 -16.8047 -16.7719 -16.7719 -16.7719 -16.7719 -3.6497 -3.6497 -3.6378 -3.6378 -3.5921 -3.5921 -3.5758 -3.5758 -1.9369 -1.9369 -1.8757 -1.8757 -1.8185 -1.8185 -1.7282 -1.7282 -1.5891 -1.5891 -1.5067 -1.5067 -1.3527 -1.3527 -1.3286 -1.3286 2.5245 2.5245 2.5383 2.5383 2.7442 2.7442 2.7622 2.7622 5.7014 5.7014 5.7438 5.7438 5.9211 5.9211 5.9495 5.9495 6.2431 6.2431 6.2645 6.2645 6.4420 6.4420 6.5155 6.5155 6.8108 6.8108 6.8317 6.8317 6.9565 6.9565 7.0019 7.0019 7.2528 7.2528 7.2896 7.2896 7.5927 7.5927 7.6031 7.6031 7.7843 7.7843 7.9080 7.9080 7.9161 7.9161 8.0378 8.0378 8.2807 8.2807 8.4445 8.4445 8.6999 8.6999 8.7866 8.7866 10.1601 10.1601 10.2376 10.2376 10.4073 10.4073 10.4399 10.4399 11.2415 11.2415 11.2580 11.2580 11.7416 11.7416 11.8960 11.8960 12.5875 12.5875 12.7083 12.7083 12.9118 12.9118 12.9228 12.9228 13.4125 13.4125 13.4405 13.4405 k = 0.5000 0.5000 0.2708 ( 9724 PWs) bands (ev): -16.8036 -16.8036 -16.8036 -16.8036 -16.7730 -16.7730 -16.7730 -16.7730 -3.6492 -3.6492 -3.6371 -3.6371 -3.5950 -3.5950 -3.5773 -3.5773 -1.9423 -1.9423 -1.8730 -1.8730 -1.8190 -1.8190 -1.7356 -1.7356 -1.5773 -1.5773 -1.4995 -1.4995 -1.3586 -1.3586 -1.3315 -1.3315 2.5348 2.5348 2.5494 2.5494 2.7418 2.7418 2.7610 2.7610 5.7089 5.7089 5.7569 5.7569 5.9226 5.9226 5.9546 5.9546 6.2493 6.2493 6.2715 6.2715 6.4442 6.4442 6.5157 6.5157 6.8121 6.8121 6.8324 6.8324 6.9423 6.9423 6.9949 6.9949 7.2459 7.2459 7.2788 7.2788 7.5777 7.5777 7.5919 7.5919 7.7743 7.7743 7.9059 7.9059 7.9076 7.9076 8.0294 8.0294 8.2785 8.2785 8.4328 8.4328 8.6613 8.6613 8.7553 8.7553 10.2180 10.2180 10.3080 10.3080 10.4857 10.4857 10.5167 10.5167 11.2179 11.2179 11.2340 11.2340 11.6781 11.6781 11.8348 11.8348 12.5488 12.5488 12.6708 12.6708 12.9212 12.9212 12.9361 12.9361 13.4260 13.4260 13.4527 13.4527 k = 0.5000 0.5000 0.2917 ( 9720 PWs) bands (ev): -16.8025 -16.8025 -16.8024 -16.8024 -16.7742 -16.7742 -16.7741 -16.7741 -3.6486 -3.6486 -3.6364 -3.6364 -3.5981 -3.5981 -3.5788 -3.5788 -1.9474 -1.9474 -1.8699 -1.8699 -1.8193 -1.8193 -1.7432 -1.7432 -1.5652 -1.5652 -1.4924 -1.4924 -1.3650 -1.3650 -1.3346 -1.3346 2.5456 2.5456 2.5610 2.5610 2.7387 2.7387 2.7591 2.7591 5.7163 5.7163 5.7702 5.7702 5.9232 5.9232 5.9584 5.9584 6.2577 6.2577 6.2804 6.2804 6.4466 6.4466 6.5146 6.5146 6.8136 6.8136 6.8325 6.8325 6.9287 6.9287 6.9890 6.9890 7.2407 7.2407 7.2686 7.2686 7.5604 7.5604 7.5786 7.5786 7.7654 7.7654 7.8988 7.8988 7.9044 7.9044 8.0195 8.0195 8.2796 8.2796 8.4222 8.4222 8.6242 8.6242 8.7251 8.7251 10.2766 10.2766 10.3778 10.3778 10.5624 10.5624 10.5931 10.5931 11.1976 11.1976 11.2135 11.2135 11.6167 11.6167 11.7751 11.7751 12.5097 12.5097 12.6329 12.6329 12.9239 12.9239 12.9443 12.9443 13.4424 13.4424 13.4674 13.4674 k = 0.5000 0.5000 0.3125 ( 9724 PWs) bands (ev): -16.8012 -16.8012 -16.8012 -16.8012 -16.7754 -16.7754 -16.7754 -16.7754 -3.6477 -3.6477 -3.6356 -3.6356 -3.6012 -3.6012 -3.5803 -3.5803 -1.9522 -1.9522 -1.8664 -1.8664 -1.8195 -1.8195 -1.7510 -1.7510 -1.5530 -1.5530 -1.4857 -1.4857 -1.3717 -1.3717 -1.3377 -1.3377 2.5569 2.5569 2.5729 2.5729 2.7348 2.7348 2.7564 2.7564 5.7234 5.7234 5.7836 5.7836 5.9228 5.9228 5.9605 5.9605 6.2682 6.2682 6.2911 6.2911 6.4489 6.4489 6.5123 6.5123 6.8151 6.8151 6.8321 6.8321 6.9160 6.9160 6.9843 6.9843 7.2375 7.2375 7.2595 7.2595 7.5407 7.5407 7.5629 7.5629 7.7578 7.7578 7.8905 7.8905 7.9031 7.9031 8.0084 8.0084 8.2834 8.2834 8.4127 8.4127 8.5892 8.5892 8.6963 8.6963 10.3354 10.3354 10.4463 10.4463 10.6357 10.6357 10.6677 10.6677 11.1808 11.1808 11.1969 11.1969 11.5580 11.5580 11.7169 11.7169 12.4722 12.4722 12.5967 12.5967 12.9181 12.9181 12.9449 12.9449 13.4621 13.4621 13.4850 13.4850 k = 0.5000 0.5000 0.3333 ( 9724 PWs) bands (ev): -16.7999 -16.7999 -16.7999 -16.7999 -16.7767 -16.7767 -16.7766 -16.7766 -3.6466 -3.6466 -3.6348 -3.6348 -3.6045 -3.6045 -3.5819 -3.5819 -1.9566 -1.9566 -1.8626 -1.8626 -1.8195 -1.8195 -1.7590 -1.7590 -1.5408 -1.5408 -1.4792 -1.4792 -1.3788 -1.3788 -1.3409 -1.3409 2.5686 2.5686 2.5851 2.5851 2.7302 2.7302 2.7529 2.7529 5.7302 5.7302 5.7971 5.7971 5.9214 5.9214 5.9608 5.9608 6.2811 6.2811 6.3035 6.3035 6.4508 6.4508 6.5085 6.5085 6.8167 6.8167 6.8313 6.8313 6.9043 6.9043 6.9806 6.9806 7.2367 7.2367 7.2521 7.2521 7.5189 7.5189 7.5448 7.5448 7.7516 7.7516 7.8832 7.8832 7.9020 7.9020 7.9962 7.9962 8.2892 8.2892 8.4044 8.4044 8.5564 8.5564 8.6693 8.6693 10.3941 10.3941 10.5126 10.5126 10.7036 10.7036 10.7396 10.7396 11.1681 11.1681 11.1847 11.1847 11.5025 11.5025 11.6603 11.6603 12.4382 12.4382 12.5642 12.5642 12.9029 12.9029 12.9361 12.9361 13.4850 13.4850 13.5060 13.5060 k = 0.5000 0.5000 0.3542 ( 9716 PWs) bands (ev): -16.7986 -16.7986 -16.7985 -16.7985 -16.7780 -16.7780 -16.7780 -16.7780 -3.6453 -3.6453 -3.6339 -3.6339 -3.6077 -3.6077 -3.5835 -3.5835 -1.9605 -1.9605 -1.8584 -1.8584 -1.8195 -1.8195 -1.7669 -1.7669 -1.5287 -1.5287 -1.4731 -1.4731 -1.3863 -1.3863 -1.3441 -1.3441 2.5806 2.5806 2.5974 2.5974 2.7247 2.7247 2.7486 2.7486 5.7366 5.7366 5.8106 5.8106 5.9192 5.9192 5.9591 5.9591 6.2959 6.2959 6.3173 6.3173 6.4520 6.4520 6.5032 6.5032 6.8184 6.8184 6.8308 6.8308 6.8936 6.8936 6.9774 6.9774 7.2387 7.2387 7.2469 7.2469 7.4952 7.4952 7.5242 7.5242 7.7467 7.7467 7.8775 7.8775 7.9010 7.9010 7.9834 7.9834 8.2965 8.2965 8.3974 8.3974 8.5260 8.5260 8.6445 8.6445 10.4522 10.4522 10.5756 10.5756 10.7636 10.7636 10.8078 10.8078 11.1598 11.1598 11.1771 11.1771 11.4509 11.4509 11.6052 11.6052 12.4097 12.4097 12.5374 12.5374 12.8781 12.8781 12.9172 12.9172 13.5110 13.5110 13.5307 13.5307 k = 0.5000 0.5000 0.3750 ( 9708 PWs) bands (ev): -16.7972 -16.7972 -16.7971 -16.7971 -16.7794 -16.7794 -16.7794 -16.7794 -3.6438 -3.6438 -3.6331 -3.6331 -3.6110 -3.6110 -3.5850 -3.5850 -1.9641 -1.9641 -1.8538 -1.8538 -1.8194 -1.8194 -1.7748 -1.7748 -1.5166 -1.5166 -1.4675 -1.4675 -1.3942 -1.3942 -1.3472 -1.3472 2.5928 2.5928 2.6097 2.6097 2.7184 2.7184 2.7434 2.7434 5.7426 5.7426 5.8241 5.8241 5.9163 5.9163 5.9555 5.9555 6.3125 6.3125 6.3321 6.3321 6.4523 6.4523 6.4964 6.4964 6.8204 6.8204 6.8307 6.8307 6.8839 6.8839 6.9742 6.9742 7.2438 7.2438 7.2446 7.2446 7.4700 7.4700 7.5012 7.5012 7.7430 7.7430 7.8738 7.8738 7.9000 7.9000 7.9700 7.9700 8.3052 8.3052 8.3915 8.3915 8.4981 8.4981 8.6221 8.6221 10.5094 10.5094 10.6336 10.6336 10.8128 10.8128 10.8719 10.8719 11.1567 11.1567 11.1740 11.1740 11.4039 11.4039 11.5513 11.5513 12.3887 12.3887 12.5180 12.5180 12.8443 12.8443 12.8885 12.8885 13.5397 13.5397 13.5586 13.5586 k = 0.5000 0.5000 0.3958 ( 9716 PWs) bands (ev): -16.7957 -16.7957 -16.7957 -16.7957 -16.7808 -16.7808 -16.7808 -16.7808 -3.6420 -3.6420 -3.6323 -3.6323 -3.6144 -3.6144 -3.5864 -3.5864 -1.9671 -1.9671 -1.8489 -1.8489 -1.8194 -1.8194 -1.7826 -1.7826 -1.5048 -1.5048 -1.4625 -1.4625 -1.4025 -1.4025 -1.3501 -1.3501 2.6051 2.6051 2.6219 2.6219 2.7112 2.7112 2.7375 2.7375 5.7480 5.7480 5.8375 5.8375 5.9130 5.9130 5.9500 5.9500 6.3303 6.3303 6.3474 6.3474 6.4511 6.4511 6.4879 6.4879 6.8226 6.8226 6.8316 6.8316 6.8750 6.8750 6.9707 6.9707 7.2456 7.2456 7.2522 7.2522 7.4441 7.4441 7.4763 7.4763 7.7403 7.7403 7.8723 7.8723 7.8990 7.8990 7.9565 7.9565 8.3148 8.3148 8.3867 8.3867 8.4728 8.4728 8.6026 8.6026 10.5652 10.5652 10.6850 10.6850 10.8481 10.8481 10.9322 10.9322 11.1594 11.1594 11.1750 11.1750 11.3622 11.3622 11.4980 11.4980 12.3768 12.3768 12.5077 12.5077 12.8030 12.8030 12.8511 12.8511 13.5703 13.5703 13.5894 13.5894 k = 0.5000 0.5000 0.4167 ( 9712 PWs) bands (ev): -16.7943 -16.7943 -16.7942 -16.7942 -16.7823 -16.7823 -16.7822 -16.7822 -3.6400 -3.6400 -3.6315 -3.6315 -3.6176 -3.6176 -3.5877 -3.5877 -1.9696 -1.9696 -1.8436 -1.8436 -1.8193 -1.8193 -1.7903 -1.7903 -1.4932 -1.4932 -1.4581 -1.4581 -1.4112 -1.4112 -1.3527 -1.3527 2.6173 2.6173 2.6336 2.6336 2.7033 2.7033 2.7310 2.7310 5.7528 5.7528 5.8509 5.8509 5.9097 5.9097 5.9429 5.9429 6.3489 6.3489 6.3628 6.3628 6.4483 6.4483 6.4779 6.4779 6.8253 6.8253 6.8333 6.8333 6.8669 6.8669 6.9667 6.9667 7.2500 7.2500 7.2641 7.2641 7.4181 7.4181 7.4499 7.4499 7.7385 7.7385 7.8730 7.8730 7.8981 7.8981 7.9430 7.9430 8.3254 8.3254 8.3831 8.3831 8.4498 8.4498 8.5861 8.5861 10.6190 10.6190 10.7280 10.7280 10.8673 10.8673 10.9899 10.9899 11.1680 11.1680 11.1789 11.1789 11.3263 11.3263 11.4450 11.4450 12.3750 12.3750 12.5075 12.5075 12.7566 12.7566 12.8068 12.8068 13.6021 13.6021 13.6221 13.6221 k = 0.5000 0.5000 0.4375 ( 9704 PWs) bands (ev): -16.7928 -16.7928 -16.7928 -16.7928 -16.7837 -16.7837 -16.7837 -16.7837 -3.6378 -3.6378 -3.6309 -3.6309 -3.6209 -3.6209 -3.5887 -3.5887 -1.9715 -1.9715 -1.8380 -1.8380 -1.8192 -1.8192 -1.7978 -1.7978 -1.4818 -1.4818 -1.4545 -1.4545 -1.4202 -1.4202 -1.3549 -1.3549 2.6295 2.6295 2.6446 2.6446 2.6945 2.6945 2.7242 2.7242 5.7567 5.7567 5.8641 5.8641 5.9066 5.9066 5.9343 5.9343 6.3678 6.3678 6.3778 6.3778 6.4437 6.4437 6.4662 6.4662 6.8284 6.8284 6.8358 6.8358 6.8596 6.8596 6.9624 6.9624 7.2578 7.2578 7.2793 7.2793 7.3928 7.3928 7.4227 7.4227 7.7373 7.7373 7.8759 7.8759 7.8974 7.8974 7.9300 7.9300 8.3369 8.3369 8.3804 8.3804 8.4289 8.4289 8.5730 8.5730 10.6705 10.6705 10.7613 10.7613 10.8701 10.8701 11.0459 11.0459 11.1813 11.1813 11.1845 11.1845 11.2963 11.2963 11.3916 11.3916 12.3831 12.3831 12.5183 12.5183 12.7081 12.7081 12.7580 12.7580 13.6343 13.6343 13.6559 13.6559 k = 0.5000 0.5000 0.4583 ( 9728 PWs) bands (ev): -16.7913 -16.7913 -16.7913 -16.7913 -16.7852 -16.7852 -16.7852 -16.7852 -3.6354 -3.6354 -3.6304 -3.6304 -3.6240 -3.6240 -3.5895 -3.5895 -1.9729 -1.9729 -1.8320 -1.8320 -1.8192 -1.8192 -1.8052 -1.8052 -1.4707 -1.4707 -1.4518 -1.4518 -1.4296 -1.4296 -1.3566 -1.3566 2.6414 2.6414 2.6543 2.6543 2.6851 2.6851 2.7175 2.7175 5.7597 5.7597 5.8771 5.8771 5.9042 5.9042 5.9244 5.9244 6.3865 6.3865 6.3921 6.3921 6.4371 6.4371 6.4529 6.4529 6.8321 6.8321 6.8384 6.8384 6.8529 6.8529 6.9585 6.9585 7.2682 7.2682 7.2977 7.2977 7.3696 7.3696 7.3953 7.3953 7.7365 7.7365 7.8808 7.8808 7.8968 7.8968 7.9177 7.9177 8.3493 8.3493 8.3785 8.3785 8.4100 8.4100 8.5635 8.5635 10.7189 10.7189 10.7845 10.7845 10.8584 10.8584 11.1005 11.1005 11.1908 11.1908 11.1973 11.1973 11.2715 11.2715 11.3377 11.3377 12.3989 12.3989 12.5399 12.5399 12.6622 12.6622 12.7074 12.7074 13.6658 13.6658 13.6899 13.6899 k = 0.5000 0.5000 0.4792 ( 9772 PWs) bands (ev): -16.7898 -16.7898 -16.7897 -16.7897 -16.7867 -16.7867 -16.7867 -16.7867 -3.6328 -3.6328 -3.6301 -3.6301 -3.6271 -3.6271 -3.5900 -3.5900 -1.9738 -1.9738 -1.8257 -1.8257 -1.8191 -1.8191 -1.8123 -1.8123 -1.4600 -1.4600 -1.4501 -1.4501 -1.4394 -1.4394 -1.3577 -1.3577 2.6530 2.6530 2.6614 2.6614 2.6750 2.6750 2.7121 2.7121 5.7616 5.7616 5.8898 5.8898 5.9026 5.9026 5.9136 5.9136 6.4047 6.4047 6.4051 6.4051 6.4289 6.4289 6.4381 6.4381 6.8363 6.8363 6.8405 6.8405 6.8467 6.8467 6.9556 6.9556 7.2791 7.2791 7.3190 7.3190 7.3509 7.3509 7.3684 7.3684 7.7362 7.7362 7.8877 7.8877 7.8964 7.8964 7.9063 7.9063 8.3627 8.3627 8.3775 8.3775 8.3928 8.3928 8.5577 8.5577 10.7632 10.7632 10.7981 10.7981 10.8350 10.8350 11.1491 11.1491 11.2010 11.2010 11.2144 11.2144 11.2506 11.2506 11.2838 11.2838 12.4164 12.4164 12.5715 12.5715 12.6261 12.6261 12.6576 12.6576 13.6946 13.6946 13.7234 13.7234 k = 0.5000 0.5000 0.5000 ( 9808 PWs) bands (ev): -16.7883 -16.7883 -16.7883 -16.7883 -16.7883 -16.7883 -16.7882 -16.7882 -3.6300 -3.6300 -3.6300 -3.6300 -3.6300 -3.6300 -3.5902 -3.5902 -1.9741 -1.9741 -1.8191 -1.8191 -1.8191 -1.8191 -1.8191 -1.8191 -1.4495 -1.4495 -1.4495 -1.4495 -1.4495 -1.4495 -1.3581 -1.3581 2.6642 2.6642 2.6642 2.6642 2.6642 2.6642 2.7099 2.7099 5.7622 5.7622 5.9020 5.9020 5.9020 5.9020 5.9020 5.9020 6.4137 6.4137 6.4220 6.4220 6.4220 6.4220 6.4220 6.4220 6.8412 6.8412 6.8412 6.8412 6.8412 6.8412 6.9545 6.9545 7.2845 7.2845 7.3428 7.3428 7.3428 7.3428 7.3428 7.3428 7.7360 7.7360 7.8962 7.8962 7.8962 7.8962 7.8962 7.8962 8.3771 8.3771 8.3771 8.3771 8.3771 8.3771 8.5557 8.5557 10.8025 10.8025 10.8025 10.8025 10.8025 10.8025 11.1694 11.1694 11.2320 11.2320 11.2320 11.2320 11.2320 11.2320 11.2341 11.2341 12.4247 12.4247 12.6115 12.6115 12.6115 12.6115 12.6115 12.6115 13.7106 13.7106 13.7556 13.7556 Writing output data file BaSiPt.save init_run : 2.21s CPU 1.83s WALL ( 1 calls) electrons : 1531.44s CPU 1450.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.40s CPU 0.72s WALL ( 1 calls) Called by electrons: c_bands : 1531.43s CPU 1450.93s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.04s WALL ( 1 calls) newd : 0.79s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.30s CPU 0.37s WALL ( 188 calls) cegterg : 1391.78s CPU 1359.71s WALL ( 390 calls) Called by sum_band: Called by *egterg: h_psi : 834.30s CPU 751.64s WALL ( 6250 calls) s_psi : 34.33s CPU 33.77s WALL ( 6250 calls) g_psi : 0.42s CPU 0.49s WALL ( 5672 calls) cdiaghg : 546.74s CPU 548.03s WALL ( 5860 calls) cegterg:over : 51.06s CPU 50.98s WALL ( 5672 calls) cegterg:upda : 24.45s CPU 24.69s WALL ( 5672 calls) cegterg:last : 15.23s CPU 15.17s WALL ( 954 calls) cdiaghg:chol : 16.04s CPU 16.43s WALL ( 5860 calls) cdiaghg:inve : 13.70s CPU 13.73s WALL ( 5860 calls) cdiaghg:para : 41.68s CPU 42.39s WALL ( 11720 calls) Called by h_psi: h_psi:vloc : 755.32s CPU 674.04s WALL ( 6250 calls) h_psi:vnl : 78.35s CPU 77.03s WALL ( 6250 calls) add_vuspsi : 38.74s CPU 37.87s WALL ( 6250 calls) General routines calbec : 39.55s CPU 39.13s WALL ( 6250 calls) fft : 0.19s CPU 0.12s WALL ( 19 calls) ffts : 0.04s CPU 0.02s WALL ( 4 calls) fftw : 738.28s CPU 657.37s WALL ( 1412952 calls) interpolate : 0.07s CPU 0.04s WALL ( 4 calls) davcio : 0.30s CPU 1.64s WALL ( 376 calls) Parallel routines fft_scatter : 568.98s CPU 554.00s WALL ( 1412975 calls) PWSCF : 27m33.50s CPU 27m 5.19s WALL This run was terminated on: 21: 3:35 20Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=